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HBADMO Cn1ncc2c1ncn(CC(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)c2=O ZINC000023895597 1068932095 /nfs/dbraw/zinc/93/20/95/1068932095.db2.gz IPPDRYADBGHVJV-UHFFFAOYSA-N 1 1 411.470 -0.752 20 0 HBADMO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000023895600 1068932076 /nfs/dbraw/zinc/93/20/76/1068932076.db2.gz QTSWAFKLRXIMRI-UHFFFAOYSA-N 1 1 423.477 -0.192 20 0 HBADMO CS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000023895683 1068932149 /nfs/dbraw/zinc/93/21/49/1068932149.db2.gz GGCHMPINMAQOQO-UHFFFAOYSA-N 1 1 410.544 -0.224 20 0 HBADMO CCN(C(=O)C[N@H+]1CCC[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023991941 1068710955 /nfs/dbraw/zinc/71/09/55/1068710955.db2.gz HYUPJDBDFVBKRW-OAHLLOKOSA-N 1 1 401.467 -0.023 20 0 HBADMO CCN(C(=O)C[N@@H+]1CCC[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000023991941 1068710942 /nfs/dbraw/zinc/71/09/42/1068710942.db2.gz HYUPJDBDFVBKRW-OAHLLOKOSA-N 1 1 401.467 -0.023 20 0 HBADMO 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JTGUSGXRQSRBSM-UHFFFAOYSA-N 1 1 421.523 -0.168 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000029223311 1071149124 /nfs/dbraw/zinc/14/91/24/1071149124.db2.gz SRXKKFLOIBEPLN-UHFFFAOYSA-N 1 1 422.507 -0.062 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000029224333 1069041088 /nfs/dbraw/zinc/04/10/88/1069041088.db2.gz NVWXTJDKMJESFR-UHFFFAOYSA-N 1 1 401.467 -0.203 20 0 HBADMO Cn1cc(/C=C/C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c(=O)n(C)c1=O ZINC000029278625 1069099566 /nfs/dbraw/zinc/09/95/66/1069099566.db2.gz VDUXFPWUXGEYMF-AATRIKPKSA-N 1 1 413.482 -0.784 20 0 HBADMO CCNC(=O)CN1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000029673004 1070694908 /nfs/dbraw/zinc/69/49/08/1070694908.db2.gz BYCZYDSCGPTVHJ-UHFFFAOYSA-N 1 1 408.503 -0.584 20 0 HBADMO Cn1cnc2c1c(=O)n(CC(=O)NCCC[N@H+]1CCc3ccccc3C1)c(=O)n2C ZINC000029838294 1068599897 /nfs/dbraw/zinc/59/98/97/1068599897.db2.gz FFCNTLHDEJKZFY-UHFFFAOYSA-N 1 1 410.478 -0.002 20 0 HBADMO Cn1c2ncn(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000029838912 1068599693 /nfs/dbraw/zinc/59/96/93/1068599693.db2.gz PVHSGCCFWXIOSG-UHFFFAOYSA-N 1 1 410.478 -0.002 20 0 HBADMO CC[N@@H+](CCO)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000029839199 1069045491 /nfs/dbraw/zinc/04/54/91/1069045491.db2.gz YJPXSIPFXRZRCY-UHFFFAOYSA-N 1 1 401.485 -0.031 20 0 HBADMO CC[N@H+](CCO)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000029839199 1069045481 /nfs/dbraw/zinc/04/54/81/1069045481.db2.gz YJPXSIPFXRZRCY-UHFFFAOYSA-N 1 1 401.485 -0.031 20 0 HBADMO CC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000029840051 1069045367 /nfs/dbraw/zinc/04/53/67/1069045367.db2.gz KBZRQLSAWLBIOP-UHFFFAOYSA-N 1 1 415.512 -0.149 20 0 HBADMO CC[N@@H+](CCO)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000029840056 1069045303 /nfs/dbraw/zinc/04/53/03/1069045303.db2.gz HDRZOKGOUUYFHM-UHFFFAOYSA-N 1 1 415.512 -0.149 20 0 HBADMO Cc1cc(CN2CC[NH+](CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)on1 ZINC000029967309 1069045445 /nfs/dbraw/zinc/04/54/45/1069045445.db2.gz ULAKDIKMMRBFDI-UHFFFAOYSA-N 1 1 401.471 -0.062 20 0 HBADMO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(CC(=O)N3CCCC3)CC1)c(=O)n2C ZINC000029976409 1069046231 /nfs/dbraw/zinc/04/62/31/1069046231.db2.gz VKGVGOUORBGNMH-UHFFFAOYSA-N 1 1 417.514 -0.936 20 0 HBADMO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000030278546 1069046039 /nfs/dbraw/zinc/04/60/39/1069046039.db2.gz CCCHKOBRUHKKDF-UHFFFAOYSA-N 1 1 408.524 -0.017 20 0 HBADMO Cn1c2ncn(CCC(=O)NCC[N@H+]3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000030318074 1069046871 /nfs/dbraw/zinc/04/68/71/1069046871.db2.gz JTSHOJBBUXXDPT-UHFFFAOYSA-N 1 1 410.478 -0.002 20 0 HBADMO CN(C)S(=O)(=O)c1c[nH]c(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000030597253 1069104357 /nfs/dbraw/zinc/10/43/57/1069104357.db2.gz ZDLBUTPXICXLJE-UHFFFAOYSA-N 1 1 421.527 -0.003 20 0 HBADMO O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030644070 1069048199 /nfs/dbraw/zinc/04/81/99/1069048199.db2.gz WPLFANQXKYYURG-UHFFFAOYSA-N 1 1 415.498 -0.031 20 0 HBADMO Cc1nc2nc(N)nn2c(C)c1CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030645005 1069048027 /nfs/dbraw/zinc/04/80/27/1069048027.db2.gz LREDSZFPGLUJIE-UHFFFAOYSA-N 1 1 424.513 -0.016 20 0 HBADMO O=C(Cn1nnc2ccccc2c1=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030645268 1069048116 /nfs/dbraw/zinc/04/81/16/1069048116.db2.gz ZUGWFVXZVFFXKS-UHFFFAOYSA-N 1 1 408.466 -0.090 20 0 HBADMO Cn1cc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030645573 1069047896 /nfs/dbraw/zinc/04/78/96/1069047896.db2.gz WZGIHIIIRFUXQK-UHFFFAOYSA-N 1 1 407.500 -0.595 20 0 HBADMO Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000030645581 1071556247 /nfs/dbraw/zinc/55/62/47/1071556247.db2.gz FRRFEKXYXCGKHS-UHFFFAOYSA-N 1 1 401.471 -0.577 20 0 HBADMO C[C@H](C(=O)NC1CC1)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000030710241 1069049349 /nfs/dbraw/zinc/04/93/49/1069049349.db2.gz OWTQTXLWSHPEHT-CQSZACIVSA-N 1 1 417.514 -0.892 20 0 HBADMO C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000030710246 1069049397 /nfs/dbraw/zinc/04/93/97/1069049397.db2.gz OWTQTXLWSHPEHT-AWEZNQCLSA-N 1 1 417.514 -0.892 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)N(C)C)CC2)CC1 ZINC000031160013 1069018013 /nfs/dbraw/zinc/01/80/13/1069018013.db2.gz WCIYIFVVSXJXAZ-UHFFFAOYSA-N 1 1 418.564 -0.889 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000031160162 1069050154 /nfs/dbraw/zinc/05/01/54/1069050154.db2.gz QADTZSZPYGWKOD-UHFFFAOYSA-N 1 1 403.549 -0.300 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 ZINC000031932236 1069054965 /nfs/dbraw/zinc/05/49/65/1069054965.db2.gz DIPQWVCMYRNLLA-UHFFFAOYSA-N 1 1 411.528 -0.143 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000031932277 1069054995 /nfs/dbraw/zinc/05/49/95/1069054995.db2.gz COUFUESDKGJZSE-UHFFFAOYSA-N 1 1 416.482 -0.647 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000031932431 1069055021 /nfs/dbraw/zinc/05/50/21/1069055021.db2.gz VFOZKTUTTHEQGK-UHFFFAOYSA-N 1 1 416.482 -0.647 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)CC1 ZINC000031932511 1069054888 /nfs/dbraw/zinc/05/48/88/1069054888.db2.gz QFPHBZHQXCXDQE-UHFFFAOYSA-N 1 1 401.467 -0.203 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)CC1 ZINC000031932808 1069055048 /nfs/dbraw/zinc/05/50/48/1069055048.db2.gz WAEJDFZGURDMLE-UHFFFAOYSA-N 1 1 402.503 -0.027 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000031932984 1070672583 /nfs/dbraw/zinc/67/25/83/1070672583.db2.gz BIGOKCBGOCUDRI-UHFFFAOYSA-N 1 1 409.512 -0.409 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000032268157 1071672789 /nfs/dbraw/zinc/67/27/89/1071672789.db2.gz ZMZGUIWIZQXNKS-CABCVRRESA-N 1 1 414.528 -0.375 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C1 ZINC000032268158 1071672738 /nfs/dbraw/zinc/67/27/38/1071672738.db2.gz ZMZGUIWIZQXNKS-HUUCEWRRSA-N 1 1 414.528 -0.375 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000032268667 1069916616 /nfs/dbraw/zinc/91/66/16/1069916616.db2.gz VGAIGOKGMRVUDK-NSHDSACASA-N 1 1 403.277 -0.228 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)C1 ZINC000032268668 1069916382 /nfs/dbraw/zinc/91/63/82/1069916382.db2.gz VGAIGOKGMRVUDK-LLVKDONJSA-N 1 1 403.277 -0.228 20 0 HBADMO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032333853 1069174302 /nfs/dbraw/zinc/17/43/02/1069174302.db2.gz UIOQYPIVXBLCLK-MRXNPFEDSA-N 1 1 410.544 -0.081 20 0 HBADMO CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032333854 1069174376 /nfs/dbraw/zinc/17/43/76/1069174376.db2.gz UIOQYPIVXBLCLK-INIZCTEOSA-N 1 1 410.544 -0.081 20 0 HBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000032334083 1069055781 /nfs/dbraw/zinc/05/57/81/1069055781.db2.gz DDPWCAPFDJDKBI-UHFFFAOYSA-N 1 1 409.450 -0.052 20 0 HBADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@@H](C)O1 ZINC000032459103 1069621612 /nfs/dbraw/zinc/62/16/12/1069621612.db2.gz NFYIQUZSHVXOET-CHWSQXEVSA-N 1 1 406.487 -0.562 20 0 HBADMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H](C)O1 ZINC000032459106 1069621730 /nfs/dbraw/zinc/62/17/30/1069621730.db2.gz NFYIQUZSHVXOET-BETUJISGSA-N 1 1 406.487 -0.562 20 0 HBADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H](C)O1 ZINC000032459106 1069621726 /nfs/dbraw/zinc/62/17/26/1069621726.db2.gz NFYIQUZSHVXOET-BETUJISGSA-N 1 1 406.487 -0.562 20 0 HBADMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C[C@H](C)O1 ZINC000032459111 1069621681 /nfs/dbraw/zinc/62/16/81/1069621681.db2.gz NFYIQUZSHVXOET-STQMWFEESA-N 1 1 406.487 -0.562 20 0 HBADMO O=C(CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000032693720 1069189581 /nfs/dbraw/zinc/18/95/81/1069189581.db2.gz CQEQXFCINYRPQP-GOSISDBHSA-N 1 1 422.551 -0.386 20 0 HBADMO O=C(CCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC000032693722 1069189615 /nfs/dbraw/zinc/18/96/15/1069189615.db2.gz CQEQXFCINYRPQP-SFHVURJKSA-N 1 1 422.551 -0.386 20 0 HBADMO NS(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000032976714 1069059240 /nfs/dbraw/zinc/05/92/40/1069059240.db2.gz MNRFWKHCDKTWDQ-UHFFFAOYSA-N 1 1 411.532 -0.980 20 0 HBADMO CNS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000032976765 1069059132 /nfs/dbraw/zinc/05/91/32/1069059132.db2.gz YZPAHOCOGSHIFT-UHFFFAOYSA-N 1 1 408.484 -0.080 20 0 HBADMO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000032976789 1069059257 /nfs/dbraw/zinc/05/92/57/1069059257.db2.gz HJJDZAGXQGLJRB-UHFFFAOYSA-N 1 1 423.477 -0.192 20 0 HBADMO COc1ccccc1NC(=O)CN1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000039302411 1069061840 /nfs/dbraw/zinc/06/18/40/1069061840.db2.gz DDEGAGCIBJSAHM-UHFFFAOYSA-N 1 1 401.467 -0.151 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCCNS(=O)(=O)Cc2ccccc2)CC1 ZINC000041170409 1069619609 /nfs/dbraw/zinc/61/96/09/1069619609.db2.gz HHNAEWAKBHSEPX-UHFFFAOYSA-N 1 1 411.528 -0.384 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000041171897 1069061716 /nfs/dbraw/zinc/06/17/16/1069061716.db2.gz DQMIFIKSDJOPPJ-UHFFFAOYSA-N 1 1 411.528 -0.054 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)NCCCN(C)S(=O)(=O)CC)CC1 ZINC000041172362 1071491834 /nfs/dbraw/zinc/49/18/34/1071491834.db2.gz KGZQPDYTGSZOSL-UHFFFAOYSA-N 1 1 405.565 -0.052 20 0 HBADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C[C@H](C)O1 ZINC000041275972 1069069881 /nfs/dbraw/zinc/06/98/81/1069069881.db2.gz DVFFLUQTLUOMOF-OKILXGFUSA-N 1 1 419.482 -0.544 20 0 HBADMO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)[NH+]1CCN(C)CC1 ZINC000041330485 1069070792 /nfs/dbraw/zinc/07/07/92/1069070792.db2.gz ADWQRZRFJVSHSV-QGZVFWFLSA-N 1 1 405.499 -0.123 20 0 HBADMO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(OCC(N)=O)cc1)[NH+]1CCN(C)CC1 ZINC000041330488 1069070753 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/nfs/dbraw/zinc/54/90/03/1071549003.db2.gz SJCNHCKKQALGLA-INIZCTEOSA-N 1 1 402.499 -0.366 20 0 HBADMO CC(C)[C@@H](CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[NH+]1CCN(C)CC1 ZINC000303623026 1071549120 /nfs/dbraw/zinc/54/91/20/1071549120.db2.gz SJCNHCKKQALGLA-MRXNPFEDSA-N 1 1 402.499 -0.366 20 0 HBADMO Cc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000303727085 1069182324 /nfs/dbraw/zinc/18/23/24/1069182324.db2.gz CLHNXNQUHOWOQF-CYBMUJFWSA-N 1 1 402.499 -0.446 20 0 HBADMO Cc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000303727087 1069182366 /nfs/dbraw/zinc/18/23/66/1069182366.db2.gz CLHNXNQUHOWOQF-ZDUSSCGKSA-N 1 1 402.499 -0.446 20 0 HBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)CC1 ZINC000409502834 1071929181 /nfs/dbraw/zinc/92/91/81/1071929181.db2.gz QLMRCLZQMXVKGM-UHFFFAOYSA-N 1 1 423.539 -0.237 20 0 HBADMO C[C@@H](C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000409652562 1071937772 /nfs/dbraw/zinc/93/77/72/1071937772.db2.gz 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COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1nn(C)c2ccccc2c1=O ZINC000410172159 1071953780 /nfs/dbraw/zinc/95/37/80/1071953780.db2.gz APBHCLPPYIDCAA-UHFFFAOYSA-N 1 1 401.467 -0.204 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000410196763 1071955423 /nfs/dbraw/zinc/95/54/23/1071955423.db2.gz VCBRULXXEZCRJW-DZGCQCFKSA-N 1 1 403.549 -0.444 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000410196765 1071955547 /nfs/dbraw/zinc/95/55/47/1071955547.db2.gz VCBRULXXEZCRJW-HIFRSBDPSA-N 1 1 403.549 -0.444 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000410196767 1071955347 /nfs/dbraw/zinc/95/53/47/1071955347.db2.gz VCBRULXXEZCRJW-UKRRQHHQSA-N 1 1 403.549 -0.444 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000410196768 1071955530 /nfs/dbraw/zinc/95/55/30/1071955530.db2.gz VCBRULXXEZCRJW-ZFWWWQNUSA-N 1 1 403.549 -0.444 20 0 HBADMO 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/nfs/dbraw/zinc/87/43/20/1069874320.db2.gz YAMXDWGATWWPBL-LZWOXQAQSA-N 1 1 414.466 0.515 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@H]4C3)n2)c1C ZINC000435110858 1069874434 /nfs/dbraw/zinc/87/44/34/1069874434.db2.gz YAMXDWGATWWPBL-OFQRWUPVSA-N 1 1 414.466 0.515 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H]4CC[C@@H](O)[C@@H]4C3)n2)c1C ZINC000435110859 1069874188 /nfs/dbraw/zinc/87/41/88/1069874188.db2.gz YAMXDWGATWWPBL-SQWLQELKSA-N 1 1 414.466 0.515 20 0 HBADMO CCN(C)C(=O)CNC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435111675 1069874670 /nfs/dbraw/zinc/87/46/70/1069874670.db2.gz RALFOCRZZJLCFU-UHFFFAOYSA-N 1 1 403.443 -0.120 20 0 HBADMO CCN1CCN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CC1=O ZINC000435115406 1069874579 /nfs/dbraw/zinc/87/45/79/1069874579.db2.gz ZDEYJLZPODTGMW-UHFFFAOYSA-N 1 1 415.454 -0.024 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3C[C@H](O)C3(C)C)n2)c1C ZINC000435115737 1069874476 /nfs/dbraw/zinc/87/44/76/1069874476.db2.gz JGCQPBATEVXJBP-KBPBESRZSA-N 1 1 402.455 0.561 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3C[C@H](O)C3(C)C)n2)c1C ZINC000435115738 1069874352 /nfs/dbraw/zinc/87/43/52/1069874352.db2.gz JGCQPBATEVXJBP-KGLIPLIRSA-N 1 1 402.455 0.561 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3C[C@@H](O)C3(C)C)n2)c1C ZINC000435115739 1069874618 /nfs/dbraw/zinc/87/46/18/1069874618.db2.gz JGCQPBATEVXJBP-UONOGXRCSA-N 1 1 402.455 0.561 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3C[C@@H](O)C3(C)C)n2)c1C ZINC000435115740 1069874520 /nfs/dbraw/zinc/87/45/20/1069874520.db2.gz JGCQPBATEVXJBP-ZIAGYGMSSA-N 1 1 402.455 0.561 20 0 HBADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC[C@H](O)C3)c2)CC1 ZINC000435157829 1069875861 /nfs/dbraw/zinc/87/58/61/1069875861.db2.gz PAFLVUNUGLGYBC-INIZCTEOSA-N 1 1 424.523 -0.065 20 0 HBADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CCC[C@H](O)C3)c2)CC1 ZINC000435157829 1069875849 /nfs/dbraw/zinc/87/58/49/1069875849.db2.gz PAFLVUNUGLGYBC-INIZCTEOSA-N 1 1 424.523 -0.065 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000435189255 1069881705 /nfs/dbraw/zinc/88/17/05/1069881705.db2.gz ACAQTZRLCQWHKP-CYBMUJFWSA-N 1 1 417.557 -0.026 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000435189256 1069882019 /nfs/dbraw/zinc/88/20/19/1069882019.db2.gz ACAQTZRLCQWHKP-ZDUSSCGKSA-N 1 1 417.557 -0.026 20 0 HBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000435189273 1069881943 /nfs/dbraw/zinc/88/19/43/1069881943.db2.gz AFSYKDVLCSIWGJ-HNNXBMFYSA-N 1 1 411.503 -0.573 20 0 HBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000435189274 1069881779 /nfs/dbraw/zinc/88/17/79/1069881779.db2.gz AFSYKDVLCSIWGJ-OAHLLOKOSA-N 1 1 411.503 -0.573 20 0 HBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000435189905 1069881514 /nfs/dbraw/zinc/88/15/14/1069881514.db2.gz DELYAZKKUWOEQH-INIZCTEOSA-N 1 1 411.547 -0.029 20 0 HBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000435189906 1069881632 /nfs/dbraw/zinc/88/16/32/1069881632.db2.gz DELYAZKKUWOEQH-MRXNPFEDSA-N 1 1 411.547 -0.029 20 0 HBADMO C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000435209192 1069888628 /nfs/dbraw/zinc/88/86/28/1069888628.db2.gz VQFRRCKWSFIIRJ-HRAATJIYSA-N 1 1 420.510 -0.093 20 0 HBADMO C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000435209193 1069888254 /nfs/dbraw/zinc/88/82/54/1069888254.db2.gz VQFRRCKWSFIIRJ-IERDGZPVSA-N 1 1 420.510 -0.093 20 0 HBADMO C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000435209194 1069888319 /nfs/dbraw/zinc/88/83/19/1069888319.db2.gz VQFRRCKWSFIIRJ-IIBYNOLFSA-N 1 1 420.510 -0.093 20 0 HBADMO C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000435209195 1069888527 /nfs/dbraw/zinc/88/85/27/1069888527.db2.gz VQFRRCKWSFIIRJ-KKSFZXQISA-N 1 1 420.510 -0.093 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CCCC(=O)N3)cc2)CC1 ZINC000435217486 1069885632 /nfs/dbraw/zinc/88/56/32/1069885632.db2.gz PLVUDLKSFMLSJL-INIZCTEOSA-N 1 1 401.467 -0.202 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)cc2)CC1 ZINC000435217487 1069885335 /nfs/dbraw/zinc/88/53/35/1069885335.db2.gz PLVUDLKSFMLSJL-MRXNPFEDSA-N 1 1 401.467 -0.202 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3CCCC(=O)N3)cc2)CC1 ZINC000435218410 1069886125 /nfs/dbraw/zinc/88/61/25/1069886125.db2.gz XJNRLKBTFFVQFD-KRWDZBQOSA-N 1 1 415.494 -0.274 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3CCCC(=O)N3)cc2)CC1 ZINC000435218411 1069886494 /nfs/dbraw/zinc/88/64/94/1069886494.db2.gz XJNRLKBTFFVQFD-QGZVFWFLSA-N 1 1 415.494 -0.274 20 0 HBADMO C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000435221827 1069891865 /nfs/dbraw/zinc/89/18/65/1069891865.db2.gz DGCKWBBQUULVJG-BTYIYWSLSA-N 1 1 418.494 -0.402 20 0 HBADMO C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000435221828 1069892318 /nfs/dbraw/zinc/89/23/18/1069892318.db2.gz DGCKWBBQUULVJG-QVKFZJNVSA-N 1 1 418.494 -0.402 20 0 HBADMO C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000435221829 1069891934 /nfs/dbraw/zinc/89/19/34/1069891934.db2.gz DGCKWBBQUULVJG-VFNWGFHPSA-N 1 1 418.494 -0.402 20 0 HBADMO C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000435221830 1069891979 /nfs/dbraw/zinc/89/19/79/1069891979.db2.gz DGCKWBBQUULVJG-YCRPNKLZSA-N 1 1 418.494 -0.402 20 0 HBADMO C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000435222228 1069892186 /nfs/dbraw/zinc/89/21/86/1069892186.db2.gz IFMYPADYHJEENP-JLTOFOAXSA-N 1 1 404.467 -0.331 20 0 HBADMO C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000435222229 1069892057 /nfs/dbraw/zinc/89/20/57/1069892057.db2.gz IFMYPADYHJEENP-VBKZILBWSA-N 1 1 404.467 -0.331 20 0 HBADMO C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000435222230 1069892008 /nfs/dbraw/zinc/89/20/08/1069892008.db2.gz IFMYPADYHJEENP-VLIAUNLRSA-N 1 1 404.467 -0.331 20 0 HBADMO C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000435222231 1069892236 /nfs/dbraw/zinc/89/22/36/1069892236.db2.gz IFMYPADYHJEENP-XOBRGWDASA-N 1 1 404.467 -0.331 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435250403 1069893039 /nfs/dbraw/zinc/89/30/39/1069893039.db2.gz AMGAWESMYLEPOQ-NRFANRHFSA-N 1 1 413.478 -0.249 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@]4(CNC(=O)C4)C3)cc2)CC1 ZINC000435250405 1069892678 /nfs/dbraw/zinc/89/26/78/1069892678.db2.gz AMGAWESMYLEPOQ-OAQYLSRUSA-N 1 1 413.478 -0.249 20 0 HBADMO CCN1CN(C(=O)C(=O)Nc2ncn(Cc3[nH+]cc(C)c(OC)c3C)n2)CC1=O ZINC000435297172 1069900388 /nfs/dbraw/zinc/90/03/88/1069900388.db2.gz HJGVXMLCDBQOKY-UHFFFAOYSA-N 1 1 401.427 -0.066 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)n2)c1C ZINC000435305410 1069899583 /nfs/dbraw/zinc/89/95/83/1069899583.db2.gz GXHTXZFWYKZELD-LBPRGKRZSA-N 1 1 403.443 -0.122 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H](OC)[C@@H](OC)C3)n2)c1C ZINC000435310434 1069899892 /nfs/dbraw/zinc/89/98/92/1069899892.db2.gz OVYANCQUPNGCLL-GASCZTMLSA-N 1 1 418.454 0.158 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@H](OC)[C@@H](OC)C3)n2)c1C ZINC000435310435 1069899678 /nfs/dbraw/zinc/89/96/78/1069899678.db2.gz OVYANCQUPNGCLL-GJZGRUSLSA-N 1 1 418.454 0.158 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@@H](OC)[C@H](OC)C3)n2)c1C ZINC000435310436 1069899513 /nfs/dbraw/zinc/89/95/13/1069899513.db2.gz OVYANCQUPNGCLL-HUUCEWRRSA-N 1 1 418.454 0.158 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3C[C@H](CO)O[C@@H](C)C3)n2)c1C ZINC000435312767 1069901126 /nfs/dbraw/zinc/90/11/26/1069901126.db2.gz BHJUQCNKHVNMFG-GXTWGEPZSA-N 1 1 418.454 -0.106 20 0 HBADMO 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CCN(C)C(=O)[C@H](C)NC(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1 ZINC000435317184 1069901739 /nfs/dbraw/zinc/90/17/39/1069901739.db2.gz BOEPCHZOJWFAPY-ZDUSSCGKSA-N 1 1 417.470 0.268 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](CO)[C@@H]3C)n2)c1C ZINC000435317972 1069902000 /nfs/dbraw/zinc/90/20/00/1069902000.db2.gz XHCOTLSGTCPSBV-KBPBESRZSA-N 1 1 402.455 0.515 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](CO)[C@H]3C)n2)c1C ZINC000435317973 1069901886 /nfs/dbraw/zinc/90/18/86/1069901886.db2.gz XHCOTLSGTCPSBV-KGLIPLIRSA-N 1 1 402.455 0.515 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@H](CO)[C@@H]3C)n2)c1C ZINC000435317974 1069901830 /nfs/dbraw/zinc/90/18/30/1069901830.db2.gz XHCOTLSGTCPSBV-UONOGXRCSA-N 1 1 402.455 0.515 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N3CC[C@H](CO)[C@H]3C)n2)c1C ZINC000435317975 1069902010 /nfs/dbraw/zinc/90/20/10/1069902010.db2.gz XHCOTLSGTCPSBV-ZIAGYGMSSA-N 1 1 402.455 0.515 20 0 HBADMO 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ZINC000435508913 1069914306 /nfs/dbraw/zinc/91/43/06/1069914306.db2.gz ZSYWBOZZRBKXPI-UHFFFAOYSA-N 1 1 415.502 -0.186 20 0 HBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000435515250 1069917506 /nfs/dbraw/zinc/91/75/06/1069917506.db2.gz OTCMQWLTFXAETE-FQEVSTJZSA-N 1 1 420.558 -0.072 20 0 HBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000435515251 1069917188 /nfs/dbraw/zinc/91/71/88/1069917188.db2.gz OTCMQWLTFXAETE-HXUWFJFHSA-N 1 1 420.558 -0.072 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)n1C ZINC000435516827 1069916433 /nfs/dbraw/zinc/91/64/33/1069916433.db2.gz VBWDLLQYTGNVFP-AWEZNQCLSA-N 1 1 402.521 -0.226 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)n1C ZINC000435516828 1069916686 /nfs/dbraw/zinc/91/66/86/1069916686.db2.gz VBWDLLQYTGNVFP-CQSZACIVSA-N 1 1 402.521 -0.226 20 0 HBADMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000435534430 1069291090 /nfs/dbraw/zinc/29/10/90/1069291090.db2.gz 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20 0 HBADMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000435536070 1069917626 /nfs/dbraw/zinc/91/76/26/1069917626.db2.gz SIEOJZYEICYVRS-RBUKOAKNSA-N 1 1 405.495 -0.262 20 0 HBADMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435536072 1069917267 /nfs/dbraw/zinc/91/72/67/1069917267.db2.gz SIEOJZYEICYVRS-RTBURBONSA-N 1 1 405.495 -0.262 20 0 HBADMO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000435536072 1069917253 /nfs/dbraw/zinc/91/72/53/1069917253.db2.gz SIEOJZYEICYVRS-RTBURBONSA-N 1 1 405.495 -0.262 20 0 HBADMO Cc1cc(NC(=O)CN2CCN(C(=O)NCc3c[nH+]c(N(C)C)n3C)CC2)no1 ZINC000435545987 1069597022 /nfs/dbraw/zinc/59/70/22/1069597022.db2.gz NUXAHCQFEFJTJD-UHFFFAOYSA-N 1 1 404.475 0.248 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1C ZINC000435550611 1069918334 /nfs/dbraw/zinc/91/83/34/1069918334.db2.gz ZFXVTIWDKMDKPX-UHFFFAOYSA-N 1 1 424.531 -0.128 20 0 HBADMO 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/nfs/dbraw/zinc/93/92/52/1069939252.db2.gz WRAGGDKAKNLYSN-LJQANCHMSA-N 1 1 408.455 -0.209 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894386 1069941186 /nfs/dbraw/zinc/94/11/86/1069941186.db2.gz SLXZOKKJHLBHOL-CABCVRRESA-N 1 1 417.514 -0.254 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894387 1069941357 /nfs/dbraw/zinc/94/13/57/1069941357.db2.gz SLXZOKKJHLBHOL-GJZGRUSLSA-N 1 1 417.514 -0.254 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894388 1069941299 /nfs/dbraw/zinc/94/12/99/1069941299.db2.gz SLXZOKKJHLBHOL-HUUCEWRRSA-N 1 1 417.514 -0.254 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3c[nH]c(=O)nc3N)CC2)CC1=O ZINC000435894389 1069941388 /nfs/dbraw/zinc/94/13/88/1069941388.db2.gz SLXZOKKJHLBHOL-LSDHHAIUSA-N 1 1 417.514 -0.254 20 0 HBADMO CCOC(=O)CNC(=O)C1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000435911085 1069942013 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1 408.590 -0.148 20 0 HBADMO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@H+]1CC(C)(C)O ZINC000436077835 1069956217 /nfs/dbraw/zinc/95/62/17/1069956217.db2.gz VZTKDYHHWLNWCL-CQSZACIVSA-N 1 1 408.590 -0.148 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000436080638 1069954720 /nfs/dbraw/zinc/95/47/20/1069954720.db2.gz VSNNOYZBGYLCCA-AWEZNQCLSA-N 1 1 408.590 -0.148 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000436080639 1069955477 /nfs/dbraw/zinc/95/54/77/1069955477.db2.gz VSNNOYZBGYLCCA-CQSZACIVSA-N 1 1 408.590 -0.148 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000436135598 1069960146 /nfs/dbraw/zinc/96/01/46/1069960146.db2.gz RIPVQVQSTTURAT-CVEARBPZSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000436135599 1069960285 /nfs/dbraw/zinc/96/02/85/1069960285.db2.gz RIPVQVQSTTURAT-HOTGVXAUSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000436135600 1069960449 /nfs/dbraw/zinc/96/04/49/1069960449.db2.gz RIPVQVQSTTURAT-HZPDHXFCSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000436135601 1069960212 /nfs/dbraw/zinc/96/02/12/1069960212.db2.gz RIPVQVQSTTURAT-JKSUJKDBSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[N@H+]1CC(C)(C)O ZINC000436153742 1069960941 /nfs/dbraw/zinc/96/09/41/1069960941.db2.gz KAOSZUSUBVGXCJ-CVEARBPZSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC[N@H+]1CC(C)(C)O ZINC000436153743 1069961115 /nfs/dbraw/zinc/96/11/15/1069961115.db2.gz KAOSZUSUBVGXCJ-HOTGVXAUSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[N@H+]1CC(C)(C)O ZINC000436153744 1069961090 /nfs/dbraw/zinc/96/10/90/1069961090.db2.gz KAOSZUSUBVGXCJ-HZPDHXFCSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@H]1CN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC[N@H+]1CC(C)(C)O ZINC000436153745 1069960972 /nfs/dbraw/zinc/96/09/72/1069960972.db2.gz KAOSZUSUBVGXCJ-JKSUJKDBSA-N 1 1 420.576 -0.039 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000436199906 1069961754 /nfs/dbraw/zinc/96/17/54/1069961754.db2.gz DDQUHHBMHTXCOC-CYBMUJFWSA-N 1 1 403.505 -0.419 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000436199910 1069962167 /nfs/dbraw/zinc/96/21/67/1069962167.db2.gz DDQUHHBMHTXCOC-ZDUSSCGKSA-N 1 1 403.505 -0.419 20 0 HBADMO C[C@@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[N@H+]1CC(C)(C)O ZINC000436207105 1069963031 /nfs/dbraw/zinc/96/30/31/1069963031.db2.gz WLECRBMBTCQHJD-CYBMUJFWSA-N 1 1 403.505 -0.419 20 0 HBADMO C[C@H]1CN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC[N@H+]1CC(C)(C)O ZINC000436207107 1069962830 /nfs/dbraw/zinc/96/28/30/1069962830.db2.gz WLECRBMBTCQHJD-ZDUSSCGKSA-N 1 1 403.505 -0.419 20 0 HBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH+](CCO)CCO)CC2)c1 ZINC000436207750 1069962801 /nfs/dbraw/zinc/96/28/01/1069962801.db2.gz SWJFIGRAAZXYMP-UHFFFAOYSA-N 1 1 413.496 -0.991 20 0 HBADMO COCc1noc(CN2CCN(C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000436207879 1069962892 /nfs/dbraw/zinc/96/28/92/1069962892.db2.gz HTACBAVXANTSLX-INIZCTEOSA-N 1 1 409.535 -0.073 20 0 HBADMO COCc1noc(CN2CCN(C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000436207880 1069962662 /nfs/dbraw/zinc/96/26/62/1069962662.db2.gz HTACBAVXANTSLX-MRXNPFEDSA-N 1 1 409.535 -0.073 20 0 HBADMO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1 ZINC000436214822 1069965487 /nfs/dbraw/zinc/96/54/87/1069965487.db2.gz BYDHTNWEWCPRDR-UHFFFAOYSA-N 1 1 415.450 -0.593 20 0 HBADMO O=C(CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1)NC(=O)NCC(F)(F)F ZINC000436215883 1069965459 /nfs/dbraw/zinc/96/54/59/1069965459.db2.gz FCLMMWMAXSGQKA-UHFFFAOYSA-N 1 1 421.376 -0.942 20 0 HBADMO COc1cc(C[N@@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1O ZINC000436222311 1069294801 /nfs/dbraw/zinc/29/48/01/1069294801.db2.gz KXKQUEVJTQZFGO-UHFFFAOYSA-N 1 1 420.510 -0.164 20 0 HBADMO COc1cc(C[N@H+](C)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1O ZINC000436222311 1069294790 /nfs/dbraw/zinc/29/47/90/1069294790.db2.gz KXKQUEVJTQZFGO-UHFFFAOYSA-N 1 1 420.510 -0.164 20 0 HBADMO COCc1noc(CN2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000436266244 1069968962 /nfs/dbraw/zinc/96/89/62/1069968962.db2.gz ZUZVMZJGFMOLRI-HNNXBMFYSA-N 1 1 423.518 -0.369 20 0 HBADMO COCc1noc(CN2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000436266247 1069968885 /nfs/dbraw/zinc/96/88/85/1069968885.db2.gz ZUZVMZJGFMOLRI-OAHLLOKOSA-N 1 1 423.518 -0.369 20 0 HBADMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c1 ZINC000436275602 1069295574 /nfs/dbraw/zinc/29/55/74/1069295574.db2.gz PGBTXGGLCCCILX-IBGZPJMESA-N 1 1 418.542 -0.169 20 0 HBADMO Cc1cnn([C@@H]2CCC[N@@H+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)C2)c1 ZINC000436275612 1069295612 /nfs/dbraw/zinc/29/56/12/1069295612.db2.gz PGBTXGGLCCCILX-LJQANCHMSA-N 1 1 418.542 -0.169 20 0 HBADMO CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1=O ZINC000436326423 1069972661 /nfs/dbraw/zinc/97/26/61/1069972661.db2.gz PUCZLXUAICMRET-UHFFFAOYSA-N 1 1 423.539 -0.275 20 0 HBADMO CN1CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1=O ZINC000436326423 1069972649 /nfs/dbraw/zinc/97/26/49/1069972649.db2.gz PUCZLXUAICMRET-UHFFFAOYSA-N 1 1 423.539 -0.275 20 0 HBADMO COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000436354094 1069972556 /nfs/dbraw/zinc/97/25/56/1069972556.db2.gz PHOCFYALPKTXBJ-ZBFHGGJFSA-N 1 1 403.476 -0.356 20 0 HBADMO O=C(CN1CN=NC1=O)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000436425656 1069978042 /nfs/dbraw/zinc/97/80/42/1069978042.db2.gz SDGCIGSJCLCELQ-INIZCTEOSA-N 1 1 412.450 -0.108 20 0 HBADMO O=C(CN1CN=NC1=O)NC1CC[NH+]([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000436425657 1069977931 /nfs/dbraw/zinc/97/79/31/1069977931.db2.gz SDGCIGSJCLCELQ-MRXNPFEDSA-N 1 1 412.450 -0.108 20 0 HBADMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000436439581 1069978705 /nfs/dbraw/zinc/97/87/05/1069978705.db2.gz SOXNFYUHPSPAJL-UHFFFAOYSA-N 1 1 414.451 -0.206 20 0 HBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000436447282 1069980335 /nfs/dbraw/zinc/98/03/35/1069980335.db2.gz KHBSJLMXERSVRA-CYBMUJFWSA-N 1 1 409.516 -0.214 20 0 HBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000436447283 1069980491 /nfs/dbraw/zinc/98/04/91/1069980491.db2.gz KHBSJLMXERSVRA-ZDUSSCGKSA-N 1 1 409.516 -0.214 20 0 HBADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000436508333 1069986095 /nfs/dbraw/zinc/98/60/95/1069986095.db2.gz AKYRIMFFPRWLSF-INIZCTEOSA-N 1 1 412.560 -0.108 20 0 HBADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000436508338 1069985693 /nfs/dbraw/zinc/98/56/93/1069985693.db2.gz AKYRIMFFPRWLSF-MRXNPFEDSA-N 1 1 412.560 -0.108 20 0 HBADMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCOCCS(N)(=O)=O ZINC000436508875 1069985882 /nfs/dbraw/zinc/98/58/82/1069985882.db2.gz BGLWGBGAHMRTSW-INIZCTEOSA-N 1 1 413.544 -0.199 20 0 HBADMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCOCCS(N)(=O)=O ZINC000436508876 1069986015 /nfs/dbraw/zinc/98/60/15/1069986015.db2.gz BGLWGBGAHMRTSW-MRXNPFEDSA-N 1 1 413.544 -0.199 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000436511718 1069986575 /nfs/dbraw/zinc/98/65/75/1069986575.db2.gz JHMFXZDDERVQDQ-HNNXBMFYSA-N 1 1 404.581 -0.512 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000436511726 1069986767 /nfs/dbraw/zinc/98/67/67/1069986767.db2.gz JHMFXZDDERVQDQ-OAHLLOKOSA-N 1 1 404.581 -0.512 20 0 HBADMO NS(=O)(=O)CCOCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000436514549 1069987545 /nfs/dbraw/zinc/98/75/45/1069987545.db2.gz RFJVHQRYJKHKEA-UHFFFAOYSA-N 1 1 400.501 -0.377 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)N2CCC(NS(=O)(=O)NC)CC2)CC1 ZINC000436515066 1069988234 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421.546 0.232 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000438317599 1069599662 /nfs/dbraw/zinc/59/96/62/1069599662.db2.gz JSFCOGZDQSWURZ-UHFFFAOYSA-N 1 1 421.546 0.327 20 0 HBADMO C[C@@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)CN1CC[NH+](C)CC1 ZINC000438319740 1069661769 /nfs/dbraw/zinc/66/17/69/1069661769.db2.gz ANIVDDQLPHDPTB-INIZCTEOSA-N 1 1 407.519 -0.253 20 0 HBADMO C[C@H](CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)CN1CC[NH+](C)CC1 ZINC000438319743 1070128683 /nfs/dbraw/zinc/12/86/83/1070128683.db2.gz ANIVDDQLPHDPTB-MRXNPFEDSA-N 1 1 407.519 -0.253 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438320463 1070128409 /nfs/dbraw/zinc/12/84/09/1070128409.db2.gz JNHPJOUAEXICPS-KRWDZBQOSA-N 1 1 421.546 0.280 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438320466 1070128721 /nfs/dbraw/zinc/12/87/21/1070128721.db2.gz JNHPJOUAEXICPS-QGZVFWFLSA-N 1 1 421.546 0.280 20 0 HBADMO 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ZINC000438674491 1070166563 /nfs/dbraw/zinc/16/65/63/1070166563.db2.gz BDDZDYNJLQMNEK-UHFFFAOYSA-N 1 1 418.541 -0.499 20 0 HBADMO Cn1c2ccc(NC(=O)CCC(=O)NCC[N@H+]3CCCOCC3)nc2n(C)c1=O ZINC000438678446 1069666566 /nfs/dbraw/zinc/66/65/66/1069666566.db2.gz KQLNSAVDMLLSHI-UHFFFAOYSA-N 1 1 404.471 -0.171 20 0 HBADMO O=C(CSCC(=O)NCC[N@H+]1CCCOCC1)NCCN1CCCOCC1 ZINC000438679608 1070168316 /nfs/dbraw/zinc/16/83/16/1070168316.db2.gz MIUPPKMVBQMTON-UHFFFAOYSA-N 1 1 402.561 -0.603 20 0 HBADMO O=C(CSCC(=O)NCC[N@@H+]1CCCOCC1)NCCN1CCCOCC1 ZINC000438679608 1070168309 /nfs/dbraw/zinc/16/83/09/1070168309.db2.gz MIUPPKMVBQMTON-UHFFFAOYSA-N 1 1 402.561 -0.603 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000438681577 1070168263 /nfs/dbraw/zinc/16/82/63/1070168263.db2.gz PRBMBYNELPMSDD-WBVHZDCISA-N 1 1 415.487 -0.212 20 0 HBADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000438683205 1070168424 /nfs/dbraw/zinc/16/84/24/1070168424.db2.gz UJUIRPWWCWNOGX-UHFFFAOYSA-N 1 1 412.512 -0.377 20 0 HBADMO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000438683205 1070168418 /nfs/dbraw/zinc/16/84/18/1070168418.db2.gz UJUIRPWWCWNOGX-UHFFFAOYSA-N 1 1 412.512 -0.377 20 0 HBADMO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000438685203 1070165693 /nfs/dbraw/zinc/16/56/93/1070165693.db2.gz XUDQGAKPPWIDLG-UHFFFAOYSA-N 1 1 412.512 -0.495 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000438688489 1070168146 /nfs/dbraw/zinc/16/81/46/1070168146.db2.gz VZAOSFKZDOJUFN-BBWFWOEESA-N 1 1 415.556 -0.065 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000438688490 1070168114 /nfs/dbraw/zinc/16/81/14/1070168114.db2.gz VZAOSFKZDOJUFN-BRWVUGGUSA-N 1 1 415.556 -0.065 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000438688491 1070168395 /nfs/dbraw/zinc/16/83/95/1070168395.db2.gz VZAOSFKZDOJUFN-GVDBMIGSSA-N 1 1 415.556 -0.065 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000438688492 1070168473 /nfs/dbraw/zinc/16/84/73/1070168473.db2.gz VZAOSFKZDOJUFN-ZACQAIPSSA-N 1 1 415.556 -0.065 20 0 HBADMO NC(=O)CC[C@@H](C(=O)NCC[N@H+]1CCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000438689235 1070169318 /nfs/dbraw/zinc/16/93/18/1070169318.db2.gz VJDVKZQQAOTUHQ-INIZCTEOSA-N 1 1 402.451 -0.245 20 0 HBADMO NC(=O)CC[C@H](C(=O)NCC[N@H+]1CCCOCC1)N1C(=O)c2ccccc2C1=O ZINC000438689236 1070169276 /nfs/dbraw/zinc/16/92/76/1070169276.db2.gz VJDVKZQQAOTUHQ-MRXNPFEDSA-N 1 1 402.451 -0.245 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000438689330 1070169070 /nfs/dbraw/zinc/16/90/70/1070169070.db2.gz ZPSPCKYKHXBVMD-UHFFFAOYSA-N 1 1 410.496 -0.741 20 0 HBADMO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000438689330 1070169065 /nfs/dbraw/zinc/16/90/65/1070169065.db2.gz ZPSPCKYKHXBVMD-UHFFFAOYSA-N 1 1 410.496 -0.741 20 0 HBADMO CC[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)N1CCOCC1 ZINC000438740299 1070177142 /nfs/dbraw/zinc/17/71/42/1070177142.db2.gz ZBGUFWSENGBIRI-INIZCTEOSA-N 1 1 419.482 -0.121 20 0 HBADMO CC[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(=O)N1CCOCC1 ZINC000438740300 1070177123 /nfs/dbraw/zinc/17/71/23/1070177123.db2.gz ZBGUFWSENGBIRI-MRXNPFEDSA-N 1 1 419.482 -0.121 20 0 HBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cn1 ZINC000438769215 1070181659 /nfs/dbraw/zinc/18/16/59/1070181659.db2.gz BBMALYBCOJNVLJ-IIAWOOMASA-N 1 1 406.487 -0.332 20 0 HBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000438769217 1070181640 /nfs/dbraw/zinc/18/16/40/1070181640.db2.gz BBMALYBCOJNVLJ-IJEWVQPXSA-N 1 1 406.487 -0.332 20 0 HBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000438769217 1070181636 /nfs/dbraw/zinc/18/16/36/1070181636.db2.gz BBMALYBCOJNVLJ-IJEWVQPXSA-N 1 1 406.487 -0.332 20 0 HBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000438769220 1070181695 /nfs/dbraw/zinc/18/16/95/1070181695.db2.gz BBMALYBCOJNVLJ-LZWOXQAQSA-N 1 1 406.487 -0.332 20 0 HBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000438769220 1070181687 /nfs/dbraw/zinc/18/16/87/1070181687.db2.gz BBMALYBCOJNVLJ-LZWOXQAQSA-N 1 1 406.487 -0.332 20 0 HBADMO CNC(=O)Cn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cn1 ZINC000438769221 1070181592 /nfs/dbraw/zinc/18/15/92/1070181592.db2.gz BBMALYBCOJNVLJ-OFQRWUPVSA-N 1 1 406.487 -0.332 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000438776427 1069559823 /nfs/dbraw/zinc/55/98/23/1069559823.db2.gz ABBYNEDXWAGYML-BZUAXINKSA-N 1 1 420.514 -0.024 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000438776430 1070183341 /nfs/dbraw/zinc/18/33/41/1070183341.db2.gz ABBYNEDXWAGYML-HRCADAONSA-N 1 1 420.514 -0.024 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000438776433 1069559927 /nfs/dbraw/zinc/55/99/27/1069559927.db2.gz ABBYNEDXWAGYML-OWCLPIDISA-N 1 1 420.514 -0.024 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000438776433 1069559917 /nfs/dbraw/zinc/55/99/17/1069559917.db2.gz ABBYNEDXWAGYML-OWCLPIDISA-N 1 1 420.514 -0.024 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000438776437 1070183294 /nfs/dbraw/zinc/18/32/94/1070183294.db2.gz ABBYNEDXWAGYML-XHSDSOJGSA-N 1 1 420.514 -0.024 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000438776437 1070183289 /nfs/dbraw/zinc/18/32/89/1070183289.db2.gz ABBYNEDXWAGYML-XHSDSOJGSA-N 1 1 420.514 -0.024 20 0 HBADMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000438782189 1070184004 /nfs/dbraw/zinc/18/40/04/1070184004.db2.gz XTKPFFVJLCCRMR-BZUAXINKSA-N 1 1 420.514 0.010 20 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0.010 20 0 HBADMO CN(C)C(=O)c1cc(NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1F ZINC000438793022 1070186464 /nfs/dbraw/zinc/18/64/64/1070186464.db2.gz FQYJISHOXLZCTR-UHFFFAOYSA-N 1 1 407.446 -0.254 20 0 HBADMO O=C(NCCN1CCCOCC1)c1cccc(C(=O)NCC[N@H+]2CCCOCC2)n1 ZINC000438820600 1069328760 /nfs/dbraw/zinc/32/87/60/1069328760.db2.gz ANWGMSCSHRAYDW-UHFFFAOYSA-N 1 1 419.526 -0.014 20 0 HBADMO O=C(NCCN1CCCOCC1)c1cccc(C(=O)NCC[N@@H+]2CCCOCC2)n1 ZINC000438820600 1069328743 /nfs/dbraw/zinc/32/87/43/1069328743.db2.gz ANWGMSCSHRAYDW-UHFFFAOYSA-N 1 1 419.526 -0.014 20 0 HBADMO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC[N@H+]1CCCOCC1 ZINC000438822143 1070189878 /nfs/dbraw/zinc/18/98/78/1070189878.db2.gz FSTQMANZSDLYJS-UHFFFAOYSA-N 1 1 413.496 -0.035 20 0 HBADMO Cc1c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438824976 1070190598 /nfs/dbraw/zinc/19/05/98/1070190598.db2.gz AFCCSNFPZNSWGP-CYBMUJFWSA-N 1 1 402.499 -0.446 20 0 HBADMO Cc1c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438824977 1070190750 /nfs/dbraw/zinc/19/07/50/1070190750.db2.gz AFCCSNFPZNSWGP-ZDUSSCGKSA-N 1 1 402.499 -0.446 20 0 HBADMO C[C@@H]1C[N@H+](C[C@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@H](C)O1 ZINC000438828532 1070191547 /nfs/dbraw/zinc/19/15/47/1070191547.db2.gz WSCJKOMNWOHXEV-HLLBOEOZSA-N 1 1 402.517 -0.408 20 0 HBADMO C[C@@H]1C[N@H+](C[C@@H](O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)C[C@H](C)O1 ZINC000438828534 1070191425 /nfs/dbraw/zinc/19/14/25/1070191425.db2.gz WSCJKOMNWOHXEV-UXLLHSPISA-N 1 1 402.517 -0.408 20 0 HBADMO Cc1c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438831425 1070192317 /nfs/dbraw/zinc/19/23/17/1070192317.db2.gz CDWOPXKQAJWTSO-UHFFFAOYSA-N 1 1 416.526 -0.056 20 0 HBADMO Cc1c(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832070 1070191641 /nfs/dbraw/zinc/19/16/41/1070191641.db2.gz SWDJSMJILVMBCC-INIZCTEOSA-N 1 1 416.526 -0.058 20 0 HBADMO Cc1c(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832073 1070191613 /nfs/dbraw/zinc/19/16/13/1070191613.db2.gz SWDJSMJILVMBCC-MRXNPFEDSA-N 1 1 416.526 -0.058 20 0 HBADMO Cc1c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832906 1070192444 /nfs/dbraw/zinc/19/24/44/1070192444.db2.gz WBIRIJKUUDGBHM-AWEZNQCLSA-N 1 1 401.467 -0.265 20 0 HBADMO Cc1c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438832908 1070192355 /nfs/dbraw/zinc/19/23/55/1070192355.db2.gz WBIRIJKUUDGBHM-CQSZACIVSA-N 1 1 401.467 -0.265 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438835583 1070193334 /nfs/dbraw/zinc/19/33/34/1070193334.db2.gz WQNOMXDUPFIMTR-AWEZNQCLSA-N 1 1 416.526 -0.056 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438835584 1070193288 /nfs/dbraw/zinc/19/32/88/1070193288.db2.gz WQNOMXDUPFIMTR-CQSZACIVSA-N 1 1 416.526 -0.056 20 0 HBADMO C[C@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000438954773 1070212030 /nfs/dbraw/zinc/21/20/30/1070212030.db2.gz LAQNXYYIVDVCDH-CYBMUJFWSA-N 1 1 407.496 -0.017 20 0 HBADMO C[C@@H](c1ccncc1)[NH+]1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000438954777 1070212079 /nfs/dbraw/zinc/21/20/79/1070212079.db2.gz LAQNXYYIVDVCDH-ZDUSSCGKSA-N 1 1 407.496 -0.017 20 0 HBADMO Cc1c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438976545 1070215765 /nfs/dbraw/zinc/21/57/65/1070215765.db2.gz IQRBVXFXCQCISI-UHFFFAOYSA-N 1 1 416.482 -0.777 20 0 HBADMO Cc1c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439006852 1070216183 /nfs/dbraw/zinc/21/61/83/1070216183.db2.gz UAXIATWLVCCNSH-UHFFFAOYSA-N 1 1 402.499 -0.350 20 0 HBADMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007731 1070216632 /nfs/dbraw/zinc/21/66/32/1070216632.db2.gz ZGGYFZVXLPPZGL-CYBMUJFWSA-N 1 1 402.455 -0.990 20 0 HBADMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439007732 1070216565 /nfs/dbraw/zinc/21/65/65/1070216565.db2.gz 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ZINC000439152898 1070238725 /nfs/dbraw/zinc/23/87/25/1070238725.db2.gz JCTUEHICSJSBPA-GASCZTMLSA-N 1 1 406.549 -0.165 20 0 HBADMO CNS(=O)(=O)CCNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000439152898 1070238718 /nfs/dbraw/zinc/23/87/18/1070238718.db2.gz JCTUEHICSJSBPA-GASCZTMLSA-N 1 1 406.549 -0.165 20 0 HBADMO CNS(=O)(=O)CCNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000439152899 1070238613 /nfs/dbraw/zinc/23/86/13/1070238613.db2.gz JCTUEHICSJSBPA-GJZGRUSLSA-N 1 1 406.549 -0.165 20 0 HBADMO CNS(=O)(=O)CCNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000439152900 1070238591 /nfs/dbraw/zinc/23/85/91/1070238591.db2.gz JCTUEHICSJSBPA-HUUCEWRRSA-N 1 1 406.549 -0.165 20 0 HBADMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439159543 1070237028 /nfs/dbraw/zinc/23/70/28/1070237028.db2.gz JPMBTYUTYFNPFU-BPAMBQHCSA-N 1 1 406.487 -0.394 20 0 HBADMO CCC[N@@H+](C)C[C@H]1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC000439159544 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/nfs/dbraw/zinc/32/59/07/1070325907.db2.gz KLAMXZGLBZIAOV-UHFFFAOYSA-N 1 1 404.446 0.568 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)c1 ZINC000440011810 1070324787 /nfs/dbraw/zinc/32/47/87/1070324787.db2.gz ZHFPBSOUMBWHCS-CYBMUJFWSA-N 1 1 412.512 -0.163 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)c1 ZINC000440011813 1070324893 /nfs/dbraw/zinc/32/48/93/1070324893.db2.gz ZHFPBSOUMBWHCS-ZDUSSCGKSA-N 1 1 412.512 -0.163 20 0 HBADMO CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000440013266 1070325009 /nfs/dbraw/zinc/32/50/09/1070325009.db2.gz QWJTZCJAOOCWKD-UHFFFAOYSA-N 1 1 412.512 -0.210 20 0 HBADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000440016438 1070325345 /nfs/dbraw/zinc/32/53/45/1070325345.db2.gz UFKZJHFNLUOBJB-UHFFFAOYSA-N 1 1 401.471 0.125 20 0 HBADMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@@H]3C2)ccc1Cl ZINC000440025204 1070328263 /nfs/dbraw/zinc/32/82/63/1070328263.db2.gz IZJISJFKJOFYPM-CYBMUJFWSA-N 1 1 407.858 -0.491 20 0 HBADMO C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCN3C(=O)C(=O)NC[C@H]3C2)ccc1Cl ZINC000440025205 1070327966 /nfs/dbraw/zinc/32/79/66/1070327966.db2.gz IZJISJFKJOFYPM-ZDUSSCGKSA-N 1 1 407.858 -0.491 20 0 HBADMO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000440040369 1070330640 /nfs/dbraw/zinc/33/06/40/1070330640.db2.gz AGFYFFRNXNFCRG-CRAIPNDOSA-N 1 1 417.510 -0.095 20 0 HBADMO Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000440040371 1070330988 /nfs/dbraw/zinc/33/09/88/1070330988.db2.gz AGFYFFRNXNFCRG-MAUKXSAKSA-N 1 1 417.510 -0.095 20 0 HBADMO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000440040373 1070330756 /nfs/dbraw/zinc/33/07/56/1070330756.db2.gz AGFYFFRNXNFCRG-QAPCUYQASA-N 1 1 417.510 -0.095 20 0 HBADMO Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000440040375 1070331072 /nfs/dbraw/zinc/33/10/72/1070331072.db2.gz AGFYFFRNXNFCRG-YJBOKZPZSA-N 1 1 417.510 -0.095 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 ZINC000440051337 1070329111 /nfs/dbraw/zinc/32/91/11/1070329111.db2.gz MJHDNGIIDVRRIG-UHFFFAOYSA-N 1 1 401.467 -0.016 20 0 HBADMO COCC[C@@H](CO)NC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000440099003 1070336280 /nfs/dbraw/zinc/33/62/80/1070336280.db2.gz HLVAAJNWBULISF-HNNXBMFYSA-N 1 1 422.482 -0.465 20 0 HBADMO COCC[C@H](CO)NC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000440099004 1070336342 /nfs/dbraw/zinc/33/63/42/1070336342.db2.gz HLVAAJNWBULISF-OAHLLOKOSA-N 1 1 422.482 -0.465 20 0 HBADMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000440100117 1070336743 /nfs/dbraw/zinc/33/67/43/1070336743.db2.gz GPIZTVQNOCKXJL-AWEZNQCLSA-N 1 1 412.512 -0.210 20 0 HBADMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000440100118 1070336948 /nfs/dbraw/zinc/33/69/48/1070336948.db2.gz GPIZTVQNOCKXJL-CQSZACIVSA-N 1 1 412.512 -0.210 20 0 HBADMO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(N)=O ZINC000440105950 1070337527 /nfs/dbraw/zinc/33/75/27/1070337527.db2.gz NCVVPNGDKXHAAU-QGZVFWFLSA-N 1 1 403.483 -0.432 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](CO)CCOC)cc2)CC1 ZINC000440108054 1070337888 /nfs/dbraw/zinc/33/78/88/1070337888.db2.gz OSLBSZWYUDKFSY-GOSISDBHSA-N 1 1 420.510 -0.155 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H](CO)CCOC)cc2)CC1 ZINC000440108055 1070337696 /nfs/dbraw/zinc/33/76/96/1070337696.db2.gz OSLBSZWYUDKFSY-SFHVURJKSA-N 1 1 420.510 -0.155 20 0 HBADMO Cc1nnc(CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)[nH]1 ZINC000440108540 1070337759 /nfs/dbraw/zinc/33/77/59/1070337759.db2.gz RAZSGPOZCMIUST-UHFFFAOYSA-N 1 1 413.482 -0.273 20 0 HBADMO COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000440111647 1070338441 /nfs/dbraw/zinc/33/84/41/1070338441.db2.gz SSIHHGOQNGFZSD-KRWDZBQOSA-N 1 1 406.483 -0.545 20 0 HBADMO COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000440111648 1070338643 /nfs/dbraw/zinc/33/86/43/1070338643.db2.gz SSIHHGOQNGFZSD-QGZVFWFLSA-N 1 1 406.483 -0.545 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)cc2)CC1 ZINC000440111668 1070338228 /nfs/dbraw/zinc/33/82/28/1070338228.db2.gz SYECOGWMMDFRRR-GOSISDBHSA-N 1 1 417.510 -0.042 20 0 HBADMO CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000440114937 1070339224 /nfs/dbraw/zinc/33/92/24/1070339224.db2.gz AKQNFNFTPFPTHJ-AWEZNQCLSA-N 1 1 404.446 0.568 20 0 HBADMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2nn(-c3ncccc3F)cc2C)CC1 ZINC000440114939 1070339153 /nfs/dbraw/zinc/33/91/53/1070339153.db2.gz AKQNFNFTPFPTHJ-CQSZACIVSA-N 1 1 404.446 0.568 20 0 HBADMO CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)C(N)=O ZINC000440116584 1070339196 /nfs/dbraw/zinc/33/91/96/1070339196.db2.gz FRHXYFGWYLBTLA-QGZVFWFLSA-N 1 1 405.499 -0.123 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000440119073 1070339106 /nfs/dbraw/zinc/33/91/06/1070339106.db2.gz GWXHALBTPOIQON-MRXNPFEDSA-N 1 1 419.482 -0.353 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC[C@H]4C(=O)NC[C@H]43)cc2)CC1 ZINC000440151812 1070342942 /nfs/dbraw/zinc/34/29/42/1070342942.db2.gz CRDIARDEDMXSRO-IAGOWNOFSA-N 1 1 413.478 -0.250 20 0 HBADMO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000440266387 1070359089 /nfs/dbraw/zinc/35/90/89/1070359089.db2.gz MJLVBTGAYLMWEM-INIZCTEOSA-N 1 1 417.510 -0.060 20 0 HBADMO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000440266390 1070359002 /nfs/dbraw/zinc/35/90/02/1070359002.db2.gz MJLVBTGAYLMWEM-MRXNPFEDSA-N 1 1 417.510 -0.060 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000440267250 1070354897 /nfs/dbraw/zinc/35/48/97/1070354897.db2.gz DJVGRQKJQGCKSL-UHFFFAOYSA-N 1 1 401.467 -0.053 20 0 HBADMO COc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1-n1cnnn1 ZINC000440268299 1070354754 /nfs/dbraw/zinc/35/47/54/1070354754.db2.gz GGOUVZZXUBQFKC-UHFFFAOYSA-N 1 1 416.486 -0.295 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000440271018 1070355525 /nfs/dbraw/zinc/35/55/25/1070355525.db2.gz XGQABGHKJJSAGY-UHFFFAOYSA-N 1 1 415.498 -0.395 20 0 HBADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000440271742 1070355958 /nfs/dbraw/zinc/35/59/58/1070355958.db2.gz OLAWVADCZUFGMO-BBRMVZONSA-N 1 1 410.496 -0.092 20 0 HBADMO C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000440271756 1070355924 /nfs/dbraw/zinc/35/59/24/1070355924.db2.gz OLAWVADCZUFGMO-CJNGLKHVSA-N 1 1 410.496 -0.092 20 0 HBADMO C[C@H](c1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000440271760 1070356081 /nfs/dbraw/zinc/35/60/81/1070356081.db2.gz OLAWVADCZUFGMO-CZUORRHYSA-N 1 1 410.496 -0.092 20 0 HBADMO C[C@@H](c1ccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1)[NH+]1CCOCC1 ZINC000440271764 1070355891 /nfs/dbraw/zinc/35/58/91/1070355891.db2.gz OLAWVADCZUFGMO-XJKSGUPXSA-N 1 1 410.496 -0.092 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000440272222 1070356175 /nfs/dbraw/zinc/35/61/75/1070356175.db2.gz ZTOAJWRLNWBCCX-UHFFFAOYSA-N 1 1 404.450 -0.164 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000440276611 1070356658 /nfs/dbraw/zinc/35/66/58/1070356658.db2.gz NSLPTJVSSDTCDX-GOSISDBHSA-N 1 1 417.510 -0.378 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)c2ccccc2O1 ZINC000440276612 1070356816 /nfs/dbraw/zinc/35/68/16/1070356816.db2.gz NSLPTJVSSDTCDX-SFHVURJKSA-N 1 1 417.510 -0.378 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000440279430 1070357825 /nfs/dbraw/zinc/35/78/25/1070357825.db2.gz GMUZVXKAYVLGJW-UHFFFAOYSA-N 1 1 402.499 -0.089 20 0 HBADMO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000440284745 1070362754 /nfs/dbraw/zinc/36/27/54/1070362754.db2.gz SCZQYHMBPHTXAL-HNNXBMFYSA-N 1 1 415.494 -0.369 20 0 HBADMO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000440284746 1070362662 /nfs/dbraw/zinc/36/26/62/1070362662.db2.gz SCZQYHMBPHTXAL-OAHLLOKOSA-N 1 1 415.494 -0.369 20 0 HBADMO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000440294625 1070360883 /nfs/dbraw/zinc/36/08/83/1070360883.db2.gz LIVTXBCGTJNECR-AWEZNQCLSA-N 1 1 401.467 -0.298 20 0 HBADMO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000440294631 1070360810 /nfs/dbraw/zinc/36/08/10/1070360810.db2.gz LIVTXBCGTJNECR-CQSZACIVSA-N 1 1 401.467 -0.298 20 0 HBADMO NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000440299148 1070361229 /nfs/dbraw/zinc/36/12/29/1070361229.db2.gz UHHVYKLKXQORJJ-INIZCTEOSA-N 1 1 410.496 -0.611 20 0 HBADMO NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000440299149 1070361352 /nfs/dbraw/zinc/36/13/52/1070361352.db2.gz UHHVYKLKXQORJJ-MRXNPFEDSA-N 1 1 410.496 -0.611 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1C ZINC000440302781 1070365398 /nfs/dbraw/zinc/36/53/98/1070365398.db2.gz IPKUONMPAZBYNL-UHFFFAOYSA-N 1 1 408.484 -0.042 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N(CCO)CCCO ZINC000440306207 1070363534 /nfs/dbraw/zinc/36/35/34/1070363534.db2.gz LXUZYFUPZFSZQG-UHFFFAOYSA-N 1 1 422.482 -0.775 20 0 HBADMO CN(C(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000440308230 1070363286 /nfs/dbraw/zinc/36/32/86/1070363286.db2.gz XWOCNXHCFAFDJO-GOSISDBHSA-N 1 1 420.510 -0.005 20 0 HBADMO CN(C(=O)c1ccc(NC(=O)C(=O)N(CCO)CCCO)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000440308233 1070363377 /nfs/dbraw/zinc/36/33/77/1070363377.db2.gz XWOCNXHCFAFDJO-SFHVURJKSA-N 1 1 420.510 -0.005 20 0 HBADMO CCc1ccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1S(N)(=O)=O ZINC000440310250 1070363777 /nfs/dbraw/zinc/36/37/77/1070363777.db2.gz DBDCEJWQRXJMQY-UHFFFAOYSA-N 1 1 408.484 -0.049 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000440310272 1070363975 /nfs/dbraw/zinc/36/39/75/1070363975.db2.gz DEOPVNUMNVAGOJ-UHFFFAOYSA-N 1 1 420.510 -0.465 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCc1c[nH+]c(N(C)C)n1C)CC2 ZINC000440310564 1070363828 /nfs/dbraw/zinc/36/38/28/1070363828.db2.gz DZWXJAPALPJGEA-UHFFFAOYSA-N 1 1 420.495 -0.400 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)n1C ZINC000440312569 1070363878 /nfs/dbraw/zinc/36/38/78/1070363878.db2.gz IHVQVNJOILYKMW-UHFFFAOYSA-N 1 1 408.484 -0.009 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000440314566 1070364108 /nfs/dbraw/zinc/36/41/08/1070364108.db2.gz JTVJZLOIKFGECQ-UHFFFAOYSA-N 1 1 406.483 -0.855 20 0 HBADMO CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000440316143 1070364722 /nfs/dbraw/zinc/36/47/22/1070364722.db2.gz QZUJAYHRBRWAIE-UHFFFAOYSA-N 1 1 408.484 -0.042 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c1C ZINC000440316733 1070364353 /nfs/dbraw/zinc/36/43/53/1070364353.db2.gz UEFJYRNWSJQKHJ-UHFFFAOYSA-N 1 1 408.484 -0.042 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c2ccccc2O1 ZINC000440318996 1070366676 /nfs/dbraw/zinc/36/66/76/1070366676.db2.gz SYQFJCYRIJXYOW-HNNXBMFYSA-N 1 1 400.439 -0.358 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)c2ccccc2O1 ZINC000440318997 1070367111 /nfs/dbraw/zinc/36/71/11/1070367111.db2.gz SYQFJCYRIJXYOW-OAHLLOKOSA-N 1 1 400.439 -0.358 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1C ZINC000440321697 1070366963 /nfs/dbraw/zinc/36/69/63/1070366963.db2.gz VXPMUUBNXWJZIS-UHFFFAOYSA-N 1 1 408.484 -0.009 20 0 HBADMO NS(=O)(=O)CCN1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000440340336 1070368501 /nfs/dbraw/zinc/36/85/01/1070368501.db2.gz KOHCXZMVVWCCIX-UHFFFAOYSA-N 1 1 409.556 -0.763 20 0 HBADMO C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342646 1070368590 /nfs/dbraw/zinc/36/85/90/1070368590.db2.gz LRBFVOCBJQWZHB-HKUYNNGSSA-N 1 1 423.583 -0.328 20 0 HBADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342648 1070368743 /nfs/dbraw/zinc/36/87/43/1070368743.db2.gz LRBFVOCBJQWZHB-IEBWSBKVSA-N 1 1 423.583 -0.328 20 0 HBADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342651 1070368956 /nfs/dbraw/zinc/36/89/56/1070368956.db2.gz LRBFVOCBJQWZHB-MJGOQNOKSA-N 1 1 423.583 -0.328 20 0 HBADMO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN(CCS(N)(=O)=O)CC1 ZINC000440342654 1070369319 /nfs/dbraw/zinc/36/93/19/1070369319.db2.gz LRBFVOCBJQWZHB-PKOBYXMFSA-N 1 1 423.583 -0.328 20 0 HBADMO Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)C2)c1=O ZINC000440344029 1070369008 /nfs/dbraw/zinc/36/90/08/1070369008.db2.gz QFCIRZOGKGVNEO-BEFAXECRSA-N 1 1 408.503 -0.869 20 0 HBADMO Cn1ccnc(N2CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)C2)c1=O ZINC000440344037 1070369056 /nfs/dbraw/zinc/36/90/56/1070369056.db2.gz QFCIRZOGKGVNEO-DNVCBOLYSA-N 1 1 408.503 -0.869 20 0 HBADMO Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)C2)c1=O ZINC000440344041 1070369177 /nfs/dbraw/zinc/36/91/77/1070369177.db2.gz QFCIRZOGKGVNEO-HNAYVOBHSA-N 1 1 408.503 -0.869 20 0 HBADMO Cn1ccnc(N2CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)C2)c1=O ZINC000440344045 1070369408 /nfs/dbraw/zinc/36/94/08/1070369408.db2.gz QFCIRZOGKGVNEO-KXBFYZLASA-N 1 1 408.503 -0.869 20 0 HBADMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000440347960 1070367969 /nfs/dbraw/zinc/36/79/69/1070367969.db2.gz WQTTWUPOCVAGPL-GOSISDBHSA-N 1 1 423.583 -0.202 20 0 HBADMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000440347961 1070368130 /nfs/dbraw/zinc/36/81/30/1070368130.db2.gz WQTTWUPOCVAGPL-SFHVURJKSA-N 1 1 423.583 -0.202 20 0 HBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 ZINC000440378564 1070372072 /nfs/dbraw/zinc/37/20/72/1070372072.db2.gz WSMBDLCXCXLGNP-AWEZNQCLSA-N 1 1 411.484 -0.595 20 0 HBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 ZINC000440378565 1070372489 /nfs/dbraw/zinc/37/24/89/1070372489.db2.gz WSMBDLCXCXLGNP-CQSZACIVSA-N 1 1 411.484 -0.595 20 0 HBADMO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)cn1 ZINC000440402689 1070376790 /nfs/dbraw/zinc/37/67/90/1070376790.db2.gz HLNDEJYLXGEGQW-UHFFFAOYSA-N 1 1 412.560 -0.426 20 0 HBADMO NS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000440403362 1070376748 /nfs/dbraw/zinc/37/67/48/1070376748.db2.gz ZPPWXFXNFKEMPB-KRWDZBQOSA-N 1 1 424.523 -0.221 20 0 HBADMO NS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000440403364 1070377032 /nfs/dbraw/zinc/37/70/32/1070377032.db2.gz ZPPWXFXNFKEMPB-QGZVFWFLSA-N 1 1 424.523 -0.221 20 0 HBADMO COC(=O)Cn1cc(CC[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)nn1 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C[C@@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000443250496 1070990471 /nfs/dbraw/zinc/99/04/71/1070990471.db2.gz MZKBFIAAFPGBRU-CRAIPNDOSA-N 1 1 417.510 -0.108 20 0 HBADMO C[C@H]1CCNC(=O)[C@@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000443250501 1070990618 /nfs/dbraw/zinc/99/06/18/1070990618.db2.gz MZKBFIAAFPGBRU-MAUKXSAKSA-N 1 1 417.510 -0.108 20 0 HBADMO C[C@@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000443250506 1070990545 /nfs/dbraw/zinc/99/05/45/1070990545.db2.gz MZKBFIAAFPGBRU-QAPCUYQASA-N 1 1 417.510 -0.108 20 0 HBADMO C[C@H]1CCNC(=O)[C@H]1NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000443250510 1070990717 /nfs/dbraw/zinc/99/07/17/1070990717.db2.gz MZKBFIAAFPGBRU-YJBOKZPZSA-N 1 1 417.510 -0.108 20 0 HBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC([N@@H+](C)CCCO)CC3)cnc21 ZINC000443257748 1070994080 /nfs/dbraw/zinc/99/40/80/1070994080.db2.gz QCRFTDOHNHEXRX-UHFFFAOYSA-N 1 1 411.484 -0.499 20 0 HBADMO Cc1nn(C)c2ncc(S(=O)(=O)NCCCC[NH+]3CCN(CCO)CC3)cc12 ZINC000443257972 1070994140 /nfs/dbraw/zinc/99/41/40/1070994140.db2.gz RSEBJSMTSSEHAB-UHFFFAOYSA-N 1 1 410.544 -0.055 20 0 HBADMO O=S(=O)(NCCCC[NH+]1CCN(CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000443258675 1070993322 /nfs/dbraw/zinc/99/33/22/1070993322.db2.gz BKBHEAWRLWFRQD-UHFFFAOYSA-N 1 1 409.516 -0.669 20 0 HBADMO CCN(C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)[C@H]1CCNC1=O ZINC000443258793 1069609673 /nfs/dbraw/zinc/60/96/73/1069609673.db2.gz XGYQESVNWONLGH-AWEZNQCLSA-N 1 1 415.454 0.022 20 0 HBADMO CCN(C(=O)C(=O)Nc1ncn(Cc2[nH+]cc(C)c(OC)c2C)n1)[C@@H]1CCNC1=O ZINC000443258794 1069609715 /nfs/dbraw/zinc/60/97/15/1069609715.db2.gz XGYQESVNWONLGH-CQSZACIVSA-N 1 1 415.454 0.022 20 0 HBADMO O=S(=O)(NCCCC[NH+]1CCN(CCO)CC1)c1cccc(-n2cnnn2)c1 ZINC000443260927 1070993908 /nfs/dbraw/zinc/99/39/08/1070993908.db2.gz FDMHDJFLICORKJ-UHFFFAOYSA-N 1 1 409.516 -0.669 20 0 HBADMO CN1C(=O)c2ccc(S(=O)(=O)NCCCC[NH+]3CCN(CCO)CC3)cc2C1=O ZINC000443261008 1070994028 /nfs/dbraw/zinc/99/40/28/1070994028.db2.gz JCIPQMWEIORGPW-UHFFFAOYSA-N 1 1 424.523 -0.419 20 0 HBADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443266158 1070996107 /nfs/dbraw/zinc/99/61/07/1070996107.db2.gz TXPZTWUIIVXVJJ-INIZCTEOSA-N 1 1 406.549 -0.762 20 0 HBADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000443266171 1070996131 /nfs/dbraw/zinc/99/61/31/1070996131.db2.gz TXPZTWUIIVXVJJ-MRXNPFEDSA-N 1 1 406.549 -0.762 20 0 HBADMO COC(=O)c1cc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cn1C ZINC000443267586 1070996051 /nfs/dbraw/zinc/99/60/51/1070996051.db2.gz DSLHTLMOWJORPF-UHFFFAOYSA-N 1 1 402.517 -0.520 20 0 HBADMO COC(=O)c1cc(S(=O)(=O)NCCCCN2CCN(CCO)CC2)cn1C ZINC000443267586 1070996042 /nfs/dbraw/zinc/99/60/42/1070996042.db2.gz DSLHTLMOWJORPF-UHFFFAOYSA-N 1 1 402.517 -0.520 20 0 HBADMO COc1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1C(N)=O ZINC000443276707 1070999671 /nfs/dbraw/zinc/99/96/71/1070999671.db2.gz ZQKUJVBOTVHADE-UHFFFAOYSA-N 1 1 414.528 -0.538 20 0 HBADMO Cn1nnnc1-c1cccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000443278433 1071000337 /nfs/dbraw/zinc/00/03/37/1071000337.db2.gz VZUUGLGFYDYFAE-UHFFFAOYSA-N 1 1 423.543 -0.455 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000443278643 1071000165 /nfs/dbraw/zinc/00/01/65/1071000165.db2.gz WIMNRJIIOUEPAF-UHFFFAOYSA-N 1 1 419.569 -0.242 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3C(=O)NCC[C@@H]3C)n2)c1C ZINC000443278682 1069624425 /nfs/dbraw/zinc/62/44/25/1069624425.db2.gz YOZTUPISCTUTSV-HZMBPMFUSA-N 1 1 415.454 -0.074 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3C(=O)NCC[C@@H]3C)n2)c1C ZINC000443278685 1069624445 /nfs/dbraw/zinc/62/44/45/1069624445.db2.gz YOZTUPISCTUTSV-IINYFYTJSA-N 1 1 415.454 -0.074 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@H]3C(=O)NCC[C@H]3C)n2)c1C ZINC000443278687 1069624578 /nfs/dbraw/zinc/62/45/78/1069624578.db2.gz YOZTUPISCTUTSV-QMTHXVAHSA-N 1 1 415.454 -0.074 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)C(=O)N[C@@H]3C(=O)NCC[C@H]3C)n2)c1C ZINC000443278690 1069624553 /nfs/dbraw/zinc/62/45/53/1069624553.db2.gz YOZTUPISCTUTSV-YGRLFVJLSA-N 1 1 415.454 -0.074 20 0 HBADMO CS(=O)(=O)c1cccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)c1 ZINC000443279409 1071000418 /nfs/dbraw/zinc/00/04/18/1071000418.db2.gz YYKKHPGGQHEQOB-UHFFFAOYSA-N 1 1 419.569 -0.242 20 0 HBADMO O=C1NCCc2ccc(S(=O)(=O)NCCCC[NH+]3CCN(CCO)CC3)cc21 ZINC000443287521 1070999721 /nfs/dbraw/zinc/99/97/21/1070999721.db2.gz RGWVWAUNWZFWRK-UHFFFAOYSA-N 1 1 410.540 -0.359 20 0 HBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cnc21 ZINC000443298209 1071003123 /nfs/dbraw/zinc/00/31/23/1071003123.db2.gz SKABBMBHRVGTST-GFCCVEGCSA-N 1 1 411.484 -0.451 20 0 HBADMO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)NCCCC[N@H+]3CCC[C@H]3CO)cnc21 ZINC000443298210 1071003082 /nfs/dbraw/zinc/00/30/82/1071003082.db2.gz SKABBMBHRVGTST-LBPRGKRZSA-N 1 1 411.484 -0.451 20 0 HBADMO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000443299517 1071000990 /nfs/dbraw/zinc/00/09/90/1071000990.db2.gz RMRXGYZRNWZCID-FQEVSTJZSA-N 1 1 419.482 -0.337 20 0 HBADMO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000443299519 1071001200 /nfs/dbraw/zinc/00/12/00/1071001200.db2.gz RMRXGYZRNWZCID-HXUWFJFHSA-N 1 1 419.482 -0.337 20 0 HBADMO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000443301884 1071003374 /nfs/dbraw/zinc/00/33/74/1071003374.db2.gz XCPUGWIYPCAQHT-FQEVSTJZSA-N 1 1 419.482 -0.480 20 0 HBADMO Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000443301887 1071004080 /nfs/dbraw/zinc/00/40/80/1071004080.db2.gz XCPUGWIYPCAQHT-HXUWFJFHSA-N 1 1 419.482 -0.480 20 0 HBADMO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000443325776 1071007218 /nfs/dbraw/zinc/00/72/18/1071007218.db2.gz YMCBEYRNZXDSRI-INIZCTEOSA-N 1 1 416.482 -0.081 20 0 HBADMO Cc1cc(N2CCNC2=O)ccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000443325777 1071006852 /nfs/dbraw/zinc/00/68/52/1071006852.db2.gz YMCBEYRNZXDSRI-MRXNPFEDSA-N 1 1 416.482 -0.081 20 0 HBADMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@@H](C)CO ZINC000443331128 1071005837 /nfs/dbraw/zinc/00/58/37/1071005837.db2.gz LESRYJKMPUVHNQ-BXWFABGCSA-N 1 1 421.494 -0.439 20 0 HBADMO C[C@H](CO)[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C[C@H](C)O ZINC000443331129 1071005357 /nfs/dbraw/zinc/00/53/57/1071005357.db2.gz LESRYJKMPUVHNQ-GJYPPUQNSA-N 1 1 421.494 -0.439 20 0 HBADMO C[C@H](CO)[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C[C@H](C)O ZINC000443331131 1071005894 /nfs/dbraw/zinc/00/58/94/1071005894.db2.gz LESRYJKMPUVHNQ-JTDSTZFVSA-N 1 1 421.494 -0.439 20 0 HBADMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H](C)CO ZINC000443331132 1071005739 /nfs/dbraw/zinc/00/57/39/1071005739.db2.gz LESRYJKMPUVHNQ-TXPKVOOTSA-N 1 1 421.494 -0.439 20 0 HBADMO C[C@H](CO)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C[C@H](C)O ZINC000443331746 1071005543 /nfs/dbraw/zinc/00/55/43/1071005543.db2.gz GGATUOOXLLTVCI-CABCVRRESA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H](C)CO ZINC000443331755 1071005486 /nfs/dbraw/zinc/00/54/86/1071005486.db2.gz GGATUOOXLLTVCI-GJZGRUSLSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H](C)CO ZINC000443331757 1071005614 /nfs/dbraw/zinc/00/56/14/1071005614.db2.gz GGATUOOXLLTVCI-HUUCEWRRSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H](C)CO ZINC000443331760 1071005298 /nfs/dbraw/zinc/00/52/98/1071005298.db2.gz GGATUOOXLLTVCI-LSDHHAIUSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@H](CO)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C[C@H](C)O ZINC000443333253 1071009149 /nfs/dbraw/zinc/00/91/49/1071009149.db2.gz ZLMNNQWQLQGQPL-CABCVRRESA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H](C)CO ZINC000443333255 1071009521 /nfs/dbraw/zinc/00/95/21/1071009521.db2.gz ZLMNNQWQLQGQPL-GJZGRUSLSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@H](C)CO ZINC000443333256 1071009307 /nfs/dbraw/zinc/00/93/07/1071009307.db2.gz ZLMNNQWQLQGQPL-HUUCEWRRSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H](C)CO ZINC000443333258 1071009596 /nfs/dbraw/zinc/00/95/96/1071009596.db2.gz ZLMNNQWQLQGQPL-LSDHHAIUSA-N 1 1 417.503 -0.278 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000443338963 1071009819 /nfs/dbraw/zinc/00/98/19/1071009819.db2.gz BKZSYTOOCKKHJD-CHWSQXEVSA-N 1 1 418.516 -0.812 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)CC1 ZINC000443338964 1071009878 /nfs/dbraw/zinc/00/98/78/1071009878.db2.gz BKZSYTOOCKKHJD-OLZOCXBDSA-N 1 1 418.516 -0.812 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000443338965 1071010136 /nfs/dbraw/zinc/01/01/36/1071010136.db2.gz BKZSYTOOCKKHJD-QWHCGFSZSA-N 1 1 418.516 -0.812 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000443338966 1071010444 /nfs/dbraw/zinc/01/04/44/1071010444.db2.gz BKZSYTOOCKKHJD-STQMWFEESA-N 1 1 418.516 -0.812 20 0 HBADMO C[C@H](CO)[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C[C@H](C)O ZINC000443341573 1071009935 /nfs/dbraw/zinc/00/99/35/1071009935.db2.gz CQHAKRQZSZJDMV-CABCVRRESA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H](C)CO ZINC000443341574 1071009724 /nfs/dbraw/zinc/00/97/24/1071009724.db2.gz CQHAKRQZSZJDMV-GJZGRUSLSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H](C)CO ZINC000443341575 1071010196 /nfs/dbraw/zinc/01/01/96/1071010196.db2.gz CQHAKRQZSZJDMV-HUUCEWRRSA-N 1 1 417.503 -0.278 20 0 HBADMO C[C@@H](O)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H](C)CO ZINC000443341576 1071010558 /nfs/dbraw/zinc/01/05/58/1071010558.db2.gz CQHAKRQZSZJDMV-LSDHHAIUSA-N 1 1 417.503 -0.278 20 0 HBADMO COc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000443341868 1071010069 /nfs/dbraw/zinc/01/00/69/1071010069.db2.gz FUGYSOHOJHIXPI-CHWSQXEVSA-N 1 1 403.501 -0.052 20 0 HBADMO COc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000443341868 1071010053 /nfs/dbraw/zinc/01/00/53/1071010053.db2.gz FUGYSOHOJHIXPI-CHWSQXEVSA-N 1 1 403.501 -0.052 20 0 HBADMO COc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000443341870 1071010390 /nfs/dbraw/zinc/01/03/90/1071010390.db2.gz FUGYSOHOJHIXPI-OLZOCXBDSA-N 1 1 403.501 -0.052 20 0 HBADMO COc1ccc(NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000443341870 1071010368 /nfs/dbraw/zinc/01/03/68/1071010368.db2.gz FUGYSOHOJHIXPI-OLZOCXBDSA-N 1 1 403.501 -0.052 20 0 HBADMO COc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)cc1S(=O)(=O)N(C)C ZINC000443341872 1071010018 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20 0 HBADMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@H](C)O1 ZINC000444582972 1069539706 /nfs/dbraw/zinc/53/97/06/1069539706.db2.gz LXGAJBWGQWMXQF-OKILXGFUSA-N 1 1 408.503 -0.086 20 0 HBADMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccn(CC(=O)N(C)C)n2)C[C@@H](C)O1 ZINC000444582973 1069539545 /nfs/dbraw/zinc/53/95/45/1069539545.db2.gz LXGAJBWGQWMXQF-ZIAGYGMSSA-N 1 1 408.503 -0.086 20 0 HBADMO Cn1cc(Br)cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c1=O ZINC000444585026 1071334620 /nfs/dbraw/zinc/33/46/20/1071334620.db2.gz XAMVSFXKKSEDBT-UHFFFAOYSA-N 1 1 401.261 -0.075 20 0 HBADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000444585432 1071335601 /nfs/dbraw/zinc/33/56/01/1071335601.db2.gz YUSGKDNGIWVFQU-AWEZNQCLSA-N 1 1 402.455 0.456 20 0 HBADMO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)n1 ZINC000444585433 1071335430 /nfs/dbraw/zinc/33/54/30/1071335430.db2.gz YUSGKDNGIWVFQU-CQSZACIVSA-N 1 1 402.455 0.456 20 0 HBADMO 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C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC[N@@H+]1CC(C)(C)O ZINC000445178578 1071384399 /nfs/dbraw/zinc/38/43/99/1071384399.db2.gz AIVJRPGCTZCARV-MRXNPFEDSA-N 1 1 422.530 -0.543 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000445179725 1071385200 /nfs/dbraw/zinc/38/52/00/1071385200.db2.gz BOTIHNRRPJQMAN-CYBMUJFWSA-N 1 1 419.482 -0.856 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000445179725 1071385190 /nfs/dbraw/zinc/38/51/90/1071385190.db2.gz BOTIHNRRPJQMAN-CYBMUJFWSA-N 1 1 419.482 -0.856 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000445179734 1071384914 /nfs/dbraw/zinc/38/49/14/1071384914.db2.gz BOTIHNRRPJQMAN-ZDUSSCGKSA-N 1 1 419.482 -0.856 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000445179734 1071384906 /nfs/dbraw/zinc/38/49/06/1071384906.db2.gz BOTIHNRRPJQMAN-ZDUSSCGKSA-N 1 1 419.482 -0.856 20 0 HBADMO 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C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000445189244 1071387569 /nfs/dbraw/zinc/38/75/69/1071387569.db2.gz MUDKDIPJPTWIJI-AWEZNQCLSA-N 1 1 418.498 -0.740 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@H+]1CC(C)(C)O ZINC000445189248 1071388061 /nfs/dbraw/zinc/38/80/61/1071388061.db2.gz MUDKDIPJPTWIJI-CQSZACIVSA-N 1 1 418.498 -0.740 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC[N@@H+]1CC(C)(C)O ZINC000445189248 1071388050 /nfs/dbraw/zinc/38/80/50/1071388050.db2.gz MUDKDIPJPTWIJI-CQSZACIVSA-N 1 1 418.498 -0.740 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000445198329 1071390793 /nfs/dbraw/zinc/39/07/93/1071390793.db2.gz ZOENCNDWQDDZIS-AWEZNQCLSA-N 1 1 416.482 -0.187 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000445198329 1071390785 /nfs/dbraw/zinc/39/07/85/1071390785.db2.gz ZOENCNDWQDDZIS-AWEZNQCLSA-N 1 1 416.482 -0.187 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@H+]1CC(C)(C)O ZINC000445198330 1071390858 /nfs/dbraw/zinc/39/08/58/1071390858.db2.gz ZOENCNDWQDDZIS-CQSZACIVSA-N 1 1 416.482 -0.187 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC[N@@H+]1CC(C)(C)O ZINC000445198330 1071390845 /nfs/dbraw/zinc/39/08/45/1071390845.db2.gz ZOENCNDWQDDZIS-CQSZACIVSA-N 1 1 416.482 -0.187 20 0 HBADMO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000445201224 1071391837 /nfs/dbraw/zinc/39/18/37/1071391837.db2.gz XOTISASIOIKRIY-GDBMZVCRSA-N 1 1 406.439 -0.350 20 0 HBADMO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000445201225 1071391960 /nfs/dbraw/zinc/39/19/60/1071391960.db2.gz XOTISASIOIKRIY-GOEBONIOSA-N 1 1 406.439 -0.350 20 0 HBADMO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000445201226 1071392379 /nfs/dbraw/zinc/39/23/79/1071392379.db2.gz XOTISASIOIKRIY-HOCLYGCPSA-N 1 1 406.439 -0.350 20 0 HBADMO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000445201227 1071392521 /nfs/dbraw/zinc/39/25/21/1071392521.db2.gz XOTISASIOIKRIY-ZBFHGGJFSA-N 1 1 406.439 -0.350 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC[N@H+]1CC(C)(C)O ZINC000445202299 1069557163 /nfs/dbraw/zinc/55/71/63/1069557163.db2.gz FIZBKGRUTOORBF-HNNXBMFYSA-N 1 1 400.483 0.569 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC[N@@H+]1CC(C)(C)O ZINC000445202299 1069557159 /nfs/dbraw/zinc/55/71/59/1069557159.db2.gz FIZBKGRUTOORBF-HNNXBMFYSA-N 1 1 400.483 0.569 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC[N@H+]1CC(C)(C)O ZINC000445202301 1069668535 /nfs/dbraw/zinc/66/85/35/1069668535.db2.gz FIZBKGRUTOORBF-OAHLLOKOSA-N 1 1 400.483 0.569 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)CC[N@@H+]1CC(C)(C)O ZINC000445202301 1069668530 /nfs/dbraw/zinc/66/85/30/1069668530.db2.gz FIZBKGRUTOORBF-OAHLLOKOSA-N 1 1 400.483 0.569 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000445204257 1071393475 /nfs/dbraw/zinc/39/34/75/1071393475.db2.gz OAHHAIZXLQICDW-LLVKDONJSA-N 1 1 416.475 -0.285 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000445204257 1071393460 /nfs/dbraw/zinc/39/34/60/1071393460.db2.gz OAHHAIZXLQICDW-LLVKDONJSA-N 1 1 416.475 -0.285 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000445204259 1071393601 /nfs/dbraw/zinc/39/36/01/1071393601.db2.gz OAHHAIZXLQICDW-NSHDSACASA-N 1 1 416.475 -0.285 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000445204259 1071393588 /nfs/dbraw/zinc/39/35/88/1071393588.db2.gz OAHHAIZXLQICDW-NSHDSACASA-N 1 1 416.475 -0.285 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC[N@H+]1CC(C)(C)O ZINC000445204466 1071393841 /nfs/dbraw/zinc/39/38/41/1071393841.db2.gz AULQCUJVFMPVOU-LLVKDONJSA-N 1 1 402.455 -0.096 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC[N@@H+]1CC(C)(C)O ZINC000445204466 1071393829 /nfs/dbraw/zinc/39/38/29/1071393829.db2.gz AULQCUJVFMPVOU-LLVKDONJSA-N 1 1 402.455 -0.096 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC[N@H+]1CC(C)(C)O ZINC000445204471 1071393701 /nfs/dbraw/zinc/39/37/01/1071393701.db2.gz AULQCUJVFMPVOU-NSHDSACASA-N 1 1 402.455 -0.096 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC[N@@H+]1CC(C)(C)O ZINC000445204471 1071393685 /nfs/dbraw/zinc/39/36/85/1071393685.db2.gz AULQCUJVFMPVOU-NSHDSACASA-N 1 1 402.455 -0.096 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000445205515 1071393658 /nfs/dbraw/zinc/39/36/58/1071393658.db2.gz RMXXARSOAMCPAD-CYBMUJFWSA-N 1 1 412.512 -0.163 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000445205515 1071393646 /nfs/dbraw/zinc/39/36/46/1071393646.db2.gz RMXXARSOAMCPAD-CYBMUJFWSA-N 1 1 412.512 -0.163 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000445205516 1071393969 /nfs/dbraw/zinc/39/39/69/1071393969.db2.gz RMXXARSOAMCPAD-ZDUSSCGKSA-N 1 1 412.512 -0.163 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000445205516 1071393950 /nfs/dbraw/zinc/39/39/50/1071393950.db2.gz RMXXARSOAMCPAD-ZDUSSCGKSA-N 1 1 412.512 -0.163 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1OCC(N)=O ZINC000445206566 1071393893 /nfs/dbraw/zinc/39/38/93/1071393893.db2.gz UXRWYNZNMYSGAP-CYBMUJFWSA-N 1 1 422.482 -0.199 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1OCC(N)=O ZINC000445206566 1071393875 /nfs/dbraw/zinc/39/38/75/1071393875.db2.gz UXRWYNZNMYSGAP-CYBMUJFWSA-N 1 1 422.482 -0.199 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1OCC(N)=O ZINC000445206568 1071393798 /nfs/dbraw/zinc/39/37/98/1071393798.db2.gz UXRWYNZNMYSGAP-ZDUSSCGKSA-N 1 1 422.482 -0.199 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1OCC(N)=O ZINC000445206568 1071393782 /nfs/dbraw/zinc/39/37/82/1071393782.db2.gz UXRWYNZNMYSGAP-ZDUSSCGKSA-N 1 1 422.482 -0.199 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000445206871 1071393429 /nfs/dbraw/zinc/39/34/29/1071393429.db2.gz VQGNBRQNIHOVSR-CYBMUJFWSA-N 1 1 412.512 -0.115 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1S(N)(=O)=O ZINC000445206871 1071393413 /nfs/dbraw/zinc/39/34/13/1071393413.db2.gz VQGNBRQNIHOVSR-CYBMUJFWSA-N 1 1 412.512 -0.115 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000445206872 1071393542 /nfs/dbraw/zinc/39/35/42/1071393542.db2.gz VQGNBRQNIHOVSR-ZDUSSCGKSA-N 1 1 412.512 -0.115 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000445206872 1071393536 /nfs/dbraw/zinc/39/35/36/1071393536.db2.gz VQGNBRQNIHOVSR-ZDUSSCGKSA-N 1 1 412.512 -0.115 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1-n1cnnn1 ZINC000445210008 1071393376 /nfs/dbraw/zinc/39/33/76/1071393376.db2.gz ZUUKNUIZXYMAIZ-CYBMUJFWSA-N 1 1 417.470 -0.087 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1-n1cnnn1 ZINC000445210008 1071393358 /nfs/dbraw/zinc/39/33/58/1071393358.db2.gz ZUUKNUIZXYMAIZ-CYBMUJFWSA-N 1 1 417.470 -0.087 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1-n1cnnn1 ZINC000445210009 1071393752 /nfs/dbraw/zinc/39/37/52/1071393752.db2.gz ZUUKNUIZXYMAIZ-ZDUSSCGKSA-N 1 1 417.470 -0.087 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1-n1cnnn1 ZINC000445210009 1071393738 /nfs/dbraw/zinc/39/37/38/1071393738.db2.gz ZUUKNUIZXYMAIZ-ZDUSSCGKSA-N 1 1 417.470 -0.087 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000445493092 1071414219 /nfs/dbraw/zinc/41/42/19/1071414219.db2.gz OATAVFAIAZNGDF-INIZCTEOSA-N 1 1 408.547 -0.465 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC000445493096 1071414241 /nfs/dbraw/zinc/41/42/41/1071414241.db2.gz OATAVFAIAZNGDF-MRXNPFEDSA-N 1 1 408.547 -0.465 20 0 HBADMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000445532179 1071418774 /nfs/dbraw/zinc/41/87/74/1071418774.db2.gz NIZYEONGOWWUCL-MSOLQXFVSA-N 1 1 422.574 -0.088 20 0 HBADMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000445532183 1071418809 /nfs/dbraw/zinc/41/88/09/1071418809.db2.gz NIZYEONGOWWUCL-QZTJIDSGSA-N 1 1 422.574 -0.088 20 0 HBADMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000445532184 1071418766 /nfs/dbraw/zinc/41/87/66/1071418766.db2.gz NIZYEONGOWWUCL-ROUUACIJSA-N 1 1 422.574 -0.088 20 0 HBADMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000445532185 1071418704 /nfs/dbraw/zinc/41/87/04/1071418704.db2.gz NIZYEONGOWWUCL-ZWKOTPCHSA-N 1 1 422.574 -0.088 20 0 HBADMO Cn1ccc(NC(=O)C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)n1 ZINC000445637700 1071424684 /nfs/dbraw/zinc/42/46/84/1071424684.db2.gz OIKGFAHUVQSHOM-UHFFFAOYSA-N 1 1 414.466 0.336 20 0 HBADMO CC(C)C[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000445662711 1071425239 /nfs/dbraw/zinc/42/52/39/1071425239.db2.gz CPLDHFHRTCJVJC-CABCVRRESA-N 1 1 401.533 -0.050 20 0 HBADMO CC(C)C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000445662714 1071425425 /nfs/dbraw/zinc/42/54/25/1071425425.db2.gz CPLDHFHRTCJVJC-GJZGRUSLSA-N 1 1 401.533 -0.050 20 0 HBADMO CC(C)C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000445662715 1071425175 /nfs/dbraw/zinc/42/51/75/1071425175.db2.gz CPLDHFHRTCJVJC-HUUCEWRRSA-N 1 1 401.533 -0.050 20 0 HBADMO CC(C)C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1)[NH+]1CCOCC1 ZINC000445662716 1071425333 /nfs/dbraw/zinc/42/53/33/1071425333.db2.gz CPLDHFHRTCJVJC-LSDHHAIUSA-N 1 1 401.533 -0.050 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445843926 1071439768 /nfs/dbraw/zinc/43/97/68/1071439768.db2.gz VYLIDQMYVYFRAU-CYBMUJFWSA-N 1 1 414.532 -0.806 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)CC1 ZINC000445843927 1071439710 /nfs/dbraw/zinc/43/97/10/1071439710.db2.gz VYLIDQMYVYFRAU-ZDUSSCGKSA-N 1 1 414.532 -0.806 20 0 HBADMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000445880536 1071440445 /nfs/dbraw/zinc/44/04/45/1071440445.db2.gz OEXVENGUVPQSBQ-KRWDZBQOSA-N 1 1 422.574 -0.123 20 0 HBADMO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000445880537 1071440600 /nfs/dbraw/zinc/44/06/00/1071440600.db2.gz OEXVENGUVPQSBQ-QGZVFWFLSA-N 1 1 422.574 -0.123 20 0 HBADMO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000445906334 1071444279 /nfs/dbraw/zinc/44/42/79/1071444279.db2.gz GLZRLWXGBYTXJZ-DLBZAZTESA-N 1 1 408.547 -0.336 20 0 HBADMO 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20 0 HBADMO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000446716476 1071511745 /nfs/dbraw/zinc/51/17/45/1071511745.db2.gz ZXEJQWHQJUJYKZ-MRXNPFEDSA-N 1 1 404.515 0.287 20 0 HBADMO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000446721010 1071512238 /nfs/dbraw/zinc/51/22/38/1071512238.db2.gz QBEXJBCUBBOVQI-UHFFFAOYSA-N 1 1 420.514 -0.523 20 0 HBADMO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(CCN3CCOCC3)CC2)n1 ZINC000446728574 1071513790 /nfs/dbraw/zinc/51/37/90/1071513790.db2.gz KKMHFWHVFREWSR-UHFFFAOYSA-N 1 1 406.531 0.344 20 0 HBADMO Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)c2)n1C ZINC000446729026 1071513700 /nfs/dbraw/zinc/51/37/00/1071513700.db2.gz RHENMHAADYGGGN-FQEVSTJZSA-N 1 1 416.482 -0.072 20 0 HBADMO Cc1nnc(-c2cccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)c2)n1C ZINC000446729027 1071513833 /nfs/dbraw/zinc/51/38/33/1071513833.db2.gz RHENMHAADYGGGN-HXUWFJFHSA-N 1 1 416.482 -0.072 20 0 HBADMO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000446729490 1071514449 /nfs/dbraw/zinc/51/44/49/1071514449.db2.gz PXOQSUKFNUVADQ-IBGZPJMESA-N 1 1 420.445 -0.147 20 0 HBADMO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000446729491 1069641577 /nfs/dbraw/zinc/64/15/77/1069641577.db2.gz PXOQSUKFNUVADQ-LJQANCHMSA-N 1 1 420.445 -0.147 20 0 HBADMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446743320 1069550805 /nfs/dbraw/zinc/55/08/05/1069550805.db2.gz ULYXJILKCCKIEO-GOSISDBHSA-N 1 1 418.542 0.344 20 0 HBADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446743321 1071515070 /nfs/dbraw/zinc/51/50/70/1071515070.db2.gz ULYXJILKCCKIEO-SFHVURJKSA-N 1 1 418.542 0.344 20 0 HBADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446743346 1071514884 /nfs/dbraw/zinc/51/48/84/1071514884.db2.gz FETLTOSGEGBLHM-UHFFFAOYSA-N 1 1 408.503 -0.931 20 0 HBADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446744068 1069598549 /nfs/dbraw/zinc/59/85/49/1069598549.db2.gz IFGNKHXMSLNILV-KRWDZBQOSA-N 1 1 406.531 0.344 20 0 HBADMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446744069 1069598407 /nfs/dbraw/zinc/59/84/07/1069598407.db2.gz IFGNKHXMSLNILV-QGZVFWFLSA-N 1 1 406.531 0.344 20 0 HBADMO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446747436 1071515700 /nfs/dbraw/zinc/51/57/00/1071515700.db2.gz DNPSQRZIXSAFDU-GOSISDBHSA-N 1 1 418.542 0.535 20 0 HBADMO O=C(Nc1ccn(CCN2CCOCC2)n1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446747437 1069608956 /nfs/dbraw/zinc/60/89/56/1069608956.db2.gz DNPSQRZIXSAFDU-SFHVURJKSA-N 1 1 418.542 0.535 20 0 HBADMO COC(=O)Cn1cc(CC[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)nn1 ZINC000446765360 1071516504 /nfs/dbraw/zinc/51/65/04/1071516504.db2.gz DBURGBGRBLPORW-UHFFFAOYSA-N 1 1 408.484 -0.537 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446774739 1071517963 /nfs/dbraw/zinc/51/79/63/1071517963.db2.gz GYAMPIQSHIKLAB-KRWDZBQOSA-N 1 1 408.503 -0.619 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000446774740 1071517804 /nfs/dbraw/zinc/51/78/04/1071517804.db2.gz GYAMPIQSHIKLAB-QGZVFWFLSA-N 1 1 408.503 -0.619 20 0 HBADMO COc1ccc(-c2nc(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)n[nH]2)cc1 ZINC000446777094 1069631972 /nfs/dbraw/zinc/63/19/72/1069631972.db2.gz NGUMNKLCRFAHNC-UHFFFAOYSA-N 1 1 412.454 0.493 20 0 HBADMO COc1ccc(-c2n[nH]c(CNC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)n2)cc1 ZINC000446777094 1069631968 /nfs/dbraw/zinc/63/19/68/1069631968.db2.gz NGUMNKLCRFAHNC-UHFFFAOYSA-N 1 1 412.454 0.493 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000446777508 1071520525 /nfs/dbraw/zinc/52/05/25/1071520525.db2.gz SFSJZELAKUBQGG-INIZCTEOSA-N 1 1 408.503 -0.762 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)C[NH+]1CCOCC1 ZINC000446777510 1071520331 /nfs/dbraw/zinc/52/03/31/1071520331.db2.gz SFSJZELAKUBQGG-MRXNPFEDSA-N 1 1 408.503 -0.762 20 0 HBADMO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000446777724 1071520637 /nfs/dbraw/zinc/52/06/37/1071520637.db2.gz SNPQUGDRVOPECL-AWEZNQCLSA-N 1 1 417.445 0.109 20 0 HBADMO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000446777727 1069641091 /nfs/dbraw/zinc/64/10/91/1069641091.db2.gz SNPQUGDRVOPECL-CQSZACIVSA-N 1 1 417.445 0.109 20 0 HBADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000446778944 1069644674 /nfs/dbraw/zinc/64/46/74/1069644674.db2.gz YEFKXOSYGBHIEL-QGZVFWFLSA-N 1 1 406.531 0.535 20 0 HBADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446779991 1069566936 /nfs/dbraw/zinc/56/69/36/1069566936.db2.gz FJYSSGAJGHHALX-KRWDZBQOSA-N 1 1 406.531 0.390 20 0 HBADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C1 ZINC000446779992 1069567601 /nfs/dbraw/zinc/56/76/01/1069567601.db2.gz FJYSSGAJGHHALX-QGZVFWFLSA-N 1 1 406.531 0.390 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446794942 1071519826 /nfs/dbraw/zinc/51/98/26/1071519826.db2.gz LISHNECYHVSSNH-KRWDZBQOSA-N 1 1 408.503 -0.931 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446794946 1071519734 /nfs/dbraw/zinc/51/97/34/1071519734.db2.gz LISHNECYHVSSNH-QGZVFWFLSA-N 1 1 408.503 -0.931 20 0 HBADMO CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000446795335 1071519895 /nfs/dbraw/zinc/51/98/95/1071519895.db2.gz MWWRPMVFFUWUNN-UHFFFAOYSA-N 1 1 417.510 -0.170 20 0 HBADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1C ZINC000446798341 1069617240 /nfs/dbraw/zinc/61/72/40/1069617240.db2.gz ZTLDZPLHTAAEKS-DLBZAZTESA-N 1 1 406.531 0.485 20 0 HBADMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1C ZINC000446798342 1069617143 /nfs/dbraw/zinc/61/71/43/1069617143.db2.gz ZTLDZPLHTAAEKS-IAGOWNOFSA-N 1 1 406.531 0.485 20 0 HBADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1C ZINC000446798343 1069617285 /nfs/dbraw/zinc/61/72/85/1069617285.db2.gz ZTLDZPLHTAAEKS-IRXDYDNUSA-N 1 1 406.531 0.485 20 0 HBADMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1C ZINC000446798344 1069617327 /nfs/dbraw/zinc/61/73/27/1069617327.db2.gz ZTLDZPLHTAAEKS-SJORKVTESA-N 1 1 406.531 0.485 20 0 HBADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@H]21 ZINC000446799435 1069554338 /nfs/dbraw/zinc/55/43/38/1069554338.db2.gz NXBMJZIRUVKKBO-DLBZAZTESA-N 1 1 404.515 0.097 20 0 HBADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@H]21 ZINC000446799436 1071523939 /nfs/dbraw/zinc/52/39/39/1071523939.db2.gz NXBMJZIRUVKKBO-IAGOWNOFSA-N 1 1 404.515 0.097 20 0 HBADMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@@H]21 ZINC000446799437 1069554111 /nfs/dbraw/zinc/55/41/11/1069554111.db2.gz NXBMJZIRUVKKBO-IRXDYDNUSA-N 1 1 404.515 0.097 20 0 HBADMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccn(CCN4CCOCC4)n3)CC[C@@H]21 ZINC000446799438 1069554279 /nfs/dbraw/zinc/55/42/79/1069554279.db2.gz NXBMJZIRUVKKBO-SJORKVTESA-N 1 1 404.515 0.097 20 0 HBADMO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000446804389 1071524700 /nfs/dbraw/zinc/52/47/00/1071524700.db2.gz SADLHVAXTXAEKU-KRWDZBQOSA-N 1 1 420.514 -0.666 20 0 HBADMO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000446804390 1071524625 /nfs/dbraw/zinc/52/46/25/1071524625.db2.gz SADLHVAXTXAEKU-QGZVFWFLSA-N 1 1 420.514 -0.666 20 0 HBADMO CNC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000446808521 1071525908 /nfs/dbraw/zinc/52/59/08/1071525908.db2.gz CMCAOZCYLPHDIU-UHFFFAOYSA-N 1 1 403.483 -0.099 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446812738 1071522653 /nfs/dbraw/zinc/52/26/53/1071522653.db2.gz BQGURMLXNIBZTL-HNNXBMFYSA-N 1 1 406.487 -0.519 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446812739 1071522479 /nfs/dbraw/zinc/52/24/79/1071522479.db2.gz BQGURMLXNIBZTL-OAHLLOKOSA-N 1 1 406.487 -0.519 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000446813436 1069664166 /nfs/dbraw/zinc/66/41/66/1069664166.db2.gz GHKQPULPVFSOAZ-UHFFFAOYSA-N 1 1 404.393 0.006 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccnn2Cc2ccccn2)CC1 ZINC000446814790 1071523336 /nfs/dbraw/zinc/52/33/36/1071523336.db2.gz NBFPNPFDUZHADJ-UHFFFAOYSA-N 1 1 413.482 -0.113 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)CC1 ZINC000446814794 1071523408 /nfs/dbraw/zinc/52/34/08/1071523408.db2.gz NCVAOOXIZIPQHK-UHFFFAOYSA-N 1 1 413.482 -0.113 20 0 HBADMO CNS(=O)(=O)c1ccccc1N1CC[NH+](CCc2cn(CC(=O)OC)nn2)CC1 ZINC000446843515 1071527480 /nfs/dbraw/zinc/52/74/80/1071527480.db2.gz NZOLIZSRQBNJLS-UHFFFAOYSA-N 1 1 422.511 -0.276 20 0 HBADMO CCN(C(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000446844579 1069609522 /nfs/dbraw/zinc/60/95/22/1069609522.db2.gz HTANPNFEBPMIQK-INIZCTEOSA-N 1 1 413.482 0.086 20 0 HBADMO CCN(C(=O)C(=O)Nc1ncn(CC(=O)NC)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 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/nfs/dbraw/zinc/53/37/34/1071533734.db2.gz LDUIELAHXNNYFQ-KRWDZBQOSA-N 1 1 406.549 -0.429 20 0 HBADMO CC(C)S(=O)(=O)N1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000446928395 1071533580 /nfs/dbraw/zinc/53/35/80/1071533580.db2.gz LDUIELAHXNNYFQ-QGZVFWFLSA-N 1 1 406.549 -0.429 20 0 HBADMO Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000446960782 1071535700 /nfs/dbraw/zinc/53/57/00/1071535700.db2.gz QBGJMJAKZRUBFB-UHFFFAOYSA-N 1 1 420.495 -0.275 20 0 HBADMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)sc1S(N)(=O)=O ZINC000446965258 1071535540 /nfs/dbraw/zinc/53/55/40/1071535540.db2.gz LZLYSOIGWHWMBM-JTQLQIEISA-N 1 1 404.514 -0.279 20 0 HBADMO COc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)sc1S(N)(=O)=O ZINC000446965259 1071536377 /nfs/dbraw/zinc/53/63/77/1071536377.db2.gz LZLYSOIGWHWMBM-SNVBAGLBSA-N 1 1 404.514 -0.279 20 0 HBADMO Cc1oc(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)cc1S(N)(=O)=O ZINC000446965408 1071535524 /nfs/dbraw/zinc/53/55/24/1071535524.db2.gz 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NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)c1 ZINC000462277403 1071266421 /nfs/dbraw/zinc/26/64/21/1071266421.db2.gz NUPQYVVJDLMUPW-KDOFPFPSSA-N 1 1 406.464 -0.432 20 0 HBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)c1 ZINC000462277405 1071266728 /nfs/dbraw/zinc/26/67/28/1071266728.db2.gz NUPQYVVJDLMUPW-KSSFIOAISA-N 1 1 406.464 -0.432 20 0 HBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([N@@H+]3CCC[C@]4(CNC(=O)C4)C3)C2=O)c1 ZINC000462277405 1071266715 /nfs/dbraw/zinc/26/67/15/1071266715.db2.gz NUPQYVVJDLMUPW-KSSFIOAISA-N 1 1 406.464 -0.432 20 0 HBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@@]4(CNC(=O)C4)C3)C2=O)c1 ZINC000462277408 1071266652 /nfs/dbraw/zinc/26/66/52/1071266652.db2.gz NUPQYVVJDLMUPW-RDTXWAMCSA-N 1 1 406.464 -0.432 20 0 HBADMO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([N@@H+]3CCC[C@@]4(CNC(=O)C4)C3)C2=O)c1 ZINC000462277408 1071266642 /nfs/dbraw/zinc/26/66/42/1071266642.db2.gz NUPQYVVJDLMUPW-RDTXWAMCSA-N 1 1 406.464 -0.432 20 0 HBADMO CC(=O)NCC1CC[NH+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000462278200 1071267447 /nfs/dbraw/zinc/26/74/47/1071267447.db2.gz KVZJCSAPOUBXKP-INIZCTEOSA-N 1 1 408.480 -0.186 20 0 HBADMO CC(=O)NCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)CC1 ZINC000462278202 1071267465 /nfs/dbraw/zinc/26/74/65/1071267465.db2.gz KVZJCSAPOUBXKP-MRXNPFEDSA-N 1 1 408.480 -0.186 20 0 HBADMO COCCOC[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280540 1071268014 /nfs/dbraw/zinc/26/80/14/1071268014.db2.gz OFYSMUVCGJMWFP-BBRMVZONSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280540 1071268012 /nfs/dbraw/zinc/26/80/12/1071268012.db2.gz OFYSMUVCGJMWFP-BBRMVZONSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280541 1071268216 /nfs/dbraw/zinc/26/82/16/1071268216.db2.gz OFYSMUVCGJMWFP-CJNGLKHVSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280541 1071268208 /nfs/dbraw/zinc/26/82/08/1071268208.db2.gz OFYSMUVCGJMWFP-CJNGLKHVSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280542 1071268161 /nfs/dbraw/zinc/26/81/61/1071268161.db2.gz OFYSMUVCGJMWFP-CZUORRHYSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280542 1071268156 /nfs/dbraw/zinc/26/81/56/1071268156.db2.gz OFYSMUVCGJMWFP-CZUORRHYSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280543 1071267973 /nfs/dbraw/zinc/26/79/73/1071267973.db2.gz OFYSMUVCGJMWFP-XJKSGUPXSA-N 1 1 411.480 -0.049 20 0 HBADMO COCCOC[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2=O)C1 ZINC000462280543 1071267969 /nfs/dbraw/zinc/26/79/69/1071267969.db2.gz OFYSMUVCGJMWFP-XJKSGUPXSA-N 1 1 411.480 -0.049 20 0 HBADMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462283283 1071268054 /nfs/dbraw/zinc/26/80/54/1071268054.db2.gz ZYIMJMHKZZOCNB-CYBMUJFWSA-N 1 1 423.499 -0.237 20 0 HBADMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1nc(CS(C)(=O)=O)no1 ZINC000462283285 1071268182 /nfs/dbraw/zinc/26/81/82/1071268182.db2.gz ZYIMJMHKZZOCNB-ZDUSSCGKSA-N 1 1 423.499 -0.237 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000462296168 1071270267 /nfs/dbraw/zinc/27/02/67/1071270267.db2.gz ZXZICTHTAPQBHG-UHFFFAOYSA-N 1 1 423.499 -0.235 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000462302474 1071270237 /nfs/dbraw/zinc/27/02/37/1071270237.db2.gz WJYXYEVJTVFACS-KBPBESRZSA-N 1 1 409.468 -0.207 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000462302475 1071270117 /nfs/dbraw/zinc/27/01/17/1071270117.db2.gz WJYXYEVJTVFACS-KGLIPLIRSA-N 1 1 409.468 -0.207 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000462302476 1071270161 /nfs/dbraw/zinc/27/01/61/1071270161.db2.gz WJYXYEVJTVFACS-UONOGXRCSA-N 1 1 409.468 -0.207 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)n1 ZINC000462302477 1071270402 /nfs/dbraw/zinc/27/04/02/1071270402.db2.gz WJYXYEVJTVFACS-ZIAGYGMSSA-N 1 1 409.468 -0.207 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC000462311347 1071271073 /nfs/dbraw/zinc/27/10/73/1071271073.db2.gz IOMAVBVVJBBUKA-UHFFFAOYSA-N 1 1 403.443 -0.627 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331367 1071274498 /nfs/dbraw/zinc/27/44/98/1071274498.db2.gz JVHZUBHBEGZRHP-NEPJUHHUSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331367 1071274491 /nfs/dbraw/zinc/27/44/91/1071274491.db2.gz JVHZUBHBEGZRHP-NEPJUHHUSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331368 1071274544 /nfs/dbraw/zinc/27/45/44/1071274544.db2.gz JVHZUBHBEGZRHP-NWDGAFQWSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331368 1071274540 /nfs/dbraw/zinc/27/45/40/1071274540.db2.gz JVHZUBHBEGZRHP-NWDGAFQWSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331369 1071274383 /nfs/dbraw/zinc/27/43/83/1071274383.db2.gz JVHZUBHBEGZRHP-RYUDHWBXSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331369 1071274377 /nfs/dbraw/zinc/27/43/77/1071274377.db2.gz JVHZUBHBEGZRHP-RYUDHWBXSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331370 1071274422 /nfs/dbraw/zinc/27/44/22/1071274422.db2.gz JVHZUBHBEGZRHP-VXGBXAGGSA-N 1 1 423.944 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000462331370 1071274417 /nfs/dbraw/zinc/27/44/17/1071274417.db2.gz JVHZUBHBEGZRHP-VXGBXAGGSA-N 1 1 423.944 -0.338 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@H]3CO)CC2)cc1C ZINC000462334219 1071274455 /nfs/dbraw/zinc/27/44/55/1071274455.db2.gz PZNYSDKLNMHPCG-DLBZAZTESA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@H]3CO)CC2)cc1C ZINC000462334219 1071274445 /nfs/dbraw/zinc/27/44/45/1071274445.db2.gz PZNYSDKLNMHPCG-DLBZAZTESA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@H](O)C[C@@H]3CO)CC2)cc1C ZINC000462334227 1071274670 /nfs/dbraw/zinc/27/46/70/1071274670.db2.gz PZNYSDKLNMHPCG-IAGOWNOFSA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@H](O)C[C@@H]3CO)CC2)cc1C ZINC000462334227 1071274661 /nfs/dbraw/zinc/27/46/61/1071274661.db2.gz PZNYSDKLNMHPCG-IAGOWNOFSA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3CO)CC2)cc1C ZINC000462334229 1071274624 /nfs/dbraw/zinc/27/46/24/1071274624.db2.gz PZNYSDKLNMHPCG-IRXDYDNUSA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@H]3CO)CC2)cc1C ZINC000462334229 1071274612 /nfs/dbraw/zinc/27/46/12/1071274612.db2.gz PZNYSDKLNMHPCG-IRXDYDNUSA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3C[C@@H](O)C[C@@H]3CO)CC2)cc1C ZINC000462334231 1071274350 /nfs/dbraw/zinc/27/43/50/1071274350.db2.gz PZNYSDKLNMHPCG-SJORKVTESA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3C[C@@H](O)C[C@@H]3CO)CC2)cc1C ZINC000462334231 1071274341 /nfs/dbraw/zinc/27/43/41/1071274341.db2.gz PZNYSDKLNMHPCG-SJORKVTESA-N 1 1 411.524 -0.436 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000462335341 1071277690 /nfs/dbraw/zinc/27/76/90/1071277690.db2.gz BJTWMGXQALBKIF-MSOLQXFVSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000462335341 1071277687 /nfs/dbraw/zinc/27/76/87/1071277687.db2.gz BJTWMGXQALBKIF-MSOLQXFVSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000462335346 1071277654 /nfs/dbraw/zinc/27/76/54/1071277654.db2.gz BJTWMGXQALBKIF-QZTJIDSGSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000462335346 1071277649 /nfs/dbraw/zinc/27/76/49/1071277649.db2.gz BJTWMGXQALBKIF-QZTJIDSGSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000462335349 1071277274 /nfs/dbraw/zinc/27/72/74/1071277274.db2.gz BJTWMGXQALBKIF-ROUUACIJSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000462335349 1071277266 /nfs/dbraw/zinc/27/72/66/1071277266.db2.gz BJTWMGXQALBKIF-ROUUACIJSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000462335351 1071277605 /nfs/dbraw/zinc/27/76/05/1071277605.db2.gz BJTWMGXQALBKIF-ZWKOTPCHSA-N 1 1 404.511 -0.186 20 0 HBADMO Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000462335351 1071277592 /nfs/dbraw/zinc/27/75/92/1071277592.db2.gz BJTWMGXQALBKIF-ZWKOTPCHSA-N 1 1 404.511 -0.186 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336495 1071277565 /nfs/dbraw/zinc/27/75/65/1071277565.db2.gz QZFQNWTWCIZHFU-CABCVRRESA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336495 1071277557 /nfs/dbraw/zinc/27/75/57/1071277557.db2.gz QZFQNWTWCIZHFU-CABCVRRESA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336496 1071277671 /nfs/dbraw/zinc/27/76/71/1071277671.db2.gz QZFQNWTWCIZHFU-GJZGRUSLSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336496 1071277665 /nfs/dbraw/zinc/27/76/65/1071277665.db2.gz QZFQNWTWCIZHFU-GJZGRUSLSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336497 1071277509 /nfs/dbraw/zinc/27/75/09/1071277509.db2.gz QZFQNWTWCIZHFU-HUUCEWRRSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336497 1071277493 /nfs/dbraw/zinc/27/74/93/1071277493.db2.gz QZFQNWTWCIZHFU-HUUCEWRRSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336498 1071277624 /nfs/dbraw/zinc/27/76/24/1071277624.db2.gz QZFQNWTWCIZHFU-LSDHHAIUSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000462336498 1071277617 /nfs/dbraw/zinc/27/76/17/1071277617.db2.gz QZFQNWTWCIZHFU-LSDHHAIUSA-N 1 1 401.460 -0.914 20 0 HBADMO 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O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337810 1071278432 /nfs/dbraw/zinc/27/84/32/1071278432.db2.gz FHYXGNQGJOOPGY-HUUCEWRRSA-N 1 1 417.915 -0.400 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337811 1071278278 /nfs/dbraw/zinc/27/82/78/1071278278.db2.gz FHYXGNQGJOOPGY-LSDHHAIUSA-N 1 1 417.915 -0.400 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000462337811 1071278270 /nfs/dbraw/zinc/27/82/70/1071278270.db2.gz FHYXGNQGJOOPGY-LSDHHAIUSA-N 1 1 417.915 -0.400 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338340 1071278461 /nfs/dbraw/zinc/27/84/61/1071278461.db2.gz FRDPWYSPUDQDQL-CHWSQXEVSA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338340 1071278446 /nfs/dbraw/zinc/27/84/46/1071278446.db2.gz FRDPWYSPUDQDQL-CHWSQXEVSA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338341 1071278304 /nfs/dbraw/zinc/27/83/04/1071278304.db2.gz FRDPWYSPUDQDQL-OLZOCXBDSA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338341 1071278297 /nfs/dbraw/zinc/27/82/97/1071278297.db2.gz FRDPWYSPUDQDQL-OLZOCXBDSA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338342 1071278114 /nfs/dbraw/zinc/27/81/14/1071278114.db2.gz FRDPWYSPUDQDQL-QWHCGFSZSA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338342 1071278098 /nfs/dbraw/zinc/27/80/98/1071278098.db2.gz FRDPWYSPUDQDQL-QWHCGFSZSA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338343 1071278364 /nfs/dbraw/zinc/27/83/64/1071278364.db2.gz FRDPWYSPUDQDQL-STQMWFEESA-N 1 1 419.450 -0.775 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000462338343 1071278358 /nfs/dbraw/zinc/27/83/58/1071278358.db2.gz FRDPWYSPUDQDQL-STQMWFEESA-N 1 1 419.450 -0.775 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000462340815 1071276008 /nfs/dbraw/zinc/27/60/08/1071276008.db2.gz MRYIMEKVDWVKLH-MSOLQXFVSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000462340815 1071276003 /nfs/dbraw/zinc/27/60/03/1071276003.db2.gz MRYIMEKVDWVKLH-MSOLQXFVSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000462340817 1071275852 /nfs/dbraw/zinc/27/58/52/1071275852.db2.gz MRYIMEKVDWVKLH-QZTJIDSGSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2CO)CC1 ZINC000462340817 1071275847 /nfs/dbraw/zinc/27/58/47/1071275847.db2.gz MRYIMEKVDWVKLH-QZTJIDSGSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000462340819 1071275870 /nfs/dbraw/zinc/27/58/70/1071275870.db2.gz MRYIMEKVDWVKLH-ROUUACIJSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000462340819 1071275868 /nfs/dbraw/zinc/27/58/68/1071275868.db2.gz MRYIMEKVDWVKLH-ROUUACIJSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000462340821 1071275885 /nfs/dbraw/zinc/27/58/85/1071275885.db2.gz MRYIMEKVDWVKLH-ZWKOTPCHSA-N 1 1 404.511 -0.241 20 0 HBADMO CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000462340821 1071275880 /nfs/dbraw/zinc/27/58/80/1071275880.db2.gz MRYIMEKVDWVKLH-ZWKOTPCHSA-N 1 1 404.511 -0.241 20 0 HBADMO COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000462345336 1071276734 /nfs/dbraw/zinc/27/67/34/1071276734.db2.gz HBJCSZXMXPRVNU-UHFFFAOYSA-N 1 1 409.472 -0.577 20 0 HBADMO 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O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000462349731 1071281504 /nfs/dbraw/zinc/28/15/04/1071281504.db2.gz WUASOFAHUGKVBT-IRXDYDNUSA-N 1 1 411.524 -0.095 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000462349732 1071281640 /nfs/dbraw/zinc/28/16/40/1071281640.db2.gz WUASOFAHUGKVBT-SJORKVTESA-N 1 1 411.524 -0.095 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000462349732 1071281630 /nfs/dbraw/zinc/28/16/30/1071281630.db2.gz WUASOFAHUGKVBT-SJORKVTESA-N 1 1 411.524 -0.095 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350454 1071279147 /nfs/dbraw/zinc/27/91/47/1071279147.db2.gz SNYQDFOSVQOISH-MSOLQXFVSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350454 1071279137 /nfs/dbraw/zinc/27/91/37/1071279137.db2.gz SNYQDFOSVQOISH-MSOLQXFVSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350458 1071279297 /nfs/dbraw/zinc/27/92/97/1071279297.db2.gz SNYQDFOSVQOISH-QZTJIDSGSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350458 1071279291 /nfs/dbraw/zinc/27/92/91/1071279291.db2.gz SNYQDFOSVQOISH-QZTJIDSGSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350460 1071279279 /nfs/dbraw/zinc/27/92/79/1071279279.db2.gz SNYQDFOSVQOISH-ROUUACIJSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350460 1071279275 /nfs/dbraw/zinc/27/92/75/1071279275.db2.gz SNYQDFOSVQOISH-ROUUACIJSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350462 1071279066 /nfs/dbraw/zinc/27/90/66/1071279066.db2.gz SNYQDFOSVQOISH-ZWKOTPCHSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000462350462 1071279057 /nfs/dbraw/zinc/27/90/57/1071279057.db2.gz SNYQDFOSVQOISH-ZWKOTPCHSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357876 1071280653 /nfs/dbraw/zinc/28/06/53/1071280653.db2.gz KAYIIBGRTGMYPU-KBPBESRZSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357876 1071280645 /nfs/dbraw/zinc/28/06/45/1071280645.db2.gz KAYIIBGRTGMYPU-KBPBESRZSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357877 1071280756 /nfs/dbraw/zinc/28/07/56/1071280756.db2.gz KAYIIBGRTGMYPU-KGLIPLIRSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357877 1071280746 /nfs/dbraw/zinc/28/07/46/1071280746.db2.gz KAYIIBGRTGMYPU-KGLIPLIRSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357878 1071280470 /nfs/dbraw/zinc/28/04/70/1071280470.db2.gz KAYIIBGRTGMYPU-UONOGXRCSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357878 1071280462 /nfs/dbraw/zinc/28/04/62/1071280462.db2.gz KAYIIBGRTGMYPU-UONOGXRCSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357879 1071280732 /nfs/dbraw/zinc/28/07/32/1071280732.db2.gz KAYIIBGRTGMYPU-ZIAGYGMSSA-N 1 1 401.460 -0.914 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1CO)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000462357879 1071280723 /nfs/dbraw/zinc/28/07/23/1071280723.db2.gz KAYIIBGRTGMYPU-ZIAGYGMSSA-N 1 1 401.460 -0.914 20 0 HBADMO CCOC(=O)CCCS(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000462407296 1071284594 /nfs/dbraw/zinc/28/45/94/1071284594.db2.gz DXZPLLWWMPOOSZ-UHFFFAOYSA-N 1 1 401.489 -0.258 20 0 HBADMO COC(=O)Cn1cc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000462431544 1071287562 /nfs/dbraw/zinc/28/75/62/1071287562.db2.gz WQTAYJZOUZODAO-UHFFFAOYSA-N 1 1 413.500 -0.769 20 0 HBADMO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000462537797 1071300679 /nfs/dbraw/zinc/30/06/79/1071300679.db2.gz WTMOAQQCOCEKAX-INIZCTEOSA-N 1 1 419.511 -0.196 20 0 HBADMO Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000462537798 1071300590 /nfs/dbraw/zinc/30/05/90/1071300590.db2.gz WTMOAQQCOCEKAX-MRXNPFEDSA-N 1 1 419.511 -0.196 20 0 HBADMO Cn1ccnc(NC[C@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)CCO2)c1=O ZINC000462549271 1069540596 /nfs/dbraw/zinc/54/05/96/1069540596.db2.gz LHASTRFSJWIJTC-HNNXBMFYSA-N 1 1 402.455 0.317 20 0 HBADMO Cn1ccnc(NC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)CCO2)c1=O ZINC000462549276 1069540094 /nfs/dbraw/zinc/54/00/94/1069540094.db2.gz LHASTRFSJWIJTC-OAHLLOKOSA-N 1 1 402.455 0.317 20 0 HBADMO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000462668820 1071307425 /nfs/dbraw/zinc/30/74/25/1071307425.db2.gz OJSPFHQMSBSRJJ-LLVKDONJSA-N 1 1 402.498 -0.143 20 0 HBADMO COC(=O)c1ncsc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000462668821 1071307777 /nfs/dbraw/zinc/30/77/77/1071307777.db2.gz OJSPFHQMSBSRJJ-NSHDSACASA-N 1 1 402.498 -0.143 20 0 HBADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674865 1071307601 /nfs/dbraw/zinc/30/76/01/1071307601.db2.gz ABNINFAIAPCGPD-DOTOQJQBSA-N 1 1 416.569 -0.082 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674866 1071307731 /nfs/dbraw/zinc/30/77/31/1071307731.db2.gz ABNINFAIAPCGPD-NVXWUHKLSA-N 1 1 416.569 -0.082 20 0 HBADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674867 1071307530 /nfs/dbraw/zinc/30/75/30/1071307530.db2.gz ABNINFAIAPCGPD-RDJZCZTQSA-N 1 1 416.569 -0.082 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000462674868 1071307704 /nfs/dbraw/zinc/30/77/04/1071307704.db2.gz ABNINFAIAPCGPD-WBVHZDCISA-N 1 1 416.569 -0.082 20 0 HBADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)CC1 ZINC000462691126 1071310076 /nfs/dbraw/zinc/31/00/76/1071310076.db2.gz KAGIWZHACTZMKL-UHFFFAOYSA-N 1 1 406.508 -0.036 20 0 HBADMO COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000462693734 1071308789 /nfs/dbraw/zinc/30/87/89/1071308789.db2.gz ZFCOIQQYJCPAEZ-LLVKDONJSA-N 1 1 402.498 -0.143 20 0 HBADMO COC(=O)c1ncsc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000462693735 1071308641 /nfs/dbraw/zinc/30/86/41/1071308641.db2.gz ZFCOIQQYJCPAEZ-NSHDSACASA-N 1 1 402.498 -0.143 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462710789 1071310699 /nfs/dbraw/zinc/31/06/99/1071310699.db2.gz MZWXWNHAOSQDPQ-KRWDZBQOSA-N 1 1 409.468 -0.205 20 0 HBADMO CS(=O)(=O)Cc1noc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000462710792 1071310867 /nfs/dbraw/zinc/31/08/67/1071310867.db2.gz MZWXWNHAOSQDPQ-QGZVFWFLSA-N 1 1 409.468 -0.205 20 0 HBADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C1 ZINC000462744070 1071313508 /nfs/dbraw/zinc/31/35/08/1071313508.db2.gz XWBZEIMOETVNHB-INIZCTEOSA-N 1 1 405.565 -0.686 20 0 HBADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)C1 ZINC000462744071 1071313114 /nfs/dbraw/zinc/31/31/14/1071313114.db2.gz XWBZEIMOETVNHB-MRXNPFEDSA-N 1 1 405.565 -0.686 20 0 HBADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCS(=O)(=O)N(C)C)CC2)CC1 ZINC000462744809 1071314047 /nfs/dbraw/zinc/31/40/47/1071314047.db2.gz WXLYJXUPXCIQPY-UHFFFAOYSA-N 1 1 417.576 -0.146 20 0 HBADMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NCCS(=O)(=O)N(C)C)cc[nH+]1 ZINC000462745036 1071314192 /nfs/dbraw/zinc/31/41/92/1071314192.db2.gz YEZWLUTWCDKTIY-STQMWFEESA-N 1 1 417.511 -0.350 20 0 HBADMO Cn1c(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000462824316 1071317861 /nfs/dbraw/zinc/31/78/61/1071317861.db2.gz DGCJLGDYLAISRW-AWEZNQCLSA-N 1 1 414.466 -0.066 20 0 HBADMO Cn1c(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000462824317 1071317639 /nfs/dbraw/zinc/31/76/39/1071317639.db2.gz DGCJLGDYLAISRW-CQSZACIVSA-N 1 1 414.466 -0.066 20 0 HBADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)C1 ZINC000462825942 1071317774 /nfs/dbraw/zinc/31/77/74/1071317774.db2.gz AWBOGAZSOIDHJP-AWEZNQCLSA-N 1 1 405.503 -0.396 20 0 HBADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)C1 ZINC000462825943 1071317973 /nfs/dbraw/zinc/31/79/73/1071317973.db2.gz AWBOGAZSOIDHJP-CQSZACIVSA-N 1 1 405.503 -0.396 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC(=O)N(C)C3)cc2)CC1 ZINC000462927971 1071325813 /nfs/dbraw/zinc/32/58/13/1071325813.db2.gz PUTNKRPFJZRKBL-UHFFFAOYSA-N 1 1 401.467 -0.410 20 0 HBADMO CN1CN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)CC1=O ZINC000462928606 1071325880 /nfs/dbraw/zinc/32/58/80/1071325880.db2.gz XEIFPZPNJRLYDT-UHFFFAOYSA-N 1 1 421.429 -0.317 20 0 HBADMO CN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC1=O ZINC000462928901 1071326016 /nfs/dbraw/zinc/32/60/16/1071326016.db2.gz UBZCXAULWHMNKM-UHFFFAOYSA-N 1 1 423.495 -0.791 20 0 HBADMO CN1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC1=O ZINC000462928901 1071326008 /nfs/dbraw/zinc/32/60/08/1071326008.db2.gz UBZCXAULWHMNKM-UHFFFAOYSA-N 1 1 423.495 -0.791 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N1CC(=O)N(C)C1 ZINC000462929683 1071325965 /nfs/dbraw/zinc/32/59/65/1071325965.db2.gz YBHDPGRDCXDUTQ-UHFFFAOYSA-N 1 1 403.439 -0.721 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000462953264 1069562200 /nfs/dbraw/zinc/56/22/00/1069562200.db2.gz MDAQSONRBNBMKX-PBHICJAKSA-N 1 1 412.494 0.513 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1C ZINC000462953265 1069561679 /nfs/dbraw/zinc/56/16/79/1069561679.db2.gz MDAQSONRBNBMKX-RHSMWYFYSA-N 1 1 412.494 0.513 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000462953266 1069561594 /nfs/dbraw/zinc/56/15/94/1069561594.db2.gz MDAQSONRBNBMKX-WMLDXEAASA-N 1 1 412.494 0.513 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1C ZINC000462953267 1069562248 /nfs/dbraw/zinc/56/22/48/1069562248.db2.gz MDAQSONRBNBMKX-YOEHRIQHSA-N 1 1 412.494 0.513 20 0 HBADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957338 1071327547 /nfs/dbraw/zinc/32/75/47/1071327547.db2.gz KARAYIVJJWSQOU-DOTOQJQBSA-N 1 1 412.494 0.547 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957339 1071327782 /nfs/dbraw/zinc/32/77/82/1071327782.db2.gz KARAYIVJJWSQOU-NVXWUHKLSA-N 1 1 412.494 0.547 20 0 HBADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957340 1071327706 /nfs/dbraw/zinc/32/77/06/1071327706.db2.gz KARAYIVJJWSQOU-RDJZCZTQSA-N 1 1 412.494 0.547 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000462957341 1071327366 /nfs/dbraw/zinc/32/73/66/1071327366.db2.gz KARAYIVJJWSQOU-WBVHZDCISA-N 1 1 412.494 0.547 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968001 1071328215 /nfs/dbraw/zinc/32/82/15/1071328215.db2.gz NHKPIADGFMYSLI-GDBMZVCRSA-N 1 1 413.482 -0.059 20 0 HBADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968002 1071329180 /nfs/dbraw/zinc/32/91/80/1071329180.db2.gz NHKPIADGFMYSLI-GOEBONIOSA-N 1 1 413.482 -0.059 20 0 HBADMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968003 1071328871 /nfs/dbraw/zinc/32/88/71/1071328871.db2.gz NHKPIADGFMYSLI-HOCLYGCPSA-N 1 1 413.482 -0.059 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000462968004 1071328525 /nfs/dbraw/zinc/32/85/25/1071328525.db2.gz NHKPIADGFMYSLI-ZBFHGGJFSA-N 1 1 413.482 -0.059 20 0 HBADMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)CNC(=O)Cc3ccc(O)cc3)cn2)CC1 ZINC000462987820 1071330308 /nfs/dbraw/zinc/33/03/08/1071330308.db2.gz INQMVEASHHENNE-UHFFFAOYSA-N 1 1 414.466 -0.340 20 0 HBADMO CN(C)S(=O)(=O)CCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000463065651 1071333065 /nfs/dbraw/zinc/33/30/65/1071333065.db2.gz ZNEHXKHUSRKBPZ-UHFFFAOYSA-N 1 1 403.549 -0.537 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463102613 1071338619 /nfs/dbraw/zinc/33/86/19/1071338619.db2.gz QTHXYCJHCGYNRY-UHFFFAOYSA-N 1 1 424.523 -0.334 20 0 HBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2C[C@@H](O)C[C@@H]2CO)c1 ZINC000463147799 1071344885 /nfs/dbraw/zinc/34/48/85/1071344885.db2.gz BSOYIDRCLLUVAF-MSOLQXFVSA-N 1 1 406.483 -0.016 20 0 HBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2C[C@H](O)C[C@@H]2CO)c1 ZINC000463147800 1071344933 /nfs/dbraw/zinc/34/49/33/1071344933.db2.gz BSOYIDRCLLUVAF-QZTJIDSGSA-N 1 1 406.483 -0.016 20 0 HBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2C[C@@H](O)C[C@H]2CO)c1 ZINC000463147801 1071344783 /nfs/dbraw/zinc/34/47/83/1071344783.db2.gz BSOYIDRCLLUVAF-ROUUACIJSA-N 1 1 406.483 -0.016 20 0 HBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2C[C@H](O)C[C@H]2CO)c1 ZINC000463147802 1071344828 /nfs/dbraw/zinc/34/48/28/1071344828.db2.gz BSOYIDRCLLUVAF-ZWKOTPCHSA-N 1 1 406.483 -0.016 20 0 HBADMO CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194616 1071347286 /nfs/dbraw/zinc/34/72/86/1071347286.db2.gz SHAYKFKLFMLYFC-KBPBESRZSA-N 1 1 404.533 -0.305 20 0 HBADMO CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194628 1071347056 /nfs/dbraw/zinc/34/70/56/1071347056.db2.gz SHAYKFKLFMLYFC-KGLIPLIRSA-N 1 1 404.533 -0.305 20 0 HBADMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194629 1071347339 /nfs/dbraw/zinc/34/73/39/1071347339.db2.gz SHAYKFKLFMLYFC-UONOGXRCSA-N 1 1 404.533 -0.305 20 0 HBADMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(NS(=O)(=O)NC)CC2)C1 ZINC000463194631 1071347089 /nfs/dbraw/zinc/34/70/89/1071347089.db2.gz SHAYKFKLFMLYFC-ZIAGYGMSSA-N 1 1 404.533 -0.305 20 0 HBADMO CNS(=O)(=O)NC1CCN(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000463200925 1071351990 /nfs/dbraw/zinc/35/19/90/1071351990.db2.gz KNYDCUDUMJIRJV-UHFFFAOYSA-N 1 1 409.556 -0.151 20 0 HBADMO CNS(=O)(=O)NC1CC[NH+](CCN(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000463204481 1071349346 /nfs/dbraw/zinc/34/93/46/1071349346.db2.gz RZKITBDTIXAOIA-UHFFFAOYSA-N 1 1 404.558 -0.034 20 0 HBADMO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC000463207493 1071349921 /nfs/dbraw/zinc/34/99/21/1071349921.db2.gz ZTJWQWMBYGOEPK-UHFFFAOYSA-N 1 1 417.576 -0.390 20 0 HBADMO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000463210488 1071350182 /nfs/dbraw/zinc/35/01/82/1071350182.db2.gz DEAZTYGDVPSZKV-HNNXBMFYSA-N 1 1 410.544 -0.363 20 0 HBADMO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000463210490 1071350361 /nfs/dbraw/zinc/35/03/61/1071350361.db2.gz DEAZTYGDVPSZKV-OAHLLOKOSA-N 1 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COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)C1 ZINC000463686169 1071395318 /nfs/dbraw/zinc/39/53/18/1071395318.db2.gz OLYKKQGMOMNJDZ-QGZVFWFLSA-N 1 1 403.483 -0.606 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463705101 1071397722 /nfs/dbraw/zinc/39/77/22/1071397722.db2.gz FGSJKOCCDYKKBD-AWEZNQCLSA-N 1 1 416.438 -0.171 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3cc(C(=O)OC)nn3)c2)C1 ZINC000463705103 1071398304 /nfs/dbraw/zinc/39/83/04/1071398304.db2.gz FGSJKOCCDYKKBD-CQSZACIVSA-N 1 1 416.438 -0.171 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C[NH+]1CCOCC1 ZINC000463708220 1071398256 /nfs/dbraw/zinc/39/82/56/1071398256.db2.gz SINYUMLIXQGWGK-INIZCTEOSA-N 1 1 417.510 -0.359 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C[NH+]1CCOCC1 ZINC000463708221 1071398153 /nfs/dbraw/zinc/39/81/53/1071398153.db2.gz SINYUMLIXQGWGK-MRXNPFEDSA-N 1 1 417.510 -0.359 20 0 HBADMO O=C(NCC[NH+]1CCSCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463728874 1071399745 /nfs/dbraw/zinc/39/97/45/1071399745.db2.gz MZALCHAUYOAMLC-UHFFFAOYSA-N 1 1 405.524 -0.278 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463732224 1071399772 /nfs/dbraw/zinc/39/97/72/1071399772.db2.gz UOZBYSXZJLENPS-GOSISDBHSA-N 1 1 417.510 -0.216 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463732225 1071400004 /nfs/dbraw/zinc/40/00/04/1071400004.db2.gz UOZBYSXZJLENPS-SFHVURJKSA-N 1 1 417.510 -0.216 20 0 HBADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@]3(O)CC[N@@H+](C)C3)c2)nn1 ZINC000463786939 1071410495 /nfs/dbraw/zinc/41/04/95/1071410495.db2.gz MQFLZRDINHSIBV-GOSISDBHSA-N 1 1 402.411 -0.825 20 0 HBADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)c2)nn1 ZINC000463786940 1071410565 /nfs/dbraw/zinc/41/05/65/1071410565.db2.gz MQFLZRDINHSIBV-SFHVURJKSA-N 1 1 402.411 -0.825 20 0 HBADMO O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463795421 1071406956 /nfs/dbraw/zinc/40/69/56/1071406956.db2.gz AGEFTKPJGZJCFB-UHFFFAOYSA-N 1 1 403.483 -0.605 20 0 HBADMO O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463795421 1071406952 /nfs/dbraw/zinc/40/69/52/1071406952.db2.gz AGEFTKPJGZJCFB-UHFFFAOYSA-N 1 1 403.483 -0.605 20 0 HBADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@H+]3CCCOCC3)c2)nn1 ZINC000463804126 1071411537 /nfs/dbraw/zinc/41/15/37/1071411537.db2.gz ZBLFNLYCPSQBMT-UHFFFAOYSA-N 1 1 416.438 -0.169 20 0 HBADMO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC[N@@H+]3CCCOCC3)c2)nn1 ZINC000463804126 1071411533 /nfs/dbraw/zinc/41/15/33/1071411533.db2.gz ZBLFNLYCPSQBMT-UHFFFAOYSA-N 1 1 416.438 -0.169 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463807979 1071412266 /nfs/dbraw/zinc/41/22/66/1071412266.db2.gz MPMXUHXKPKJCRU-UHFFFAOYSA-N 1 1 410.540 -0.051 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)n1C ZINC000463810174 1071413032 /nfs/dbraw/zinc/41/30/32/1071413032.db2.gz YRBSWHABLNRCAY-UHFFFAOYSA-N 1 1 413.482 -0.327 20 0 HBADMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463812676 1071413850 /nfs/dbraw/zinc/41/38/50/1071413850.db2.gz XBOFUGDRWOKCIG-INIZCTEOSA-N 1 1 422.507 -0.676 20 0 HBADMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463812677 1071413942 /nfs/dbraw/zinc/41/39/42/1071413942.db2.gz XBOFUGDRWOKCIG-MRXNPFEDSA-N 1 1 422.507 -0.676 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463816636 1071416162 /nfs/dbraw/zinc/41/61/62/1071416162.db2.gz ILNUEKQAYZVLRL-HNNXBMFYSA-N 1 1 410.540 -0.051 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000463816637 1071416070 /nfs/dbraw/zinc/41/60/70/1071416070.db2.gz ILNUEKQAYZVLRL-OAHLLOKOSA-N 1 1 410.540 -0.051 20 0 HBADMO C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3cn(Cc4ccccn4)nn3)cn2)CC1 ZINC000463880586 1071426081 /nfs/dbraw/zinc/42/60/81/1071426081.db2.gz SUTUHOUXBKBEFP-UHFFFAOYSA-N 1 1 409.454 -0.056 20 0 HBADMO C[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000464147751 1071443598 /nfs/dbraw/zinc/44/35/98/1071443598.db2.gz DSKVUORCKYSXPO-CQSZACIVSA-N 1 1 412.512 -0.210 20 0 HBADMO C[C@@H](O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000464147751 1071443594 /nfs/dbraw/zinc/44/35/94/1071443594.db2.gz DSKVUORCKYSXPO-CQSZACIVSA-N 1 1 412.512 -0.210 20 0 HBADMO C[C@H](O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000464161158 1071444305 /nfs/dbraw/zinc/44/43/05/1071444305.db2.gz DSKVUORCKYSXPO-AWEZNQCLSA-N 1 1 412.512 -0.210 20 0 HBADMO C[C@H](O)CN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000464161158 1071444300 /nfs/dbraw/zinc/44/43/00/1071444300.db2.gz DSKVUORCKYSXPO-AWEZNQCLSA-N 1 1 412.512 -0.210 20 0 HBADMO NC(=O)COc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000464161851 1071444276 /nfs/dbraw/zinc/44/42/76/1071444276.db2.gz JCHDTNDJVKQDNK-GOSISDBHSA-N 1 1 418.494 -0.120 20 0 HBADMO NC(=O)COc1cccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000464161852 1071444232 /nfs/dbraw/zinc/44/42/32/1071444232.db2.gz JCHDTNDJVKQDNK-SFHVURJKSA-N 1 1 418.494 -0.120 20 0 HBADMO CC[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H](C)S1(=O)=O ZINC000464215187 1071446308 /nfs/dbraw/zinc/44/63/08/1071446308.db2.gz AGGQCFRUMYXOOQ-DLBZAZTESA-N 1 1 404.577 -0.016 20 0 HBADMO CC[C@@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H](C)S1(=O)=O ZINC000464215188 1071447192 /nfs/dbraw/zinc/44/71/92/1071447192.db2.gz AGGQCFRUMYXOOQ-IAGOWNOFSA-N 1 1 404.577 -0.016 20 0 HBADMO CC[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@H](C)S1(=O)=O ZINC000464215189 1071447146 /nfs/dbraw/zinc/44/71/46/1071447146.db2.gz AGGQCFRUMYXOOQ-IRXDYDNUSA-N 1 1 404.577 -0.016 20 0 HBADMO CC[C@H]1CN(C(=O)NCCCCN2CC[NH+](CCO)CC2)C[C@@H](C)S1(=O)=O ZINC000464215190 1071447117 /nfs/dbraw/zinc/44/71/17/1071447117.db2.gz AGGQCFRUMYXOOQ-SJORKVTESA-N 1 1 404.577 -0.016 20 0 HBADMO NS(=O)(=O)c1ccc(OCC[NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 ZINC000464499543 1071462276 /nfs/dbraw/zinc/46/22/76/1071462276.db2.gz UTWUYZXPLRUBKK-UHFFFAOYSA-N 1 1 417.553 -0.092 20 0 HBADMO CN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)C1=O ZINC000464516585 1071463839 /nfs/dbraw/zinc/46/38/39/1071463839.db2.gz DUTGMMUXZONBEE-UHFFFAOYSA-N 1 1 403.439 -0.328 20 0 HBADMO CN1CC[NH+](CCOc2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)CC1 ZINC000464517594 1071463808 /nfs/dbraw/zinc/46/38/08/1071463808.db2.gz FBDQLZPULFBOEC-UHFFFAOYSA-N 1 1 410.540 -0.018 20 0 HBADMO CCN1CCN(CC(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)C(=O)C1=O ZINC000464521053 1071464635 /nfs/dbraw/zinc/46/46/35/1071464635.db2.gz IRHFABZQGLKNOQ-UHFFFAOYSA-N 1 1 417.510 -0.058 20 0 HBADMO CN1CC[NH+](CCOc2ccc(NC(=O)Cn3ccc(=O)n(C)c3=O)cc2)CC1 ZINC000464554551 1071467513 /nfs/dbraw/zinc/46/75/13/1071467513.db2.gz SZWOXXIGYOMYNJ-UHFFFAOYSA-N 1 1 401.467 -0.188 20 0 HBADMO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CCOC1 ZINC000464598841 1071472254 /nfs/dbraw/zinc/47/22/54/1071472254.db2.gz OEUQTPBHQZJSPV-INIZCTEOSA-N 1 1 401.441 -0.407 20 0 HBADMO COC(=O)C[C@]1([NH2+]CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CCOC1 ZINC000464598843 1071472358 /nfs/dbraw/zinc/47/23/58/1071472358.db2.gz OEUQTPBHQZJSPV-MRXNPFEDSA-N 1 1 401.441 -0.407 20 0 HBADMO COC(=O)C[C@]1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CCOC1 ZINC000464607246 1071474805 /nfs/dbraw/zinc/47/48/05/1071474805.db2.gz KIZBHXJLWNNRBH-KPZWWZAWSA-N 1 1 411.480 -0.077 20 0 HBADMO COC(=O)C[C@]1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CCOC1 ZINC000464607248 1071474794 /nfs/dbraw/zinc/47/47/94/1071474794.db2.gz KIZBHXJLWNNRBH-KZULUSFZSA-N 1 1 411.480 -0.077 20 0 HBADMO COC(=O)C[C@@]1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CCOC1 ZINC000464607249 1071474643 /nfs/dbraw/zinc/47/46/43/1071474643.db2.gz KIZBHXJLWNNRBH-SGTLLEGYSA-N 1 1 411.480 -0.077 20 0 HBADMO COC(=O)C[C@@]1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CCOC1 ZINC000464607250 1071474684 /nfs/dbraw/zinc/47/46/84/1071474684.db2.gz KIZBHXJLWNNRBH-XIKOKIGWSA-N 1 1 411.480 -0.077 20 0 HBADMO COC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000464728871 1071482748 /nfs/dbraw/zinc/48/27/48/1071482748.db2.gz HDTNCUUUEVTUOJ-AWEZNQCLSA-N 1 1 401.471 -0.103 20 0 HBADMO COCCOC[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000464735743 1071481094 /nfs/dbraw/zinc/48/10/94/1071481094.db2.gz MTCGNWHHOADYAR-INIZCTEOSA-N 1 1 417.514 -0.003 20 0 HBADMO COCCOC[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000464735744 1071481042 /nfs/dbraw/zinc/48/10/42/1071481042.db2.gz MTCGNWHHOADYAR-MRXNPFEDSA-N 1 1 417.514 -0.003 20 0 HBADMO Cc1nsc(N2CCC[N@H+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000464763976 1071485688 /nfs/dbraw/zinc/48/56/88/1071485688.db2.gz DVYSWVXXUPDYSZ-UHFFFAOYSA-N 1 1 404.500 -0.194 20 0 HBADMO CC[C@@H](CO)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000464765496 1071485823 /nfs/dbraw/zinc/48/58/23/1071485823.db2.gz MWASAUITPGPUEU-KRWDZBQOSA-N 1 1 412.556 -0.229 20 0 HBADMO 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1071673466 /nfs/dbraw/zinc/67/34/66/1071673466.db2.gz HAQYNFFRFCRQMU-SFHVURJKSA-N 1 1 414.528 -0.181 20 0 HBADMO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)s1 ZINC000465509370 1071719352 /nfs/dbraw/zinc/71/93/52/1071719352.db2.gz VLFCAFSLNXLXEM-HNNXBMFYSA-N 1 1 406.530 -0.461 20 0 HBADMO CNS(=O)(=O)c1ccc(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)s1 ZINC000465509371 1071719217 /nfs/dbraw/zinc/71/92/17/1071719217.db2.gz VLFCAFSLNXLXEM-OAHLLOKOSA-N 1 1 406.530 -0.461 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000465537745 1071772909 /nfs/dbraw/zinc/77/29/09/1071772909.db2.gz DPGAVLGCPDCCKG-UHFFFAOYSA-N 1 1 419.530 -0.398 20 0 HBADMO C[C@@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)CN1CC[NH+](C)CC1 ZINC000465551406 1071971947 /nfs/dbraw/zinc/97/19/47/1071971947.db2.gz WMJJWCDSTPUJLO-INIZCTEOSA-N 1 1 403.531 -0.104 20 0 HBADMO C[C@H](CNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)CN1CC[NH+](C)CC1 ZINC000465551408 1071971978 /nfs/dbraw/zinc/97/19/78/1071971978.db2.gz WMJJWCDSTPUJLO-MRXNPFEDSA-N 1 1 403.531 -0.104 20 0 HBADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465557322 1072057920 /nfs/dbraw/zinc/05/79/20/1072057920.db2.gz XZOTUYZUSWMKOL-KRWDZBQOSA-N 1 1 406.549 -0.427 20 0 HBADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465557345 1072057791 /nfs/dbraw/zinc/05/77/91/1072057791.db2.gz XZOTUYZUSWMKOL-QGZVFWFLSA-N 1 1 406.549 -0.427 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000465560040 1072076473 /nfs/dbraw/zinc/07/64/73/1072076473.db2.gz BSYUDXKILOLGIQ-GOSISDBHSA-N 1 1 414.528 -0.344 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000465560041 1072076590 /nfs/dbraw/zinc/07/65/90/1072076590.db2.gz BSYUDXKILOLGIQ-SFHVURJKSA-N 1 1 414.528 -0.344 20 0 HBADMO C[C@](O)(CNC(=O)NCCNS(=O)(=O)c1ccccc1)C[NH+]1CCOCC1 ZINC000465560833 1072079199 /nfs/dbraw/zinc/07/91/99/1072079199.db2.gz AJZMDJVESMWQOK-KRWDZBQOSA-N 1 1 400.501 -0.653 20 0 HBADMO C[C@@](O)(CNC(=O)NCCNS(=O)(=O)c1ccccc1)C[NH+]1CCOCC1 ZINC000465560834 1072079234 /nfs/dbraw/zinc/07/92/34/1072079234.db2.gz AJZMDJVESMWQOK-QGZVFWFLSA-N 1 1 400.501 -0.653 20 0 HBADMO Cn1nc2c(cc1=O)CN(C(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000465566909 1072165530 /nfs/dbraw/zinc/16/55/30/1072165530.db2.gz HTGNOFGCIWDTFP-UHFFFAOYSA-N 1 1 412.498 -0.150 20 0 HBADMO CC(C)[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)N1CC[NH+](C)CC1 ZINC000465567909 1072166117 /nfs/dbraw/zinc/16/61/17/1072166117.db2.gz JFPMQJPQQKVUOP-KRWDZBQOSA-N 1 1 405.547 -0.116 20 0 HBADMO CC(C)[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)N1CC[NH+](C)CC1 ZINC000465567921 1072166226 /nfs/dbraw/zinc/16/62/26/1072166226.db2.gz JFPMQJPQQKVUOP-QGZVFWFLSA-N 1 1 405.547 -0.116 20 0 HBADMO C[C@](O)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)CN1CCOCC1 ZINC000465570983 1072169541 /nfs/dbraw/zinc/16/95/41/1072169541.db2.gz MEDXLOCBMUPKEZ-FQEVSTJZSA-N 1 1 421.546 -0.629 20 0 HBADMO C[C@@](O)(CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)CN1CCOCC1 ZINC000465570986 1072169692 /nfs/dbraw/zinc/16/96/92/1072169692.db2.gz MEDXLOCBMUPKEZ-HXUWFJFHSA-N 1 1 421.546 -0.629 20 0 HBADMO COCCNC(=O)CN1CCN(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000465571696 1072171039 /nfs/dbraw/zinc/17/10/39/1072171039.db2.gz HSPIDUQUMJJTMF-GOSISDBHSA-N 1 1 412.579 -0.652 20 0 HBADMO COCCNC(=O)CN1CCN(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000465571704 1072170852 /nfs/dbraw/zinc/17/08/52/1072170852.db2.gz HSPIDUQUMJJTMF-SFHVURJKSA-N 1 1 412.579 -0.652 20 0 HBADMO C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465573561 1072178153 /nfs/dbraw/zinc/17/81/53/1072178153.db2.gz OKHZFKIAZQAYCQ-CXAGYDPISA-N 1 1 400.501 -0.223 20 0 HBADMO C[C@@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465573562 1072178245 /nfs/dbraw/zinc/17/82/45/1072178245.db2.gz OKHZFKIAZQAYCQ-DYVFJYSZSA-N 1 1 400.501 -0.223 20 0 HBADMO C[C@H](NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000465573563 1072178355 /nfs/dbraw/zinc/17/83/55/1072178355.db2.gz 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CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466777041 1071867017 /nfs/dbraw/zinc/86/70/17/1071867017.db2.gz KFEMMNFIAJMIIL-OAHLLOKOSA-N 1 1 407.519 -0.364 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC000466781368 1071869901 /nfs/dbraw/zinc/86/99/01/1071869901.db2.gz ZSVSSINGIYZUOY-INIZCTEOSA-N 1 1 419.530 -0.077 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@@H+](CC3CCCC3)C1)C2 ZINC000466781369 1071869751 /nfs/dbraw/zinc/86/97/51/1071869751.db2.gz ZSVSSINGIYZUOY-MRXNPFEDSA-N 1 1 419.530 -0.077 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC1C[C@H]3CCC[C@@H](C1)[N@@H+]3C)C2 ZINC000466782353 1071871015 /nfs/dbraw/zinc/87/10/15/1071871015.db2.gz KOTBKIQNNHUJDN-GOOCMWNKSA-N 1 1 405.503 -0.327 20 0 HBADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807982 1071916890 /nfs/dbraw/zinc/91/68/90/1071916890.db2.gz VZUJUILQFBFXKT-CABCVRRESA-N 1 1 407.519 -0.221 20 0 HBADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807983 1071916811 /nfs/dbraw/zinc/91/68/11/1071916811.db2.gz VZUJUILQFBFXKT-GJZGRUSLSA-N 1 1 407.519 -0.221 20 0 HBADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807984 1071916757 /nfs/dbraw/zinc/91/67/57/1071916757.db2.gz VZUJUILQFBFXKT-HUUCEWRRSA-N 1 1 407.519 -0.221 20 0 HBADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000466807985 1071916907 /nfs/dbraw/zinc/91/69/07/1071916907.db2.gz VZUJUILQFBFXKT-LSDHHAIUSA-N 1 1 407.519 -0.221 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2c(C(=O)OCC)cnn2C)CC1 ZINC000466822868 1071920117 /nfs/dbraw/zinc/92/01/17/1071920117.db2.gz NRGBBSZFJZRVSR-UHFFFAOYSA-N 1 1 422.486 -0.358 20 0 HBADMO COC(=O)c1cc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cn1C ZINC000466888066 1069084171 /nfs/dbraw/zinc/08/41/71/1069084171.db2.gz RJCQMTHTJZYSKJ-UHFFFAOYSA-N 1 1 412.512 -0.014 20 0 HBADMO CN(CCCNC(=O)CN1CCC(OCC[NH+]2CCCC2)CC1)S(C)(=O)=O ZINC000466924327 1068992133 /nfs/dbraw/zinc/99/21/33/1068992133.db2.gz QGJARUPOVXSGLB-UHFFFAOYSA-N 1 1 404.577 -0.039 20 0 HBADMO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000466925018 1069016193 /nfs/dbraw/zinc/01/61/93/1069016193.db2.gz MKESBNKXOWCQOQ-HNNXBMFYSA-N 1 1 409.512 -0.477 20 0 HBADMO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000466925018 1069016176 /nfs/dbraw/zinc/01/61/76/1069016176.db2.gz MKESBNKXOWCQOQ-HNNXBMFYSA-N 1 1 409.512 -0.477 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000466925019 1069016480 /nfs/dbraw/zinc/01/64/80/1069016480.db2.gz MKESBNKXOWCQOQ-OAHLLOKOSA-N 1 1 409.512 -0.477 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000466925019 1069016460 /nfs/dbraw/zinc/01/64/60/1069016460.db2.gz MKESBNKXOWCQOQ-OAHLLOKOSA-N 1 1 409.512 -0.477 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H](c1ccco1)[NH+](C)C)C2 ZINC000466925547 1071967937 /nfs/dbraw/zinc/96/79/37/1071967937.db2.gz NZZZQHLUFMIHJF-CYBMUJFWSA-N 1 1 405.459 -0.446 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H](c1ccco1)[NH+](C)C)C2 ZINC000466925548 1071968079 /nfs/dbraw/zinc/96/80/79/1071968079.db2.gz NZZZQHLUFMIHJF-ZDUSSCGKSA-N 1 1 405.459 -0.446 20 0 HBADMO CN(C)C(=O)CN1CCN(C(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000466928102 1071967976 /nfs/dbraw/zinc/96/79/76/1071967976.db2.gz YXNAECDFXDZLNE-UHFFFAOYSA-N 1 1 409.575 -0.204 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000466929093 1069092967 /nfs/dbraw/zinc/09/29/67/1069092967.db2.gz NISWOLDZKGSBKR-CYBMUJFWSA-N 1 1 401.475 -0.985 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000466929093 1069092956 /nfs/dbraw/zinc/09/29/56/1069092956.db2.gz NISWOLDZKGSBKR-CYBMUJFWSA-N 1 1 401.475 -0.985 20 0 HBADMO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000466929094 1069093519 /nfs/dbraw/zinc/09/35/19/1069093519.db2.gz NISWOLDZKGSBKR-ZDUSSCGKSA-N 1 1 401.475 -0.985 20 0 HBADMO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000466929094 1069093506 /nfs/dbraw/zinc/09/35/06/1069093506.db2.gz NISWOLDZKGSBKR-ZDUSSCGKSA-N 1 1 401.475 -0.985 20 0 HBADMO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000466932498 1069187703 /nfs/dbraw/zinc/18/77/03/1069187703.db2.gz BHLWAJLECNGDBR-KRWDZBQOSA-N 1 1 420.489 -0.088 20 0 HBADMO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000466932498 1069187697 /nfs/dbraw/zinc/18/76/97/1069187697.db2.gz BHLWAJLECNGDBR-KRWDZBQOSA-N 1 1 420.489 -0.088 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000466932599 1071968686 /nfs/dbraw/zinc/96/86/86/1071968686.db2.gz BHLWAJLECNGDBR-QGZVFWFLSA-N 1 1 420.489 -0.088 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000466932599 1071968681 /nfs/dbraw/zinc/96/86/81/1071968681.db2.gz BHLWAJLECNGDBR-QGZVFWFLSA-N 1 1 420.489 -0.088 20 0 HBADMO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000466942712 1071969291 /nfs/dbraw/zinc/96/92/91/1071969291.db2.gz DELFWRLBWBZFLU-KRWDZBQOSA-N 1 1 423.539 -0.336 20 0 HBADMO CNC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000466942712 1071969287 /nfs/dbraw/zinc/96/92/87/1071969287.db2.gz DELFWRLBWBZFLU-KRWDZBQOSA-N 1 1 423.539 -0.336 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000466942713 1071969120 /nfs/dbraw/zinc/96/91/20/1071969120.db2.gz DELFWRLBWBZFLU-QGZVFWFLSA-N 1 1 423.539 -0.336 20 0 HBADMO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000466942713 1071969111 /nfs/dbraw/zinc/96/91/11/1071969111.db2.gz DELFWRLBWBZFLU-QGZVFWFLSA-N 1 1 423.539 -0.336 20 0 HBADMO CC(C)[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCOCC1 ZINC000466974487 1071969755 /nfs/dbraw/zinc/96/97/55/1071969755.db2.gz UBGARXZEJVXADL-HNNXBMFYSA-N 1 1 423.518 -0.985 20 0 HBADMO CC(C)[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCOCC1 ZINC000466974488 1071969861 /nfs/dbraw/zinc/96/98/61/1071969861.db2.gz UBGARXZEJVXADL-OAHLLOKOSA-N 1 1 423.518 -0.985 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCC[N@@H+](C)Cc1ccccc1)C2 ZINC000466974602 1071969832 /nfs/dbraw/zinc/96/98/32/1071969832.db2.gz LNANXRIXXRDIPA-UHFFFAOYSA-N 1 1 415.498 -0.210 20 0 HBADMO Cc1ccc(NCCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)[nH+]c1 ZINC000466977769 1069626864 /nfs/dbraw/zinc/62/68/64/1069626864.db2.gz AQRJLSFPQPNBRI-UHFFFAOYSA-N 1 1 416.486 -0.136 20 0 HBADMO C[C@@H]1C[N@H+](CCCNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C[C@H](C)O1 ZINC000466981820 1071970249 /nfs/dbraw/zinc/97/02/49/1071970249.db2.gz WUNWTJZKHRONAD-GASCZTMLSA-N 1 1 423.518 -0.843 20 0 HBADMO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCCC[C@H]1C ZINC000466982284 1071970445 /nfs/dbraw/zinc/97/04/45/1071970445.db2.gz DYAWXCHGVACLCV-CABCVRRESA-N 1 1 407.519 -0.079 20 0 HBADMO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCCC[C@@H]1C ZINC000466982285 1071970326 /nfs/dbraw/zinc/97/03/26/1071970326.db2.gz DYAWXCHGVACLCV-GJZGRUSLSA-N 1 1 407.519 -0.079 20 0 HBADMO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCCC[C@H]1C ZINC000466982286 1071970269 /nfs/dbraw/zinc/97/02/69/1071970269.db2.gz DYAWXCHGVACLCV-HUUCEWRRSA-N 1 1 407.519 -0.079 20 0 HBADMO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCCC[C@@H]1C ZINC000466982287 1071970410 /nfs/dbraw/zinc/97/04/10/1071970410.db2.gz DYAWXCHGVACLCV-LSDHHAIUSA-N 1 1 407.519 -0.079 20 0 HBADMO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000466983627 1071970432 /nfs/dbraw/zinc/97/04/32/1071970432.db2.gz HWCKAVLCMVWDEL-CABCVRRESA-N 1 1 407.519 -0.221 20 0 HBADMO C[C@@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC000466983628 1071970300 /nfs/dbraw/zinc/97/03/00/1071970300.db2.gz HWCKAVLCMVWDEL-GJZGRUSLSA-N 1 1 407.519 -0.221 20 0 HBADMO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000466983629 1071970380 /nfs/dbraw/zinc/97/03/80/1071970380.db2.gz HWCKAVLCMVWDEL-HUUCEWRRSA-N 1 1 407.519 -0.221 20 0 HBADMO C[C@H](CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC000466983630 1071970370 /nfs/dbraw/zinc/97/03/70/1071970370.db2.gz HWCKAVLCMVWDEL-LSDHHAIUSA-N 1 1 407.519 -0.221 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466985619 1071970860 /nfs/dbraw/zinc/97/08/60/1071970860.db2.gz XIOOTASRLBQFHK-HNNXBMFYSA-N 1 1 423.518 -0.985 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000466985620 1069617219 /nfs/dbraw/zinc/61/72/19/1069617219.db2.gz XIOOTASRLBQFHK-OAHLLOKOSA-N 1 1 423.518 -0.985 20 0 HBADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467007513 1071972083 /nfs/dbraw/zinc/97/20/83/1071972083.db2.gz QLOUIIZEVMNNMH-GASCZTMLSA-N 1 1 407.519 -0.079 20 0 HBADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467011616 1071971973 /nfs/dbraw/zinc/97/19/73/1071971973.db2.gz AGRAJAWTSCPKNA-HNNXBMFYSA-N 1 1 407.519 -0.077 20 0 HBADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467011617 1071972049 /nfs/dbraw/zinc/97/20/49/1071972049.db2.gz AGRAJAWTSCPKNA-OAHLLOKOSA-N 1 1 407.519 -0.077 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000467014380 1071972746 /nfs/dbraw/zinc/97/27/46/1071972746.db2.gz RZTVVNGXQJLOPM-AWEZNQCLSA-N 1 1 405.503 -0.325 20 0 HBADMO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CC[N@H+](C3CCCC3)C1)C2 ZINC000467014381 1071972591 /nfs/dbraw/zinc/97/25/91/1071972591.db2.gz RZTVVNGXQJLOPM-CQSZACIVSA-N 1 1 405.503 -0.325 20 0 HBADMO CC(C)[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467050124 1071974868 /nfs/dbraw/zinc/97/48/68/1071974868.db2.gz XBXANAGISQOMCQ-DAYGRLMNSA-N 1 1 422.530 -0.391 20 0 HBADMO CC(C)[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467050124 1071974860 /nfs/dbraw/zinc/97/48/60/1071974860.db2.gz XBXANAGISQOMCQ-DAYGRLMNSA-N 1 1 422.530 -0.391 20 0 HBADMO CC(C)[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000467050125 1071975008 /nfs/dbraw/zinc/97/50/08/1071975008.db2.gz XBXANAGISQOMCQ-IIDMSEBBSA-N 1 1 422.530 -0.391 20 0 HBADMO CC(C)[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000467050126 1071975044 /nfs/dbraw/zinc/97/50/44/1071975044.db2.gz XBXANAGISQOMCQ-RKVPGOIHSA-N 1 1 422.530 -0.391 20 0 HBADMO CC(C)[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467050127 1071974941 /nfs/dbraw/zinc/97/49/41/1071974941.db2.gz XBXANAGISQOMCQ-RVKKMQEKSA-N 1 1 422.530 -0.391 20 0 HBADMO 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HBADMO CCC(CC)[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCOCC1 ZINC000467080853 1071981137 /nfs/dbraw/zinc/98/11/37/1071981137.db2.gz XIEDWAMAQADJKS-GOSISDBHSA-N 1 1 422.530 -0.388 20 0 HBADMO CCC(CC)[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCOCC1 ZINC000467080857 1071981164 /nfs/dbraw/zinc/98/11/64/1071981164.db2.gz XIEDWAMAQADJKS-SFHVURJKSA-N 1 1 422.530 -0.388 20 0 HBADMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467109490 1071982919 /nfs/dbraw/zinc/98/29/19/1071982919.db2.gz ITNALCPHWKLIMM-CYBMUJFWSA-N 1 1 404.475 -0.501 20 0 HBADMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467109494 1071982857 /nfs/dbraw/zinc/98/28/57/1071982857.db2.gz ITNALCPHWKLIMM-ZDUSSCGKSA-N 1 1 404.475 -0.501 20 0 HBADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000467110606 1068698937 /nfs/dbraw/zinc/69/89/37/1068698937.db2.gz OPAQMPWEIHSOEO-HNNXBMFYSA-N 1 1 407.519 -0.221 20 0 HBADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)C1 ZINC000467110607 1068699238 /nfs/dbraw/zinc/69/92/38/1068699238.db2.gz OPAQMPWEIHSOEO-OAHLLOKOSA-N 1 1 407.519 -0.221 20 0 HBADMO CCOCCS(=O)(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000467113333 1071983563 /nfs/dbraw/zinc/98/35/63/1071983563.db2.gz UGPQNVNSDFLVQA-UHFFFAOYSA-N 1 1 406.549 -0.655 20 0 HBADMO CCOCCS(=O)(=O)NCC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000467113333 1071983555 /nfs/dbraw/zinc/98/35/55/1071983555.db2.gz UGPQNVNSDFLVQA-UHFFFAOYSA-N 1 1 406.549 -0.655 20 0 HBADMO CCOCCS(=O)(=O)NCC(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000467113524 1071983631 /nfs/dbraw/zinc/98/36/31/1071983631.db2.gz WHGDABCBPCCABO-UHFFFAOYSA-N 1 1 404.533 -0.901 20 0 HBADMO CCOCCS(=O)(=O)NCC(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000467113524 1071983620 /nfs/dbraw/zinc/98/36/20/1071983620.db2.gz WHGDABCBPCCABO-UHFFFAOYSA-N 1 1 404.533 -0.901 20 0 HBADMO CN(C)S(=O)(=O)c1ccc(O)c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000467118588 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OGWPIHYVTSNKDK-UHFFFAOYSA-N 1 1 412.512 -0.031 20 0 HBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000467226339 1071991754 /nfs/dbraw/zinc/99/17/54/1071991754.db2.gz BTAGHRWWABCQBP-AWEZNQCLSA-N 1 1 420.470 -0.700 20 0 HBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000467226340 1071991590 /nfs/dbraw/zinc/99/15/90/1071991590.db2.gz BTAGHRWWABCQBP-CQSZACIVSA-N 1 1 420.470 -0.700 20 0 HBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000467227541 1071991638 /nfs/dbraw/zinc/99/16/38/1071991638.db2.gz FQRQZYJJKFDZDU-AWEZNQCLSA-N 1 1 422.486 -0.406 20 0 HBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000467227542 1071991719 /nfs/dbraw/zinc/99/17/19/1071991719.db2.gz FQRQZYJJKFDZDU-CQSZACIVSA-N 1 1 422.486 -0.406 20 0 HBADMO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000467244220 1071992908 /nfs/dbraw/zinc/99/29/08/1071992908.db2.gz CXWGLYYSRUCOBB-GFCCVEGCSA-N 1 1 408.459 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C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000467312968 1072002594 /nfs/dbraw/zinc/00/25/94/1072002594.db2.gz BEMCYHIAQFXXQN-AWEZNQCLSA-N 1 1 422.507 -0.342 20 0 HBADMO C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000467312969 1072002699 /nfs/dbraw/zinc/00/26/99/1072002699.db2.gz BEMCYHIAQFXXQN-CQSZACIVSA-N 1 1 422.507 -0.342 20 0 HBADMO C[NH+]1CCN([C@@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)c2ccccc2)CC1 ZINC000467313089 1072002740 /nfs/dbraw/zinc/00/27/40/1072002740.db2.gz LTKRUPRBRGKDEI-GOSISDBHSA-N 1 1 409.556 -0.592 20 0 HBADMO C[NH+]1CCN([C@H](C(=O)N2CCN(CCS(N)(=O)=O)CC2)c2ccccc2)CC1 ZINC000467313090 1072002782 /nfs/dbraw/zinc/00/27/82/1072002782.db2.gz LTKRUPRBRGKDEI-SFHVURJKSA-N 1 1 409.556 -0.592 20 0 HBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cc1 ZINC000467367418 1072005816 /nfs/dbraw/zinc/00/58/16/1072005816.db2.gz RSIKJFULTCTHQD-UHFFFAOYSA-N 1 1 405.455 -0.510 20 0 HBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc1 ZINC000467394593 1072006175 /nfs/dbraw/zinc/00/61/75/1072006175.db2.gz QBBWXUVOTXLGQI-UHFFFAOYSA-N 1 1 403.361 -0.080 20 0 HBADMO CC(=O)N1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000467394881 1072006895 /nfs/dbraw/zinc/00/68/95/1072006895.db2.gz QYWBVIWVZPOLTK-UHFFFAOYSA-N 1 1 418.498 -0.595 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000467406122 1072006825 /nfs/dbraw/zinc/00/68/25/1072006825.db2.gz IMTDXFWZNXYTPN-INIZCTEOSA-N 1 1 422.507 -0.068 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000467406122 1072006814 /nfs/dbraw/zinc/00/68/14/1072006814.db2.gz IMTDXFWZNXYTPN-INIZCTEOSA-N 1 1 422.507 -0.068 20 0 HBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000467406123 1072006748 /nfs/dbraw/zinc/00/67/48/1072006748.db2.gz IMTDXFWZNXYTPN-MRXNPFEDSA-N 1 1 422.507 -0.068 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000467406123 1072006733 /nfs/dbraw/zinc/00/67/33/1072006733.db2.gz IMTDXFWZNXYTPN-MRXNPFEDSA-N 1 1 422.507 -0.068 20 0 HBADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000467413933 1072007274 /nfs/dbraw/zinc/00/72/74/1072007274.db2.gz PBDOJFWWARKCEQ-UHFFFAOYSA-N 1 1 422.507 -0.244 20 0 HBADMO COc1cc2c(cc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)NC(=O)CC2 ZINC000467484510 1072008572 /nfs/dbraw/zinc/00/85/72/1072008572.db2.gz KNQGTIDTJPZAEL-UHFFFAOYSA-N 1 1 417.466 -0.201 20 0 HBADMO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000467488623 1072009116 /nfs/dbraw/zinc/00/91/16/1072009116.db2.gz TZXMSAWWPBTLDL-GOSISDBHSA-N 1 1 415.512 -0.576 20 0 HBADMO COCCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000467488624 1072009062 /nfs/dbraw/zinc/00/90/62/1072009062.db2.gz TZXMSAWWPBTLDL-SFHVURJKSA-N 1 1 415.512 -0.576 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000467495851 1072009914 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Cc1cc(NC(=O)[C@H](C)SCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)no1 ZINC000467506446 1072010809 /nfs/dbraw/zinc/01/08/09/1072010809.db2.gz ZLJLXQHMQKUKFK-SUMWQHHRSA-N 1 1 400.501 0.243 20 0 HBADMO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000467507847 1072010835 /nfs/dbraw/zinc/01/08/35/1072010835.db2.gz JRKANDFNRILKNB-GOSISDBHSA-N 1 1 415.512 -0.576 20 0 HBADMO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000467507848 1072010971 /nfs/dbraw/zinc/01/09/71/1072010971.db2.gz JRKANDFNRILKNB-SFHVURJKSA-N 1 1 415.512 -0.576 20 0 HBADMO COCCS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000467511029 1072011625 /nfs/dbraw/zinc/01/16/25/1072011625.db2.gz NRCWXIYSMAVUJD-GOSISDBHSA-N 1 1 400.497 -0.080 20 0 HBADMO COCCS(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000467511030 1072011561 /nfs/dbraw/zinc/01/15/61/1072011561.db2.gz NRCWXIYSMAVUJD-SFHVURJKSA-N 1 1 400.497 -0.080 20 0 HBADMO C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000467512266 1072011364 /nfs/dbraw/zinc/01/13/64/1072011364.db2.gz SCRYKSUADWQIRU-INIZCTEOSA-N 1 1 418.585 -0.232 20 0 HBADMO C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000467512267 1072011676 /nfs/dbraw/zinc/01/16/76/1072011676.db2.gz SCRYKSUADWQIRU-MRXNPFEDSA-N 1 1 418.585 -0.232 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000467513541 1071497222 /nfs/dbraw/zinc/49/72/22/1071497222.db2.gz YNVRGNOJENOWJC-HNNXBMFYSA-N 1 1 405.542 -0.005 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000467513542 1071497274 /nfs/dbraw/zinc/49/72/74/1071497274.db2.gz YNVRGNOJENOWJC-OAHLLOKOSA-N 1 1 405.542 -0.005 20 0 HBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000467547371 1072013266 /nfs/dbraw/zinc/01/32/66/1072013266.db2.gz SJBFRJOUFVNHMF-INIZCTEOSA-N 1 1 418.560 -0.466 20 0 HBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000467547372 1072013354 /nfs/dbraw/zinc/01/33/54/1072013354.db2.gz 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C[C@H](C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000467639693 1072020045 /nfs/dbraw/zinc/02/00/45/1072020045.db2.gz WQKSDBCHEHOOGD-KGLIPLIRSA-N 1 1 414.528 -0.183 20 0 HBADMO C[C@@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000467639695 1072019843 /nfs/dbraw/zinc/01/98/43/1072019843.db2.gz WQKSDBCHEHOOGD-UONOGXRCSA-N 1 1 414.528 -0.183 20 0 HBADMO C[C@H](C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000467639697 1072020088 /nfs/dbraw/zinc/02/00/88/1072020088.db2.gz WQKSDBCHEHOOGD-ZIAGYGMSSA-N 1 1 414.528 -0.183 20 0 HBADMO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000467641206 1072020579 /nfs/dbraw/zinc/02/05/79/1072020579.db2.gz QDUDUWYXMAZXBI-UHFFFAOYSA-N 1 1 418.498 -0.595 20 0 HBADMO CN(CC(=O)N(CCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1)c1ncnc2[nH]cnc21 ZINC000467641288 1072020685 /nfs/dbraw/zinc/02/06/85/1072020685.db2.gz QNGIBWRWSJJEQP-CYBMUJFWSA-N 1 1 409.516 -0.244 20 0 HBADMO CN(CC(=O)N(CCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1)c1ncnc2[nH]cnc21 ZINC000467641296 1072097174 /nfs/dbraw/zinc/09/71/74/1072097174.db2.gz QNGIBWRWSJJEQP-ZDUSSCGKSA-N 1 1 409.516 -0.244 20 0 HBADMO C[NH+](C)CCN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC000467641348 1072129546 /nfs/dbraw/zinc/12/95/46/1072129546.db2.gz SFIJUFVJIANJQV-AWEZNQCLSA-N 1 1 418.541 -0.673 20 0 HBADMO C[NH+](C)CCN(C(=O)CCNS(=O)(=O)c1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC000467641350 1072020506 /nfs/dbraw/zinc/02/05/06/1072020506.db2.gz SFIJUFVJIANJQV-CQSZACIVSA-N 1 1 418.541 -0.673 20 0 HBADMO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000467642835 1072168987 /nfs/dbraw/zinc/16/89/87/1072168987.db2.gz BBQJUDHVJVREQJ-LLVKDONJSA-N 1 1 409.555 -0.153 20 0 HBADMO CNS(=O)(=O)c1csc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000467642836 1072169507 /nfs/dbraw/zinc/16/95/07/1072169507.db2.gz BBQJUDHVJVREQJ-NSHDSACASA-N 1 1 409.555 -0.153 20 0 HBADMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000467647370 1072020435 /nfs/dbraw/zinc/02/04/35/1072020435.db2.gz UJERGSNURQZUKR-CYBMUJFWSA-N 1 1 420.557 -0.108 20 0 HBADMO CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1 ZINC000467647371 1069148074 /nfs/dbraw/zinc/14/80/74/1069148074.db2.gz UJERGSNURQZUKR-ZDUSSCGKSA-N 1 1 420.557 -0.108 20 0 HBADMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCNC(=O)c2cnccn2)cc1 ZINC000467647815 1072020710 /nfs/dbraw/zinc/02/07/10/1072020710.db2.gz YADIYFRMEJSZRC-UHFFFAOYSA-N 1 1 413.438 -0.539 20 0 HBADMO CN1CCN(C(=O)CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000467648106 1072021280 /nfs/dbraw/zinc/02/12/80/1072021280.db2.gz UIYGARCFFFVUFP-UHFFFAOYSA-N 1 1 418.498 -0.595 20 0 HBADMO CNS(=O)(=O)c1cc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c(C)o1 ZINC000467649708 1072021070 /nfs/dbraw/zinc/02/10/70/1072021070.db2.gz HQADOKMGMSKJEQ-GFCCVEGCSA-N 1 1 407.514 -0.313 20 0 HBADMO 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ZINC000469189175 1072112963 /nfs/dbraw/zinc/11/29/63/1072112963.db2.gz OMQPEWJPLQSHJH-OAHLLOKOSA-N 1 1 424.523 -0.132 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000469200385 1072113353 /nfs/dbraw/zinc/11/33/53/1072113353.db2.gz LSRMTAMNKCSBBX-UHFFFAOYSA-N 1 1 402.499 -0.262 20 0 HBADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000469243462 1072115048 /nfs/dbraw/zinc/11/50/48/1072115048.db2.gz BFHNCSXXAFYTBD-UHFFFAOYSA-N 1 1 400.483 0.374 20 0 HBADMO C[NH+](C)CCN1C[C@H](C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000469246963 1072115129 /nfs/dbraw/zinc/11/51/29/1072115129.db2.gz UGQJLCHDRKYRRD-GOSISDBHSA-N 1 1 417.558 -0.095 20 0 HBADMO C[NH+](C)CCN1C[C@@H](C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1=O ZINC000469246971 1072115198 /nfs/dbraw/zinc/11/51/98/1072115198.db2.gz UGQJLCHDRKYRRD-SFHVURJKSA-N 1 1 417.558 -0.095 20 0 HBADMO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000469256094 1072115630 /nfs/dbraw/zinc/11/56/30/1072115630.db2.gz YERGRPQPEOSXKZ-BBRMVZONSA-N 1 1 414.532 -0.441 20 0 HBADMO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000469256416 1072115610 /nfs/dbraw/zinc/11/56/10/1072115610.db2.gz YERGRPQPEOSXKZ-CJNGLKHVSA-N 1 1 414.532 -0.441 20 0 HBADMO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000469256428 1072115573 /nfs/dbraw/zinc/11/55/73/1072115573.db2.gz YERGRPQPEOSXKZ-CZUORRHYSA-N 1 1 414.532 -0.441 20 0 HBADMO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000469256436 1072115545 /nfs/dbraw/zinc/11/55/45/1072115545.db2.gz YERGRPQPEOSXKZ-XJKSGUPXSA-N 1 1 414.532 -0.441 20 0 HBADMO CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000469258113 1072115551 /nfs/dbraw/zinc/11/55/51/1072115551.db2.gz YPXXOMWBQPFQDF-KRWDZBQOSA-N 1 1 423.539 -0.348 20 0 HBADMO CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000469258113 1072115549 /nfs/dbraw/zinc/11/55/49/1072115549.db2.gz YPXXOMWBQPFQDF-KRWDZBQOSA-N 1 1 423.539 -0.348 20 0 HBADMO CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000469258222 1072115564 /nfs/dbraw/zinc/11/55/64/1072115564.db2.gz YPXXOMWBQPFQDF-QGZVFWFLSA-N 1 1 423.539 -0.348 20 0 HBADMO CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000469258222 1072115563 /nfs/dbraw/zinc/11/55/63/1072115563.db2.gz YPXXOMWBQPFQDF-QGZVFWFLSA-N 1 1 423.539 -0.348 20 0 HBADMO C[N@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000469275854 1072116383 /nfs/dbraw/zinc/11/63/83/1072116383.db2.gz RUZODKWABCGPLG-INIZCTEOSA-N 1 1 424.479 -0.819 20 0 HBADMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000469275854 1072116377 /nfs/dbraw/zinc/11/63/77/1072116377.db2.gz RUZODKWABCGPLG-INIZCTEOSA-N 1 1 424.479 -0.819 20 0 HBADMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000469275920 1072116433 /nfs/dbraw/zinc/11/64/33/1072116433.db2.gz RUZODKWABCGPLG-MRXNPFEDSA-N 1 1 424.479 -0.819 20 0 HBADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 ZINC000469275920 1072116429 /nfs/dbraw/zinc/11/64/29/1072116429.db2.gz RUZODKWABCGPLG-MRXNPFEDSA-N 1 1 424.479 -0.819 20 0 HBADMO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000469292739 1072117613 /nfs/dbraw/zinc/11/76/13/1072117613.db2.gz QOTCANLGXIYOTO-UHFFFAOYSA-N 1 1 401.489 -0.109 20 0 HBADMO Nc1nsc(N2CC[NH+](CCC(=O)N3CCN(c4ncccn4)CC3)CC2)n1 ZINC000469304145 1072118021 /nfs/dbraw/zinc/11/80/21/1072118021.db2.gz JTODJRWTBLERDC-UHFFFAOYSA-N 1 1 403.516 -0.229 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000469309300 1072117863 /nfs/dbraw/zinc/11/78/63/1072117863.db2.gz VFJSPRCJTUJOSG-UHFFFAOYSA-N 1 1 415.516 -0.778 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C[NH+]1CCOCC1 ZINC000469313271 1072117894 /nfs/dbraw/zinc/11/78/94/1072117894.db2.gz JTBZQPZUTQOYOJ-INIZCTEOSA-N 1 1 400.483 0.544 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1)C[NH+]1CCOCC1 ZINC000469313308 1072117947 /nfs/dbraw/zinc/11/79/47/1072117947.db2.gz JTBZQPZUTQOYOJ-MRXNPFEDSA-N 1 1 400.483 0.544 20 0 HBADMO C[N@@H+](CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)C1CCCCC1 ZINC000469314335 1072118552 /nfs/dbraw/zinc/11/85/52/1072118552.db2.gz WGAGFGLWFFZKJC-UHFFFAOYSA-N 1 1 420.514 0.061 20 0 HBADMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469314927 1069615390 /nfs/dbraw/zinc/61/53/90/1069615390.db2.gz XBYCNJDLQZFASR-HNNXBMFYSA-N 1 1 406.487 -0.329 20 0 HBADMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469314945 1069615491 /nfs/dbraw/zinc/61/54/91/1069615491.db2.gz XBYCNJDLQZFASR-OAHLLOKOSA-N 1 1 406.487 -0.329 20 0 HBADMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000469339341 1069667921 /nfs/dbraw/zinc/66/79/21/1069667921.db2.gz JWSKHYDDAUHYIZ-IYBDPMFKSA-N 1 1 420.514 0.060 20 0 HBADMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000469339382 1069567216 /nfs/dbraw/zinc/56/72/16/1069567216.db2.gz JZUCHPRWOOZJDG-UHFFFAOYSA-N 1 1 406.487 -0.377 20 0 HBADMO Cc1noc(Cn2cc(C(=O)N3CCC[C@H]3C(=O)N3CC[NH+](C)CC3)ccc2=O)n1 ZINC000469348745 1068927084 /nfs/dbraw/zinc/92/70/84/1068927084.db2.gz YQYAVUWUHHUGGT-INIZCTEOSA-N 1 1 414.466 -0.033 20 0 HBADMO Cc1noc(Cn2cc(C(=O)N3CCC[C@@H]3C(=O)N3CC[NH+](C)CC3)ccc2=O)n1 ZINC000469348751 1068927042 /nfs/dbraw/zinc/92/70/42/1068927042.db2.gz YQYAVUWUHHUGGT-MRXNPFEDSA-N 1 1 414.466 -0.033 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000469355839 1072120398 /nfs/dbraw/zinc/12/03/98/1072120398.db2.gz HXDWSBVJZVVUHX-GOSISDBHSA-N 1 1 410.540 -0.252 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000469355839 1072120395 /nfs/dbraw/zinc/12/03/95/1072120395.db2.gz HXDWSBVJZVVUHX-GOSISDBHSA-N 1 1 410.540 -0.252 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)cc1 ZINC000469355842 1072120452 /nfs/dbraw/zinc/12/04/52/1072120452.db2.gz HXDWSBVJZVVUHX-SFHVURJKSA-N 1 1 410.540 -0.252 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)cc1 ZINC000469355842 1072120448 /nfs/dbraw/zinc/12/04/48/1072120448.db2.gz HXDWSBVJZVVUHX-SFHVURJKSA-N 1 1 410.540 -0.252 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000469360383 1072120362 /nfs/dbraw/zinc/12/03/62/1072120362.db2.gz YLHFCBGKHHLGCE-CYBMUJFWSA-N 1 1 418.541 -0.501 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000469360385 1072120422 /nfs/dbraw/zinc/12/04/22/1072120422.db2.gz YLHFCBGKHHLGCE-ZDUSSCGKSA-N 1 1 418.541 -0.501 20 0 HBADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000469391160 1070135274 /nfs/dbraw/zinc/13/52/74/1070135274.db2.gz NWXBFDXWNMFBPB-UHFFFAOYSA-N 1 1 400.423 -0.090 20 0 HBADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 ZINC000469393292 1072121988 /nfs/dbraw/zinc/12/19/88/1072121988.db2.gz MGENHAQTYKLZOB-KRWDZBQOSA-N 1 1 414.484 -0.658 20 0 HBADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 ZINC000469393293 1072121896 /nfs/dbraw/zinc/12/18/96/1072121896.db2.gz MGENHAQTYKLZOB-QGZVFWFLSA-N 1 1 414.484 -0.658 20 0 HBADMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000469394161 1072121934 /nfs/dbraw/zinc/12/19/34/1072121934.db2.gz WOMGJJIETMYXMW-UHFFFAOYSA-N 1 1 421.541 -0.700 20 0 HBADMO Cc1c([C@@H]2[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469398270 1072122329 /nfs/dbraw/zinc/12/23/29/1072122329.db2.gz UIZOOLGQYHJLOO-BEFAXECRSA-N 1 1 404.515 -0.083 20 0 HBADMO Cc1c([C@H]2[C@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469398271 1072122452 /nfs/dbraw/zinc/12/24/52/1072122452.db2.gz UIZOOLGQYHJLOO-DNVCBOLYSA-N 1 1 404.515 -0.083 20 0 HBADMO Cc1c([C@H]2[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469398272 1072122474 /nfs/dbraw/zinc/12/24/74/1072122474.db2.gz UIZOOLGQYHJLOO-HNAYVOBHSA-N 1 1 404.515 -0.083 20 0 HBADMO Cc1c([C@@H]2[C@@H](C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469398273 1072122390 /nfs/dbraw/zinc/12/23/90/1072122390.db2.gz UIZOOLGQYHJLOO-KXBFYZLASA-N 1 1 404.515 -0.083 20 0 HBADMO CC[N@@H+](CCO)CCNS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000469403931 1072122984 /nfs/dbraw/zinc/12/29/84/1072122984.db2.gz MENDANYDSQMWPE-UHFFFAOYSA-N 1 1 411.521 -0.320 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000469419417 1072123944 /nfs/dbraw/zinc/12/39/44/1072123944.db2.gz DEUSVGFSGQRHBX-CYBMUJFWSA-N 1 1 415.516 -0.743 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000469419418 1072123853 /nfs/dbraw/zinc/12/38/53/1072123853.db2.gz DEUSVGFSGQRHBX-ZDUSSCGKSA-N 1 1 415.516 -0.743 20 0 HBADMO C[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000469448275 1072124915 /nfs/dbraw/zinc/12/49/15/1072124915.db2.gz MXAGNYFOKPUMQB-UHFFFAOYSA-N 1 1 410.544 -0.129 20 0 HBADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000469475614 1072125790 /nfs/dbraw/zinc/12/57/90/1072125790.db2.gz CDELTXVCRQVLBB-DLBZAZTESA-N 1 1 404.577 -0.183 20 0 HBADMO CCOCCC[N@H+]1CC[C@@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000469475615 1072125823 /nfs/dbraw/zinc/12/58/23/1072125823.db2.gz CDELTXVCRQVLBB-IAGOWNOFSA-N 1 1 404.577 -0.183 20 0 HBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000469475616 1072125797 /nfs/dbraw/zinc/12/57/97/1072125797.db2.gz CDELTXVCRQVLBB-IRXDYDNUSA-N 1 1 404.577 -0.183 20 0 HBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)CN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000469475617 1072125778 /nfs/dbraw/zinc/12/57/78/1072125778.db2.gz CDELTXVCRQVLBB-SJORKVTESA-N 1 1 404.577 -0.183 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)CC1 ZINC000469490290 1072127192 /nfs/dbraw/zinc/12/71/92/1072127192.db2.gz QTGGMKBIDSKDQL-UHFFFAOYSA-N 1 1 415.516 -0.953 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000469501647 1070401835 /nfs/dbraw/zinc/40/18/35/1070401835.db2.gz NCBFZNGLEVSPIM-AWEZNQCLSA-N 1 1 401.533 -0.447 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000469501648 1070401439 /nfs/dbraw/zinc/40/14/39/1070401439.db2.gz NCBFZNGLEVSPIM-CQSZACIVSA-N 1 1 401.533 -0.447 20 0 HBADMO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000469504597 1072129016 /nfs/dbraw/zinc/12/90/16/1072129016.db2.gz HUAZEEXEENWJFS-UHFFFAOYSA-N 1 1 419.526 -0.116 20 0 HBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000469537847 1070501329 /nfs/dbraw/zinc/50/13/29/1070501329.db2.gz NYKLHSNPNQQKFU-OWCLPIDISA-N 1 1 400.545 -0.693 20 0 HBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000469537848 1070501174 /nfs/dbraw/zinc/50/11/74/1070501174.db2.gz NYKLHSNPNQQKFU-XHSDSOJGSA-N 1 1 400.545 -0.693 20 0 HBADMO CC[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@H+]1CCOC ZINC000469565288 1072132259 /nfs/dbraw/zinc/13/22/59/1072132259.db2.gz MMGRKPYQVMOLMQ-HNNXBMFYSA-N 1 1 406.549 -0.610 20 0 HBADMO CC[C@@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@H+]1CCOC ZINC000469565289 1072132175 /nfs/dbraw/zinc/13/21/75/1072132175.db2.gz MMGRKPYQVMOLMQ-OAHLLOKOSA-N 1 1 406.549 -0.610 20 0 HBADMO CCOCC[N@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1C ZINC000469566088 1072132212 /nfs/dbraw/zinc/13/22/12/1072132212.db2.gz ZBWQXTUDURLUJP-HNNXBMFYSA-N 1 1 406.549 -0.610 20 0 HBADMO CCOCC[N@@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@@H]1C ZINC000469566088 1072132209 /nfs/dbraw/zinc/13/22/09/1072132209.db2.gz ZBWQXTUDURLUJP-HNNXBMFYSA-N 1 1 406.549 -0.610 20 0 HBADMO CCOCC[N@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1C ZINC000469566089 1072132162 /nfs/dbraw/zinc/13/21/62/1072132162.db2.gz ZBWQXTUDURLUJP-OAHLLOKOSA-N 1 1 406.549 -0.610 20 0 HBADMO CCOCC[N@@H+]1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)C[C@H]1C ZINC000469566089 1072132160 /nfs/dbraw/zinc/13/21/60/1072132160.db2.gz ZBWQXTUDURLUJP-OAHLLOKOSA-N 1 1 406.549 -0.610 20 0 HBADMO Cc1c([C@@H]2[C@H](C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469596523 1072133197 /nfs/dbraw/zinc/13/31/97/1072133197.db2.gz IAOKKBPUFQMHOW-BEFAXECRSA-N 1 1 404.515 -0.130 20 0 HBADMO Cc1c([C@H]2[C@H](C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469596524 1072133211 /nfs/dbraw/zinc/13/32/11/1072133211.db2.gz IAOKKBPUFQMHOW-DNVCBOLYSA-N 1 1 404.515 -0.130 20 0 HBADMO Cc1c([C@H]2[C@@H](C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469596525 1072133712 /nfs/dbraw/zinc/13/37/12/1072133712.db2.gz IAOKKBPUFQMHOW-HNAYVOBHSA-N 1 1 404.515 -0.130 20 0 HBADMO Cc1c([C@@H]2[C@@H](C(=O)N3CC[NH+](CCC(=O)N(C)C)CC3)CC(=O)N2C)cnn1C ZINC000469596526 1072133825 /nfs/dbraw/zinc/13/38/25/1072133825.db2.gz IAOKKBPUFQMHOW-KXBFYZLASA-N 1 1 404.515 -0.130 20 0 HBADMO CC[C@H]1CN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC[N@H+]1C[C@@H](C)O ZINC000469600345 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CN(C(=O)C1(S(C)(=O)=O)CC1)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000472090467 1068635360 /nfs/dbraw/zinc/63/53/60/1068635360.db2.gz MZKRKYDZSRCUAM-UHFFFAOYSA-N 1 1 400.545 -0.740 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000472099098 1068638323 /nfs/dbraw/zinc/63/83/23/1068638323.db2.gz AYVPVRPXZVPVOO-CYBMUJFWSA-N 1 1 407.489 -0.153 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1F ZINC000472099098 1068638317 /nfs/dbraw/zinc/63/83/17/1068638317.db2.gz AYVPVRPXZVPVOO-CYBMUJFWSA-N 1 1 407.489 -0.153 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000472099099 1068638381 /nfs/dbraw/zinc/63/83/81/1068638381.db2.gz AYVPVRPXZVPVOO-ZDUSSCGKSA-N 1 1 407.489 -0.153 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000472099099 1068638378 /nfs/dbraw/zinc/63/83/78/1068638378.db2.gz AYVPVRPXZVPVOO-ZDUSSCGKSA-N 1 1 407.489 -0.153 20 0 HBADMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)CC2)cn1 ZINC000472099932 1068638671 /nfs/dbraw/zinc/63/86/71/1068638671.db2.gz LVTIZUAEOPVVQW-RBUKOAKNSA-N 1 1 415.498 -0.214 20 0 HBADMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3OCC(=O)N(C)[C@H]3c3cnn(C)c3)CC2)cn1 ZINC000472099932 1068638666 /nfs/dbraw/zinc/63/86/66/1068638666.db2.gz LVTIZUAEOPVVQW-RBUKOAKNSA-N 1 1 415.498 -0.214 20 0 HBADMO Cc1cc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000472100584 1068640166 /nfs/dbraw/zinc/64/01/66/1068640166.db2.gz UEWGCCPNFFOVBL-AWEZNQCLSA-N 1 1 402.499 -0.304 20 0 HBADMO Cc1cc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000472100585 1068640456 /nfs/dbraw/zinc/64/04/56/1068640456.db2.gz UEWGCCPNFFOVBL-CQSZACIVSA-N 1 1 402.499 -0.304 20 0 HBADMO CCc1c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000472109065 1068641822 /nfs/dbraw/zinc/64/18/22/1068641822.db2.gz VRANTLMBNDQGFC-AWEZNQCLSA-N 1 1 416.526 -0.050 20 0 HBADMO CCc1c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000472109066 1068641740 /nfs/dbraw/zinc/64/17/40/1068641740.db2.gz VRANTLMBNDQGFC-CQSZACIVSA-N 1 1 416.526 -0.050 20 0 HBADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146027 1068649411 /nfs/dbraw/zinc/64/94/11/1068649411.db2.gz PVKOYZDKLRUQRV-RBUKOAKNSA-N 1 1 406.531 -0.197 20 0 HBADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cnn(C)c1 ZINC000472146027 1068649403 /nfs/dbraw/zinc/64/94/03/1068649403.db2.gz PVKOYZDKLRUQRV-RBUKOAKNSA-N 1 1 406.531 -0.197 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000472152736 1068650911 /nfs/dbraw/zinc/65/09/11/1068650911.db2.gz HYKIDJKOJVFOPZ-KRWDZBQOSA-N 1 1 418.416 -0.102 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)CC1 ZINC000472152761 1068651050 /nfs/dbraw/zinc/65/10/50/1068651050.db2.gz HYKIDJKOJVFOPZ-QGZVFWFLSA-N 1 1 418.416 -0.102 20 0 HBADMO Cn1cc([C@H]2[C@H](C(=O)NCC3CCN(CC[NH+](C)C)CC3)OCC(=O)N2C)cn1 ZINC000472154113 1068651019 /nfs/dbraw/zinc/65/10/19/1068651019.db2.gz KJGMRWVDPJBIIW-RBUKOAKNSA-N 1 1 406.531 -0.292 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160222 1068653924 /nfs/dbraw/zinc/65/39/24/1068653924.db2.gz TZZGKQZSMXSPEO-AYOQOUSVSA-N 1 1 406.531 -0.292 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160226 1068653804 /nfs/dbraw/zinc/65/38/04/1068653804.db2.gz TZZGKQZSMXSPEO-ZYSHUDEJSA-N 1 1 406.531 -0.292 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472160676 1068654645 /nfs/dbraw/zinc/65/46/45/1068654645.db2.gz UXRWBRXNWRZZEL-RBUKOAKNSA-N 1 1 406.531 -0.148 20 0 HBADMO CCN1CCN(CC(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)C(=O)C1=O ZINC000472202372 1068673071 /nfs/dbraw/zinc/67/30/71/1068673071.db2.gz AQLGKSUMJGFEDA-UHFFFAOYSA-N 1 1 415.494 -0.368 20 0 HBADMO CC[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000472202900 1068673949 /nfs/dbraw/zinc/67/39/49/1068673949.db2.gz AYACOKLAVMBZAZ-OYSPMZIOSA-N 1 1 405.499 -0.112 20 0 HBADMO CC[C@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000472202901 1068674121 /nfs/dbraw/zinc/67/41/21/1068674121.db2.gz AYACOKLAVMBZAZ-QNDJGXFYSA-N 1 1 405.499 -0.112 20 0 HBADMO CC[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000472202902 1068674232 /nfs/dbraw/zinc/67/42/32/1068674232.db2.gz AYACOKLAVMBZAZ-SKWUIDRYSA-N 1 1 405.499 -0.112 20 0 HBADMO CC[C@@H]1CN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000472202903 1068673999 /nfs/dbraw/zinc/67/39/99/1068673999.db2.gz AYACOKLAVMBZAZ-TWKWOARYSA-N 1 1 405.499 -0.112 20 0 HBADMO C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000472207806 1068675355 /nfs/dbraw/zinc/67/53/55/1068675355.db2.gz RHPAKULMIRXCAW-DLBZAZTESA-N 1 1 421.416 -0.183 20 0 HBADMO C[C@@](O)(CNC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C[NH+]1CCOCC1 ZINC000472207815 1068675379 /nfs/dbraw/zinc/67/53/79/1068675379.db2.gz RHPAKULMIRXCAW-IAGOWNOFSA-N 1 1 421.416 -0.183 20 0 HBADMO C[C@](O)(CNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C[NH+]1CCOCC1 ZINC000472207818 1068675441 /nfs/dbraw/zinc/67/54/41/1068675441.db2.gz RHPAKULMIRXCAW-IRXDYDNUSA-N 1 1 421.416 -0.183 20 0 HBADMO C[C@@](O)(CNC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C[NH+]1CCOCC1 ZINC000472207819 1068675304 /nfs/dbraw/zinc/67/53/04/1068675304.db2.gz RHPAKULMIRXCAW-SJORKVTESA-N 1 1 421.416 -0.183 20 0 HBADMO CC(=O)NCCNC(=O)CCC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000472209559 1068676072 /nfs/dbraw/zinc/67/60/72/1068676072.db2.gz WDVPVFSEGGZQSQ-UHFFFAOYSA-N 1 1 417.510 -0.026 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)C3CCN(S(N)(=O)=O)CC3)c2)CC1 ZINC000472227339 1068696859 /nfs/dbraw/zinc/69/68/59/1068696859.db2.gz ZVHCEHYBJGTELC-UHFFFAOYSA-N 1 1 423.539 -0.143 20 0 HBADMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239801 1068716519 /nfs/dbraw/zinc/71/65/19/1068716519.db2.gz IXGWZLPOPCLSEV-MOPGFXCFSA-N 1 1 412.600 -0.019 20 0 HBADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239807 1068716307 /nfs/dbraw/zinc/71/63/07/1068716307.db2.gz IXGWZLPOPCLSEV-OALUTQOASA-N 1 1 412.600 -0.019 20 0 HBADMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239810 1068716442 /nfs/dbraw/zinc/71/64/42/1068716442.db2.gz IXGWZLPOPCLSEV-RBUKOAKNSA-N 1 1 412.600 -0.019 20 0 HBADMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000472239812 1068716499 /nfs/dbraw/zinc/71/64/99/1068716499.db2.gz IXGWZLPOPCLSEV-RTBURBONSA-N 1 1 412.600 -0.019 20 0 HBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472248107 1068721215 /nfs/dbraw/zinc/72/12/15/1068721215.db2.gz VEPFCVBJRVKNDN-DOPJRALCSA-N 1 1 407.471 -0.586 20 0 HBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000472248115 1068721353 /nfs/dbraw/zinc/72/13/53/1068721353.db2.gz VEPFCVBJRVKNDN-JEBQAFNWSA-N 1 1 407.471 -0.586 20 0 HBADMO Cn1c(=O)c(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472255516 1068724450 /nfs/dbraw/zinc/72/44/50/1068724450.db2.gz CYZDHTFBOITGGU-HNNXBMFYSA-N 1 1 413.478 -0.052 20 0 HBADMO Cn1c(=O)c(C(=O)C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472255516 1068724445 /nfs/dbraw/zinc/72/44/45/1068724445.db2.gz CYZDHTFBOITGGU-HNNXBMFYSA-N 1 1 413.478 -0.052 20 0 HBADMO Cn1c(=O)c(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472255517 1068724218 /nfs/dbraw/zinc/72/42/18/1068724218.db2.gz CYZDHTFBOITGGU-OAHLLOKOSA-N 1 1 413.478 -0.052 20 0 HBADMO Cn1c(=O)c(C(=O)C[N@@H+]2CCC[C@H](CC(N)=O)C2)c(N)n(Cc2ccccc2)c1=O ZINC000472255517 1068724206 /nfs/dbraw/zinc/72/42/06/1068724206.db2.gz CYZDHTFBOITGGU-OAHLLOKOSA-N 1 1 413.478 -0.052 20 0 HBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472258187 1068726144 /nfs/dbraw/zinc/72/61/44/1068726144.db2.gz JMDNBQGGOCMCMR-AWEZNQCLSA-N 1 1 400.487 -0.401 20 0 HBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472258191 1068726269 /nfs/dbraw/zinc/72/62/69/1068726269.db2.gz JMDNBQGGOCMCMR-CQSZACIVSA-N 1 1 400.487 -0.401 20 0 HBADMO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)OCC(=O)N2C)cn1 ZINC000472360329 1068916992 /nfs/dbraw/zinc/91/69/92/1068916992.db2.gz JQILHSZFVOAUCQ-BPQIPLTHSA-N 1 1 418.498 -0.917 20 0 HBADMO Cn1cc([C@H]2[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)OCC(=O)N2C)cn1 ZINC000472360330 1068916909 /nfs/dbraw/zinc/91/69/09/1068916909.db2.gz JQILHSZFVOAUCQ-RYQLBKOJSA-N 1 1 418.498 -0.917 20 0 HBADMO CN1CCc2ccc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc2C1=O ZINC000472372896 1068924163 /nfs/dbraw/zinc/92/41/63/1068924163.db2.gz LGBMPNPDIYCAEN-UHFFFAOYSA-N 1 1 401.467 -0.467 20 0 HBADMO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C[C@H](O)C[NH+]1CCOCC1 ZINC000472449127 1068952007 /nfs/dbraw/zinc/95/20/07/1068952007.db2.gz HGFPABZUHYJSNN-AWEZNQCLSA-N 1 1 409.878 -0.121 20 0 HBADMO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C[C@@H](O)C[NH+]1CCOCC1 ZINC000472449164 1068952198 /nfs/dbraw/zinc/95/21/98/1068952198.db2.gz HGFPABZUHYJSNN-CQSZACIVSA-N 1 1 409.878 -0.121 20 0 HBADMO CN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H](O)C[NH+]1CCOCC1 ZINC000472454167 1068955342 /nfs/dbraw/zinc/95/53/42/1068955342.db2.gz ORGZELGIQQQOSO-GFCCVEGCSA-N 1 1 420.919 -0.449 20 0 HBADMO CN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H](O)C[NH+]1CCOCC1 ZINC000472454170 1068955487 /nfs/dbraw/zinc/95/54/87/1068955487.db2.gz ORGZELGIQQQOSO-LBPRGKRZSA-N 1 1 420.919 -0.449 20 0 HBADMO Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000472457797 1068955150 /nfs/dbraw/zinc/95/51/50/1068955150.db2.gz VJNUNCSGFZAHSZ-HNNXBMFYSA-N 1 1 407.450 -0.327 20 0 HBADMO Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000472457798 1068955438 /nfs/dbraw/zinc/95/54/38/1068955438.db2.gz VJNUNCSGFZAHSZ-OAHLLOKOSA-N 1 1 407.450 -0.327 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000472467107 1068963009 /nfs/dbraw/zinc/96/30/09/1068963009.db2.gz BCQGDBLOIVQVIU-DOPJRALCSA-N 1 1 407.471 -0.586 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000472467107 1068963001 /nfs/dbraw/zinc/96/30/01/1068963001.db2.gz BCQGDBLOIVQVIU-DOPJRALCSA-N 1 1 407.471 -0.586 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1C ZINC000472467116 1068963105 /nfs/dbraw/zinc/96/31/05/1068963105.db2.gz BCQGDBLOIVQVIU-JEBQAFNWSA-N 1 1 407.471 -0.586 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)C[C@H]1C ZINC000472467116 1068963102 /nfs/dbraw/zinc/96/31/02/1068963102.db2.gz BCQGDBLOIVQVIU-JEBQAFNWSA-N 1 1 407.471 -0.586 20 0 HBADMO C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000472510845 1068978899 /nfs/dbraw/zinc/97/88/99/1068978899.db2.gz BEHYARGPWMGFCB-GDBMZVCRSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000472510845 1068978890 /nfs/dbraw/zinc/97/88/90/1068978890.db2.gz BEHYARGPWMGFCB-GDBMZVCRSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000472510846 1068979026 /nfs/dbraw/zinc/97/90/26/1068979026.db2.gz BEHYARGPWMGFCB-GOEBONIOSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@H]1C[C@@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000472510846 1068979012 /nfs/dbraw/zinc/97/90/12/1068979012.db2.gz BEHYARGPWMGFCB-GOEBONIOSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000472510847 1068978876 /nfs/dbraw/zinc/97/88/76/1068978876.db2.gz BEHYARGPWMGFCB-HOCLYGCPSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000472510847 1068978868 /nfs/dbraw/zinc/97/88/68/1068978868.db2.gz BEHYARGPWMGFCB-HOCLYGCPSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000472510849 1068978658 /nfs/dbraw/zinc/97/86/58/1068978658.db2.gz BEHYARGPWMGFCB-ZBFHGGJFSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@@H]1C[C@H](O)CN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000472510849 1068978651 /nfs/dbraw/zinc/97/86/51/1068978651.db2.gz BEHYARGPWMGFCB-ZBFHGGJFSA-N 1 1 424.523 -0.067 20 0 HBADMO C[C@@H]1COCCN1CC[N@@H+]1CCN(CCN2CCOC[C@@H]2C)[C@H](C(=O)N(C)C)C1 ZINC000472562060 1069001821 /nfs/dbraw/zinc/00/18/21/1069001821.db2.gz GSRAKBBMNPPDII-AABGKKOBSA-N 1 1 411.591 -0.498 20 0 HBADMO C[C@@H]1COCCN1CCN1CC[N@@H+](CCN2CCOC[C@H]2C)C[C@H]1C(=O)N(C)C ZINC000472562062 1069002149 /nfs/dbraw/zinc/00/21/49/1069002149.db2.gz GSRAKBBMNPPDII-AQNXPRMDSA-N 1 1 411.591 -0.498 20 0 HBADMO C[C@@H]1COCCN1CC[N@@H+]1CCN(CCN2CCOC[C@@H]2C)[C@@H](C(=O)N(C)C)C1 ZINC000472562064 1069001888 /nfs/dbraw/zinc/00/18/88/1069001888.db2.gz GSRAKBBMNPPDII-HSALFYBXSA-N 1 1 411.591 -0.498 20 0 HBADMO C[C@@H]1COCCN1CCN1CC[N@@H+](CCN2CCOC[C@H]2C)C[C@@H]1C(=O)N(C)C ZINC000472562066 1069002688 /nfs/dbraw/zinc/00/26/88/1069002688.db2.gz GSRAKBBMNPPDII-VAMGGRTRSA-N 1 1 411.591 -0.498 20 0 HBADMO CNC(=O)c1cc2cc(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)ccc2[nH]1 ZINC000472573782 1069003679 /nfs/dbraw/zinc/00/36/79/1069003679.db2.gz IYZJNLMJFBZMKZ-UHFFFAOYSA-N 1 1 414.466 -0.254 20 0 HBADMO CNC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccc2[nH]1 ZINC000472602424 1069013073 /nfs/dbraw/zinc/01/30/73/1069013073.db2.gz VCTQJMKRISNRCZ-INIZCTEOSA-N 1 1 414.466 -0.078 20 0 HBADMO CNC(=O)c1cc2cc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccc2[nH]1 ZINC000472602428 1069013336 /nfs/dbraw/zinc/01/33/36/1069013336.db2.gz VCTQJMKRISNRCZ-MRXNPFEDSA-N 1 1 414.466 -0.078 20 0 HBADMO CNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000472630309 1069021407 /nfs/dbraw/zinc/02/14/07/1069021407.db2.gz NNVWMMDAKYFCJG-UHFFFAOYSA-N 1 1 405.484 -0.192 20 0 HBADMO C[NH+]1CCN(c2ncc(CN3CCC(N4CCS(=O)(=O)CC4)CC3)cn2)CC1 ZINC000472631916 1069021245 /nfs/dbraw/zinc/02/12/45/1069021245.db2.gz TVXVQIDUCNXGBH-UHFFFAOYSA-N 1 1 408.572 -0.077 20 0 HBADMO CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccc2[nH]1 ZINC000472635250 1069023278 /nfs/dbraw/zinc/02/32/78/1069023278.db2.gz JXBNWUIAWFLBJU-FQEVSTJZSA-N 1 1 417.466 -0.335 20 0 HBADMO CNC(=O)c1cc2cc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccc2[nH]1 ZINC000472635257 1069023235 /nfs/dbraw/zinc/02/32/35/1069023235.db2.gz JXBNWUIAWFLBJU-HXUWFJFHSA-N 1 1 417.466 -0.335 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000472739595 1069036563 /nfs/dbraw/zinc/03/65/63/1069036563.db2.gz VZCRFDBWYYIWLI-HNNXBMFYSA-N 1 1 413.544 -0.209 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000472739596 1069036500 /nfs/dbraw/zinc/03/65/00/1069036500.db2.gz VZCRFDBWYYIWLI-OAHLLOKOSA-N 1 1 413.544 -0.209 20 0 HBADMO CC(C)N1CC[NH+](CCCN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000472750741 1069038630 /nfs/dbraw/zinc/03/86/30/1069038630.db2.gz KLIOPSDYRGENRE-UHFFFAOYSA-N 1 1 416.636 -0.488 20 0 HBADMO CCCCN(C(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000472768322 1069041778 /nfs/dbraw/zinc/04/17/78/1069041778.db2.gz WATLSQHTSCZCEJ-IBGZPJMESA-N 1 1 424.502 -0.758 20 0 HBADMO CCCCN(C(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000472768322 1069041774 /nfs/dbraw/zinc/04/17/74/1069041774.db2.gz WATLSQHTSCZCEJ-IBGZPJMESA-N 1 1 424.502 -0.758 20 0 HBADMO CCCCN(C(=O)C[N@H+]1CC[C@](O)(C(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000472768323 1069041833 /nfs/dbraw/zinc/04/18/33/1069041833.db2.gz WATLSQHTSCZCEJ-LJQANCHMSA-N 1 1 424.502 -0.758 20 0 HBADMO CCCCN(C(=O)C[N@@H+]1CC[C@](O)(C(N)=O)C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000472768323 1069041829 /nfs/dbraw/zinc/04/18/29/1069041829.db2.gz WATLSQHTSCZCEJ-LJQANCHMSA-N 1 1 424.502 -0.758 20 0 HBADMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1nnnn1CC1CC1 ZINC000472879436 1069059939 /nfs/dbraw/zinc/05/99/39/1069059939.db2.gz VUEMUGOVJCYRJV-UHFFFAOYSA-N 1 1 400.491 -0.115 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000472910398 1069063480 /nfs/dbraw/zinc/06/34/80/1069063480.db2.gz YUIATLWCFRDTGE-KRWDZBQOSA-N 1 1 408.547 -0.511 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000472910399 1069063432 /nfs/dbraw/zinc/06/34/32/1069063432.db2.gz YUIATLWCFRDTGE-QGZVFWFLSA-N 1 1 408.547 -0.511 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000472914993 1069064406 /nfs/dbraw/zinc/06/44/06/1069064406.db2.gz QIWULKRRSJWLSU-DLBZAZTESA-N 1 1 419.592 -0.200 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000472914994 1069064364 /nfs/dbraw/zinc/06/43/64/1069064364.db2.gz QIWULKRRSJWLSU-IAGOWNOFSA-N 1 1 419.592 -0.200 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000472914995 1069064324 /nfs/dbraw/zinc/06/43/24/1069064324.db2.gz QIWULKRRSJWLSU-IRXDYDNUSA-N 1 1 419.592 -0.200 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000472914996 1069064229 /nfs/dbraw/zinc/06/42/29/1069064229.db2.gz QIWULKRRSJWLSU-SJORKVTESA-N 1 1 419.592 -0.200 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000472923622 1069065735 /nfs/dbraw/zinc/06/57/35/1069065735.db2.gz JWUUVTAZQGAWBE-GOSISDBHSA-N 1 1 404.563 -0.076 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000472923635 1069065801 /nfs/dbraw/zinc/06/58/01/1069065801.db2.gz JWUUVTAZQGAWBE-SFHVURJKSA-N 1 1 404.563 -0.076 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000473011675 1069091628 /nfs/dbraw/zinc/09/16/28/1069091628.db2.gz VMABMDYVIVIJKC-DLBZAZTESA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000473011675 1069091626 /nfs/dbraw/zinc/09/16/26/1069091626.db2.gz VMABMDYVIVIJKC-DLBZAZTESA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000473011676 1069091602 /nfs/dbraw/zinc/09/16/02/1069091602.db2.gz VMABMDYVIVIJKC-IAGOWNOFSA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000473011676 1069091597 /nfs/dbraw/zinc/09/15/97/1069091597.db2.gz VMABMDYVIVIJKC-IAGOWNOFSA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000473011677 1069091541 /nfs/dbraw/zinc/09/15/41/1069091541.db2.gz VMABMDYVIVIJKC-IRXDYDNUSA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000473011677 1069091535 /nfs/dbraw/zinc/09/15/35/1069091535.db2.gz VMABMDYVIVIJKC-IRXDYDNUSA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000473011678 1069091648 /nfs/dbraw/zinc/09/16/48/1069091648.db2.gz VMABMDYVIVIJKC-SJORKVTESA-N 1 1 400.520 -0.983 20 0 HBADMO CC(C)N(CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000473011678 1069091645 /nfs/dbraw/zinc/09/16/45/1069091645.db2.gz VMABMDYVIVIJKC-SJORKVTESA-N 1 1 400.520 -0.983 20 0 HBADMO CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000473014518 1069092175 /nfs/dbraw/zinc/09/21/75/1069092175.db2.gz PEYZEEQVIALKJE-STQMWFEESA-N 1 1 402.496 -0.143 20 0 HBADMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cn(CCO)c(=O)[nH]c2=O)cc[nH+]1 ZINC000473014536 1069092375 /nfs/dbraw/zinc/09/23/75/1069092375.db2.gz PJSTZOMCFHTIQH-RYUDHWBXSA-N 1 1 421.433 -0.856 20 0 HBADMO CN(C)C(=O)CCN1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000473037081 1069111294 /nfs/dbraw/zinc/11/12/94/1069111294.db2.gz OHAHOCDBYPQZNF-UHFFFAOYSA-N 1 1 403.531 -0.389 20 0 HBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000473044725 1069583988 /nfs/dbraw/zinc/58/39/88/1069583988.db2.gz 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Cc1nc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)nn1-c1nc(C(F)(F)F)n[nH]1 ZINC000474701644 1071152461 /nfs/dbraw/zinc/15/24/61/1071152461.db2.gz MUZCXFDAGRYGGA-UHFFFAOYSA-N 1 1 415.380 -0.393 20 0 HBADMO CC(C)(O)CN1CCN(C(=O)C2(C(=O)N3CC[NH+](CC(C)(C)O)CC3)CCC2)CC1 ZINC000474703986 1071152476 /nfs/dbraw/zinc/15/24/76/1071152476.db2.gz XURBYTUVWVWUBZ-UHFFFAOYSA-N 1 1 424.586 -0.013 20 0 HBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000474764941 1071155420 /nfs/dbraw/zinc/15/54/20/1071155420.db2.gz YRAOHSORIJIWBU-MSOLQXFVSA-N 1 1 422.526 -0.404 20 0 HBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000474764942 1071155356 /nfs/dbraw/zinc/15/53/56/1071155356.db2.gz YRAOHSORIJIWBU-QZTJIDSGSA-N 1 1 422.526 -0.404 20 0 HBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000474764943 1071155498 /nfs/dbraw/zinc/15/54/98/1071155498.db2.gz YRAOHSORIJIWBU-ROUUACIJSA-N 1 1 422.526 -0.404 20 0 HBADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000474764944 1071155525 /nfs/dbraw/zinc/15/55/25/1071155525.db2.gz YRAOHSORIJIWBU-ZWKOTPCHSA-N 1 1 422.526 -0.404 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000474784077 1071156170 /nfs/dbraw/zinc/15/61/70/1071156170.db2.gz NYQOQCVOIWEZPJ-LLVKDONJSA-N 1 1 402.293 -0.146 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000474784078 1071156366 /nfs/dbraw/zinc/15/63/66/1071156366.db2.gz NYQOQCVOIWEZPJ-NSHDSACASA-N 1 1 402.293 -0.146 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000474788395 1071157006 /nfs/dbraw/zinc/15/70/06/1071157006.db2.gz FOOGUVJEFNBHMQ-AWEZNQCLSA-N 1 1 401.533 -0.305 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000474788396 1071156890 /nfs/dbraw/zinc/15/68/90/1071156890.db2.gz FOOGUVJEFNBHMQ-CQSZACIVSA-N 1 1 401.533 -0.305 20 0 HBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000474788618 1071157117 /nfs/dbraw/zinc/15/71/17/1071157117.db2.gz AVHOFXNAOUGHSP-DZGCQCFKSA-N 1 1 414.576 -0.154 20 0 HBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000474788621 1071156942 /nfs/dbraw/zinc/15/69/42/1071156942.db2.gz AVHOFXNAOUGHSP-HIFRSBDPSA-N 1 1 414.576 -0.154 20 0 HBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000474788623 1071157225 /nfs/dbraw/zinc/15/72/25/1071157225.db2.gz AVHOFXNAOUGHSP-UKRRQHHQSA-N 1 1 414.576 -0.154 20 0 HBADMO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000474788625 1071157068 /nfs/dbraw/zinc/15/70/68/1071157068.db2.gz AVHOFXNAOUGHSP-ZFWWWQNUSA-N 1 1 414.576 -0.154 20 0 HBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cn1C ZINC000474792977 1071157055 /nfs/dbraw/zinc/15/70/55/1071157055.db2.gz XMTFFPUTPOWUGM-AWEZNQCLSA-N 1 1 400.549 -0.461 20 0 HBADMO Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cn1C ZINC000474792978 1071157106 /nfs/dbraw/zinc/15/71/06/1071157106.db2.gz XMTFFPUTPOWUGM-CQSZACIVSA-N 1 1 400.549 -0.461 20 0 HBADMO Cn1c2c(ccn2CC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c(=O)n(C)c1=O ZINC000474800098 1071156982 /nfs/dbraw/zinc/15/69/82/1071156982.db2.gz FZFZKQJEEWQNJG-UHFFFAOYSA-N 1 1 404.515 -0.429 20 0 HBADMO Cc1nc(S(=O)(=O)NCCC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cn1C ZINC000474804629 1071157813 /nfs/dbraw/zinc/15/78/13/1071157813.db2.gz PQERMEHSHDGWBJ-UHFFFAOYSA-N 1 1 414.576 -0.071 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000474809824 1071157840 /nfs/dbraw/zinc/15/78/40/1071157840.db2.gz JJFBNUSSKYTAHS-AWEZNQCLSA-N 1 1 400.549 -0.381 20 0 HBADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000474809825 1071157915 /nfs/dbraw/zinc/15/79/15/1071157915.db2.gz JJFBNUSSKYTAHS-CQSZACIVSA-N 1 1 400.549 -0.381 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cn1C ZINC000474810848 1071157790 /nfs/dbraw/zinc/15/77/90/1071157790.db2.gz PYMVHDOIQNHAEU-UHFFFAOYSA-N 1 1 400.549 -0.461 20 0 HBADMO Cn1c(=O)c2ccc(C(=O)NC(C)(C)CCN3CC[NH+](C)CC3)nc2n(C)c1=O ZINC000474810933 1071157894 /nfs/dbraw/zinc/15/78/94/1071157894.db2.gz PXVYZFRCKAQLFS-UHFFFAOYSA-N 1 1 402.499 -0.222 20 0 HBADMO Cn1c(=O)c2cc(C(=O)NC(C)(C)CCN3CC[NH+](C)CC3)cnc2n(C)c1=O ZINC000474812149 1071157977 /nfs/dbraw/zinc/15/79/77/1071157977.db2.gz BOMCYVSMPJCTTP-UHFFFAOYSA-N 1 1 402.499 -0.222 20 0 HBADMO Cn1c2ncn(CCC(=O)NC(C)(C)CCN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O ZINC000474816992 1071158704 /nfs/dbraw/zinc/15/87/04/1071158704.db2.gz MYNHDPBLMJVWJH-UHFFFAOYSA-N 1 1 419.530 -0.644 20 0 HBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000474820549 1071158731 /nfs/dbraw/zinc/15/87/31/1071158731.db2.gz SIYGNIJGGNPLOC-GOSISDBHSA-N 1 1 409.575 -0.301 20 0 HBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000474820554 1071158787 /nfs/dbraw/zinc/15/87/87/1071158787.db2.gz SIYGNIJGGNPLOC-SFHVURJKSA-N 1 1 409.575 -0.301 20 0 HBADMO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000474822264 1071158760 /nfs/dbraw/zinc/15/87/60/1071158760.db2.gz PFFOPKAUZXRWSA-UHFFFAOYSA-N 1 1 419.592 -0.647 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475017600 1071176752 /nfs/dbraw/zinc/17/67/52/1071176752.db2.gz OXDAVSFCFZVHIT-GOSISDBHSA-N 1 1 411.547 -0.471 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000475017602 1071176835 /nfs/dbraw/zinc/17/68/35/1071176835.db2.gz OXDAVSFCFZVHIT-SFHVURJKSA-N 1 1 411.547 -0.471 20 0 HBADMO COCCNc1nc(NCc2cn(C)nc2C)[nH+]c(NCc2cn(C)nc2C)n1 ZINC000475018012 1071176849 /nfs/dbraw/zinc/17/68/49/1071176849.db2.gz PDLPAALOCPLPMK-UHFFFAOYSA-N 1 1 400.491 -0.496 20 0 HBADMO Cc1nn(C)cc1CNc1nc(N2CCOCC2)nc(NCc2cn(C)nc2C)[nH+]1 ZINC000475026120 1071185496 /nfs/dbraw/zinc/18/54/96/1071185496.db2.gz XDOLXNTUWQGXLN-UHFFFAOYSA-N 1 1 412.502 -0.140 20 0 HBADMO C[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000475106373 1071250648 /nfs/dbraw/zinc/25/06/48/1071250648.db2.gz AXJKZIGTTYWUNZ-GOSISDBHSA-N 1 1 410.563 -0.944 20 0 HBADMO C[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000475106378 1071250875 /nfs/dbraw/zinc/25/08/75/1071250875.db2.gz AXJKZIGTTYWUNZ-SFHVURJKSA-N 1 1 410.563 -0.944 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475107798 1071249240 /nfs/dbraw/zinc/24/92/40/1071249240.db2.gz LSFGVXLQIIQANM-IBGZPJMESA-N 1 1 424.590 -0.554 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475107800 1071250046 /nfs/dbraw/zinc/25/00/46/1071250046.db2.gz LSFGVXLQIIQANM-LJQANCHMSA-N 1 1 424.590 -0.554 20 0 HBADMO CC(C)[C@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000475135377 1071252342 /nfs/dbraw/zinc/25/23/42/1071252342.db2.gz FNFUIEYADLKJJT-IBGZPJMESA-N 1 1 424.590 -0.556 20 0 HBADMO CC(C)[C@@H](CNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)N1CC[NH+](C)CC1 ZINC000475135386 1071252153 /nfs/dbraw/zinc/25/21/53/1071252153.db2.gz FNFUIEYADLKJJT-LJQANCHMSA-N 1 1 424.590 -0.556 20 0 HBADMO CN(C)CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000475139164 1071252917 /nfs/dbraw/zinc/25/29/17/1071252917.db2.gz OHZGZVMRDJZTRD-UHFFFAOYSA-N 1 1 410.563 -0.802 20 0 HBADMO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000475140458 1071253017 /nfs/dbraw/zinc/25/30/17/1071253017.db2.gz QWBNUPYFQPFYHG-GUDVDZBRSA-N 1 1 424.567 -0.507 20 0 HBADMO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccccc1 ZINC000475140462 1071252767 /nfs/dbraw/zinc/25/27/67/1071252767.db2.gz QWBNUPYFQPFYHG-IPMKNSEASA-N 1 1 424.567 -0.507 20 0 HBADMO CN(C)[C@H](CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000475140463 1071252864 /nfs/dbraw/zinc/25/28/64/1071252864.db2.gz QWBNUPYFQPFYHG-OTWHNJEPSA-N 1 1 424.567 -0.507 20 0 HBADMO CN(C)[C@H](CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1 ZINC000475140464 1071252964 /nfs/dbraw/zinc/25/29/64/1071252964.db2.gz QWBNUPYFQPFYHG-QRVBRYPASA-N 1 1 424.567 -0.507 20 0 HBADMO COc1ncc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1C(N)=O ZINC000475156776 1071254396 /nfs/dbraw/zinc/25/43/96/1071254396.db2.gz NBECXRDQKUANIS-GFCCVEGCSA-N 1 1 405.455 -0.161 20 0 HBADMO COc1ncc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1C(N)=O ZINC000475156777 1071254296 /nfs/dbraw/zinc/25/42/96/1071254296.db2.gz NBECXRDQKUANIS-LBPRGKRZSA-N 1 1 405.455 -0.161 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000475160694 1071254427 /nfs/dbraw/zinc/25/44/27/1071254427.db2.gz FFCSFKFAXSMMCC-CABCVRRESA-N 1 1 408.503 -0.179 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000475160779 1071254435 /nfs/dbraw/zinc/25/44/35/1071254435.db2.gz FFCSFKFAXSMMCC-GJZGRUSLSA-N 1 1 408.503 -0.179 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000475160782 1071254335 /nfs/dbraw/zinc/25/43/35/1071254335.db2.gz FFCSFKFAXSMMCC-HUUCEWRRSA-N 1 1 408.503 -0.179 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000475160784 1071254451 /nfs/dbraw/zinc/25/44/51/1071254451.db2.gz FFCSFKFAXSMMCC-LSDHHAIUSA-N 1 1 408.503 -0.179 20 0 HBADMO O=C(Cn1cc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cn1)N1CCOCC1 ZINC000475160967 1071254286 /nfs/dbraw/zinc/25/42/86/1071254286.db2.gz FTRDJAMXMQXOMI-UHFFFAOYSA-N 1 1 404.471 -0.765 20 0 HBADMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164861 1071255036 /nfs/dbraw/zinc/25/50/36/1071255036.db2.gz UKHRKNKCCQYIRF-CVEARBPZSA-N 1 1 420.514 -0.083 20 0 HBADMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164862 1071254941 /nfs/dbraw/zinc/25/49/41/1071254941.db2.gz UKHRKNKCCQYIRF-HOTGVXAUSA-N 1 1 420.514 -0.083 20 0 HBADMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164863 1071255216 /nfs/dbraw/zinc/25/52/16/1071255216.db2.gz UKHRKNKCCQYIRF-HZPDHXFCSA-N 1 1 420.514 -0.083 20 0 HBADMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475164864 1071255119 /nfs/dbraw/zinc/25/51/19/1071255119.db2.gz UKHRKNKCCQYIRF-JKSUJKDBSA-N 1 1 420.514 -0.083 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475165345 1071255173 /nfs/dbraw/zinc/25/51/73/1071255173.db2.gz VJNKTUSIGSYSSA-CYBMUJFWSA-N 1 1 406.487 -0.483 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)CC1 ZINC000475165346 1071255299 /nfs/dbraw/zinc/25/52/99/1071255299.db2.gz VJNKTUSIGSYSSA-ZDUSSCGKSA-N 1 1 406.487 -0.483 20 0 HBADMO COc1ncc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1C(N)=O ZINC000475185499 1071258230 /nfs/dbraw/zinc/25/82/30/1071258230.db2.gz PJNFUAUWUGXOSX-HNNXBMFYSA-N 1 1 406.487 -0.484 20 0 HBADMO COc1ncc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)cc1C(N)=O ZINC000475185504 1071258139 /nfs/dbraw/zinc/25/81/39/1071258139.db2.gz PJNFUAUWUGXOSX-OAHLLOKOSA-N 1 1 406.487 -0.484 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cn1 ZINC000475187830 1071258713 /nfs/dbraw/zinc/25/87/13/1071258713.db2.gz UIGQJRRFDLQZKZ-CABCVRRESA-N 1 1 408.503 -0.037 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cn1 ZINC000475187831 1071258962 /nfs/dbraw/zinc/25/89/62/1071258962.db2.gz UIGQJRRFDLQZKZ-GJZGRUSLSA-N 1 1 408.503 -0.037 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cn1 ZINC000475187832 1071259043 /nfs/dbraw/zinc/25/90/43/1071259043.db2.gz UIGQJRRFDLQZKZ-HUUCEWRRSA-N 1 1 408.503 -0.037 20 0 HBADMO COCCNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cn1 ZINC000475187833 1071258841 /nfs/dbraw/zinc/25/88/41/1071258841.db2.gz UIGQJRRFDLQZKZ-LSDHHAIUSA-N 1 1 408.503 -0.037 20 0 HBADMO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1)N1CCOCC1 ZINC000475188340 1071258902 /nfs/dbraw/zinc/25/89/02/1071258902.db2.gz ZDOZQOGBLLMAJY-CVEARBPZSA-N 1 1 404.471 -0.577 20 0 HBADMO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1)N1CCOCC1 ZINC000475188341 1071258735 /nfs/dbraw/zinc/25/87/35/1071258735.db2.gz ZDOZQOGBLLMAJY-HOTGVXAUSA-N 1 1 404.471 -0.577 20 0 HBADMO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1)N1CCOCC1 ZINC000475188342 1071258879 /nfs/dbraw/zinc/25/88/79/1071258879.db2.gz ZDOZQOGBLLMAJY-HZPDHXFCSA-N 1 1 404.471 -0.577 20 0 HBADMO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cn1)N1CCOCC1 ZINC000475188343 1071258999 /nfs/dbraw/zinc/25/89/99/1071258999.db2.gz ZDOZQOGBLLMAJY-JKSUJKDBSA-N 1 1 404.471 -0.577 20 0 HBADMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475189399 1071260987 /nfs/dbraw/zinc/26/09/87/1071260987.db2.gz AXFWSPLDFOWWAR-HNNXBMFYSA-N 1 1 406.487 -0.329 20 0 HBADMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475189400 1071261303 /nfs/dbraw/zinc/26/13/03/1071261303.db2.gz AXFWSPLDFOWWAR-OAHLLOKOSA-N 1 1 406.487 -0.329 20 0 HBADMO CC(C)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475190227 1071260464 /nfs/dbraw/zinc/26/04/64/1071260464.db2.gz DYPGKYUSUUQYRS-UHFFFAOYSA-N 1 1 406.487 -0.519 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000475190508 1071260591 /nfs/dbraw/zinc/26/05/91/1071260591.db2.gz LGWISLGOBJGNLE-CVEARBPZSA-N 1 1 420.514 -0.083 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000475190509 1071260313 /nfs/dbraw/zinc/26/03/13/1071260313.db2.gz LGWISLGOBJGNLE-HOTGVXAUSA-N 1 1 420.514 -0.083 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000475190510 1071260372 /nfs/dbraw/zinc/26/03/72/1071260372.db2.gz LGWISLGOBJGNLE-HZPDHXFCSA-N 1 1 420.514 -0.083 20 0 HBADMO 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ZINC000478574798 1069858977 /nfs/dbraw/zinc/85/89/77/1069858977.db2.gz IGMAZFOLENNUFI-UHFFFAOYSA-N 1 1 416.475 -0.012 20 0 HBADMO Cn1nccc1N1CCC[C@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1=O ZINC000478650909 1069866633 /nfs/dbraw/zinc/86/66/33/1069866633.db2.gz MFJDGTMIFKERAN-KRWDZBQOSA-N 1 1 421.546 -0.395 20 0 HBADMO Cn1nccc1N1CCC[C@@H](NC(=O)NCCCCN2CC[NH+](CCO)CC2)C1=O ZINC000478650910 1069866682 /nfs/dbraw/zinc/86/66/82/1069866682.db2.gz MFJDGTMIFKERAN-QGZVFWFLSA-N 1 1 421.546 -0.395 20 0 HBADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000478714731 1069882981 /nfs/dbraw/zinc/88/29/81/1069882981.db2.gz DFYRGIDZNWUOML-AWEZNQCLSA-N 1 1 404.500 -0.315 20 0 HBADMO CSc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000478714736 1069883198 /nfs/dbraw/zinc/88/31/98/1069883198.db2.gz DFYRGIDZNWUOML-CQSZACIVSA-N 1 1 404.500 -0.315 20 0 HBADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000478717623 1069886371 /nfs/dbraw/zinc/88/63/71/1069886371.db2.gz HFFLMYGQXHNTBM-HNNXBMFYSA-N 1 1 411.528 -0.326 20 0 HBADMO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000478717632 1069887369 /nfs/dbraw/zinc/88/73/69/1069887369.db2.gz HFFLMYGQXHNTBM-OAHLLOKOSA-N 1 1 411.528 -0.326 20 0 HBADMO NC(=O)COc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000478729495 1069887892 /nfs/dbraw/zinc/88/78/92/1069887892.db2.gz ZNLPHONRRJQSSO-INIZCTEOSA-N 1 1 404.467 -0.652 20 0 HBADMO NC(=O)COc1cccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000478729496 1069888008 /nfs/dbraw/zinc/88/80/08/1069888008.db2.gz ZNLPHONRRJQSSO-MRXNPFEDSA-N 1 1 404.467 -0.652 20 0 HBADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478740967 1069889475 /nfs/dbraw/zinc/88/94/75/1069889475.db2.gz BPTDXIKKQKWWBF-UHFFFAOYSA-N 1 1 406.483 -0.528 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000478741150 1069889131 /nfs/dbraw/zinc/88/91/31/1069889131.db2.gz PNAQDZSLWNBVTP-INIZCTEOSA-N 1 1 423.539 -0.228 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000478741152 1069889684 /nfs/dbraw/zinc/88/96/84/1069889684.db2.gz PNAQDZSLWNBVTP-MRXNPFEDSA-N 1 1 423.539 -0.228 20 0 HBADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478741675 1069889743 /nfs/dbraw/zinc/88/97/43/1069889743.db2.gz CGXNTNOQEXVYHN-UHFFFAOYSA-N 1 1 420.510 -0.016 20 0 HBADMO C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCCO1 ZINC000478742488 1069889541 /nfs/dbraw/zinc/88/95/41/1069889541.db2.gz DSKSEHUGRSSOHM-HNNXBMFYSA-N 1 1 406.483 -0.216 20 0 HBADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CCCO1 ZINC000478742489 1069890184 /nfs/dbraw/zinc/89/01/84/1069890184.db2.gz DSKSEHUGRSSOHM-OAHLLOKOSA-N 1 1 406.483 -0.216 20 0 HBADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478744228 1069891310 /nfs/dbraw/zinc/89/13/10/1069891310.db2.gz HSVOFQIFRBVVTL-UHFFFAOYSA-N 1 1 419.526 -0.349 20 0 HBADMO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478744228 1069891289 /nfs/dbraw/zinc/89/12/89/1069891289.db2.gz HSVOFQIFRBVVTL-UHFFFAOYSA-N 1 1 419.526 -0.349 20 0 HBADMO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC(=O)N1C ZINC000478747561 1069891232 /nfs/dbraw/zinc/89/12/32/1069891232.db2.gz PYRBXXTUEAHXDE-KYJSFNMBSA-N 1 1 402.499 -0.296 20 0 HBADMO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC(=O)N1C ZINC000478747562 1069891446 /nfs/dbraw/zinc/89/14/46/1069891446.db2.gz PYRBXXTUEAHXDE-LESCRADOSA-N 1 1 402.499 -0.296 20 0 HBADMO Cn1nccc1[C@H]1[C@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC(=O)N1C ZINC000478747563 1069891196 /nfs/dbraw/zinc/89/11/96/1069891196.db2.gz PYRBXXTUEAHXDE-QGPMSJSTSA-N 1 1 402.499 -0.296 20 0 HBADMO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC(=O)N1C ZINC000478747564 1069891016 /nfs/dbraw/zinc/89/10/16/1069891016.db2.gz PYRBXXTUEAHXDE-YXJHDRRASA-N 1 1 402.499 -0.296 20 0 HBADMO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)N(C)C ZINC000478751824 1069892827 /nfs/dbraw/zinc/89/28/27/1069892827.db2.gz VGCNXXHQBHLFDD-HNNXBMFYSA-N 1 1 411.528 -0.454 20 0 HBADMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1S(=O)(=O)N(C)C ZINC000478751825 1069893115 /nfs/dbraw/zinc/89/31/15/1069893115.db2.gz VGCNXXHQBHLFDD-OAHLLOKOSA-N 1 1 411.528 -0.454 20 0 HBADMO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c2ccccc2O1 ZINC000478761818 1069897868 /nfs/dbraw/zinc/89/78/68/1069897868.db2.gz AIMGIAHSQRDJAA-CRAIPNDOSA-N 1 1 417.510 -0.331 20 0 HBADMO CCCNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c2ccccc2O1 ZINC000478761820 1069897904 /nfs/dbraw/zinc/89/79/04/1069897904.db2.gz AIMGIAHSQRDJAA-MAUKXSAKSA-N 1 1 417.510 -0.331 20 0 HBADMO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c2ccccc2O1 ZINC000478761822 1069898220 /nfs/dbraw/zinc/89/82/20/1069898220.db2.gz AIMGIAHSQRDJAA-QAPCUYQASA-N 1 1 417.510 -0.331 20 0 HBADMO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c2ccccc2O1 ZINC000478761824 1069897970 /nfs/dbraw/zinc/89/79/70/1069897970.db2.gz AIMGIAHSQRDJAA-YJBOKZPZSA-N 1 1 417.510 -0.331 20 0 HBADMO CCn1nccc1N1CCC[C@H](NC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1=O ZINC000478764089 1069898789 /nfs/dbraw/zinc/89/87/89/1069898789.db2.gz SLCIUZFEMKZYQU-HNNXBMFYSA-N 1 1 405.503 -0.092 20 0 HBADMO CCn1nccc1N1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1=O ZINC000478764090 1069898774 /nfs/dbraw/zinc/89/87/74/1069898774.db2.gz SLCIUZFEMKZYQU-OAHLLOKOSA-N 1 1 405.503 -0.092 20 0 HBADMO C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)CCO1 ZINC000478771734 1069893584 /nfs/dbraw/zinc/89/35/84/1069893584.db2.gz CSMQLZFQZHIRSY-HNNXBMFYSA-N 1 1 418.494 -0.121 20 0 HBADMO C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)CCO1 ZINC000478771735 1069893865 /nfs/dbraw/zinc/89/38/65/1069893865.db2.gz CSMQLZFQZHIRSY-OAHLLOKOSA-N 1 1 418.494 -0.121 20 0 HBADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1(C)C ZINC000478772623 1069893638 /nfs/dbraw/zinc/89/36/38/1069893638.db2.gz FRDJQHHUFCJMAQ-UHFFFAOYSA-N 1 1 405.499 -0.691 20 0 HBADMO CCn1nccc1N1CCC[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000478773398 1069894514 /nfs/dbraw/zinc/89/45/14/1069894514.db2.gz PLYJRAPCRLOLBR-HNNXBMFYSA-N 1 1 405.503 -0.138 20 0 HBADMO CCn1nccc1N1CCC[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000478773403 1069894307 /nfs/dbraw/zinc/89/43/07/1069894307.db2.gz PLYJRAPCRLOLBR-OAHLLOKOSA-N 1 1 405.503 -0.138 20 0 HBADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478777320 1069896809 /nfs/dbraw/zinc/89/68/09/1069896809.db2.gz OMRRZMOEAGAJRJ-HNNXBMFYSA-N 1 1 418.494 -0.121 20 0 HBADMO C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000478777583 1069896714 /nfs/dbraw/zinc/89/67/14/1069896714.db2.gz YQFWITWPUXZGSD-GASCZTMLSA-N 1 1 406.483 -0.218 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000478777957 1069895506 /nfs/dbraw/zinc/89/55/06/1069895506.db2.gz PPPVZSNPOVDALZ-AWEZNQCLSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000478777957 1069895483 /nfs/dbraw/zinc/89/54/83/1069895483.db2.gz PPPVZSNPOVDALZ-AWEZNQCLSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000478777958 1069895637 /nfs/dbraw/zinc/89/56/37/1069895637.db2.gz PPPVZSNPOVDALZ-CQSZACIVSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC[N@@H+]1CC(C)(C)O ZINC000478777958 1069895615 /nfs/dbraw/zinc/89/56/15/1069895615.db2.gz PPPVZSNPOVDALZ-CQSZACIVSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478778381 1069896586 /nfs/dbraw/zinc/89/65/86/1069896586.db2.gz RLPCSPRFOXCFSW-AWEZNQCLSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478778381 1069896574 /nfs/dbraw/zinc/89/65/74/1069896574.db2.gz RLPCSPRFOXCFSW-AWEZNQCLSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478778382 1069896284 /nfs/dbraw/zinc/89/62/84/1069896284.db2.gz RLPCSPRFOXCFSW-CQSZACIVSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478778382 1069896259 /nfs/dbraw/zinc/89/62/59/1069896259.db2.gz RLPCSPRFOXCFSW-CQSZACIVSA-N 1 1 406.483 -0.530 20 0 HBADMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478797082 1069899503 /nfs/dbraw/zinc/89/95/03/1069899503.db2.gz OMRRZMOEAGAJRJ-OAHLLOKOSA-N 1 1 418.494 -0.121 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000478800375 1069905379 /nfs/dbraw/zinc/90/53/79/1069905379.db2.gz QNHVNFBXYQXMPH-KRWDZBQOSA-N 1 1 417.510 -0.012 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000478800386 1069905498 /nfs/dbraw/zinc/90/54/98/1069905498.db2.gz QNHVNFBXYQXMPH-QGZVFWFLSA-N 1 1 417.510 -0.012 20 0 HBADMO NC(=O)COc1cccc(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000478803596 1069901358 /nfs/dbraw/zinc/90/13/58/1069901358.db2.gz PAVPJKAIJHDFOI-UHFFFAOYSA-N 1 1 404.467 -0.510 20 0 HBADMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000478825557 1069906541 /nfs/dbraw/zinc/90/65/41/1069906541.db2.gz DQVABIREZXPROZ-HNNXBMFYSA-N 1 1 403.483 -0.533 20 0 HBADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000478825558 1069906186 /nfs/dbraw/zinc/90/61/86/1069906186.db2.gz DQVABIREZXPROZ-OAHLLOKOSA-N 1 1 403.483 -0.533 20 0 HBADMO CNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000478834665 1069907444 /nfs/dbraw/zinc/90/74/44/1069907444.db2.gz ILIKNNYVQDUXFC-INIZCTEOSA-N 1 1 415.494 -0.003 20 0 HBADMO CNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000478834668 1069907417 /nfs/dbraw/zinc/90/74/17/1069907417.db2.gz ILIKNNYVQDUXFC-MRXNPFEDSA-N 1 1 415.494 -0.003 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000478837630 1069907459 /nfs/dbraw/zinc/90/74/59/1069907459.db2.gz RZILFPDEAQRULR-IBGZPJMESA-N 1 1 403.527 -0.138 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000478837636 1069907293 /nfs/dbraw/zinc/90/72/93/1069907293.db2.gz RZILFPDEAQRULR-LJQANCHMSA-N 1 1 403.527 -0.138 20 0 HBADMO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000478843982 1069909291 /nfs/dbraw/zinc/90/92/91/1069909291.db2.gz YZVXVZQAANNMHI-INIZCTEOSA-N 1 1 423.539 -0.230 20 0 HBADMO CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000478843983 1069909065 /nfs/dbraw/zinc/90/90/65/1069909065.db2.gz YZVXVZQAANNMHI-MRXNPFEDSA-N 1 1 423.539 -0.230 20 0 HBADMO CN(C)CC[NH+]1CCC(NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000478844852 1069909216 /nfs/dbraw/zinc/90/92/16/1069909216.db2.gz XVWUOPGJBXMLQB-MRXNPFEDSA-N 1 1 404.581 -0.418 20 0 HBADMO 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CC[C@@H](CO)N1CCN(c2nc(C)nc(N3CC[NH+]([C@@H](CC)CO)CC3)n2)CC1 ZINC000480112932 1070066563 /nfs/dbraw/zinc/06/65/63/1070066563.db2.gz BVIFKKWHBFMCDC-ROUUACIJSA-N 1 1 407.563 -0.034 20 0 HBADMO CCn1nccc1N1CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000480141636 1070069569 /nfs/dbraw/zinc/06/95/69/1070069569.db2.gz REAOJCXTHJFKOL-BEFAXECRSA-N 1 1 408.503 -0.219 20 0 HBADMO CCn1nccc1N1CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000480141637 1070069338 /nfs/dbraw/zinc/06/93/38/1070069338.db2.gz REAOJCXTHJFKOL-DNVCBOLYSA-N 1 1 408.503 -0.219 20 0 HBADMO CCn1nccc1N1CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000480141638 1070069458 /nfs/dbraw/zinc/06/94/58/1070069458.db2.gz REAOJCXTHJFKOL-HNAYVOBHSA-N 1 1 408.503 -0.219 20 0 HBADMO CCn1nccc1N1CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000480141639 1070069300 /nfs/dbraw/zinc/06/93/00/1070069300.db2.gz REAOJCXTHJFKOL-KXBFYZLASA-N 1 1 408.503 -0.219 20 0 HBADMO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000480152306 1070072256 /nfs/dbraw/zinc/07/22/56/1070072256.db2.gz LEDGFDFHDMMYSA-HNNXBMFYSA-N 1 1 410.544 -0.131 20 0 HBADMO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000480152307 1070071943 /nfs/dbraw/zinc/07/19/43/1070071943.db2.gz LEDGFDFHDMMYSA-OAHLLOKOSA-N 1 1 410.544 -0.131 20 0 HBADMO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)C1 ZINC000480153049 1070072016 /nfs/dbraw/zinc/07/20/16/1070072016.db2.gz DYTVKYMVNRDAPD-FQEVSTJZSA-N 1 1 400.483 -0.099 20 0 HBADMO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)C2)C1 ZINC000480153050 1070072050 /nfs/dbraw/zinc/07/20/50/1070072050.db2.gz DYTVKYMVNRDAPD-HXUWFJFHSA-N 1 1 400.483 -0.099 20 0 HBADMO C[C@H](O)CN1CCN(c2cc(N3CC[NH+](C[C@H](C)O)CC3)nc3ncnn32)CC1 ZINC000480193646 1069331578 /nfs/dbraw/zinc/33/15/78/1069331578.db2.gz GFUMCUQXUGTDCQ-HOTGVXAUSA-N 1 1 404.519 -0.870 20 0 HBADMO COc1nc(N2CCN(C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195447 1070078220 /nfs/dbraw/zinc/07/82/20/1070078220.db2.gz ILULGTNKCRDBMR-QAETUUGQSA-N 1 1 423.562 -0.337 20 0 HBADMO COc1nc(N2CCN(C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195447 1070078203 /nfs/dbraw/zinc/07/82/03/1070078203.db2.gz ILULGTNKCRDBMR-QAETUUGQSA-N 1 1 423.562 -0.337 20 0 HBADMO C[C@@H]1CN(c2cc(N3CCN(CCO)[C@@H](C)C3)n3ncnc3n2)CC[N@H+]1CCO ZINC000480201021 1069331755 /nfs/dbraw/zinc/33/17/55/1069331755.db2.gz RWMQKJSLLXMECG-CVEARBPZSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@@H]1CN(c2cc(N3CCN(CCO)[C@@H](C)C3)n3ncnc3n2)CC[N@@H+]1CCO ZINC000480201021 1069331743 /nfs/dbraw/zinc/33/17/43/1069331743.db2.gz RWMQKJSLLXMECG-CVEARBPZSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)nc3ncnn32)CCN1CCO ZINC000480201022 1069332392 /nfs/dbraw/zinc/33/23/92/1069332392.db2.gz RWMQKJSLLXMECG-HOTGVXAUSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)nc3ncnn32)CCN1CCO ZINC000480201022 1069332373 /nfs/dbraw/zinc/33/23/73/1069332373.db2.gz RWMQKJSLLXMECG-HOTGVXAUSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@H](C)C3)nc3ncnn32)CCN1CCO ZINC000480201023 1069332133 /nfs/dbraw/zinc/33/21/33/1069332133.db2.gz RWMQKJSLLXMECG-HZPDHXFCSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@H](C)C3)nc3ncnn32)CCN1CCO ZINC000480201023 1069332116 /nfs/dbraw/zinc/33/21/16/1069332116.db2.gz RWMQKJSLLXMECG-HZPDHXFCSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@@H]1CN(c2cc(N3CC[N@@H+](CCO)[C@@H](C)C3)nc3ncnn32)CCN1CCO ZINC000480201024 1069331981 /nfs/dbraw/zinc/33/19/81/1069331981.db2.gz RWMQKJSLLXMECG-JKSUJKDBSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@@H]1CN(c2cc(N3CC[N@H+](CCO)[C@@H](C)C3)nc3ncnn32)CCN1CCO ZINC000480201024 1069331967 /nfs/dbraw/zinc/33/19/67/1069331967.db2.gz RWMQKJSLLXMECG-JKSUJKDBSA-N 1 1 404.519 -0.870 20 0 HBADMO 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CNC(=O)C[NH+]1CCC(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000480290020 1070086701 /nfs/dbraw/zinc/08/67/01/1070086701.db2.gz PAAMWQMSVKGCCI-UHFFFAOYSA-N 1 1 416.526 -0.163 20 0 HBADMO C[C@@H](O)CN1CCN(c2cc(N3CC[NH+](C[C@@H](C)O)CC3)nc3ncnn32)CC1 ZINC000480323816 1069333595 /nfs/dbraw/zinc/33/35/95/1069333595.db2.gz GFUMCUQXUGTDCQ-HZPDHXFCSA-N 1 1 404.519 -0.870 20 0 HBADMO C[C@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1CC(C)(C)O ZINC000480368352 1070092773 /nfs/dbraw/zinc/09/27/73/1070092773.db2.gz YIXBAANHMRMSKP-AWEZNQCLSA-N 1 1 411.590 -0.235 20 0 HBADMO C[C@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CC(C)(C)O ZINC000480368352 1070092759 /nfs/dbraw/zinc/09/27/59/1070092759.db2.gz YIXBAANHMRMSKP-AWEZNQCLSA-N 1 1 411.590 -0.235 20 0 HBADMO C[C@@H]1CN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC[N@H+]1CC(C)(C)O ZINC000480368383 1070092883 /nfs/dbraw/zinc/09/28/83/1070092883.db2.gz YIXBAANHMRMSKP-CQSZACIVSA-N 1 1 411.590 -0.235 20 0 HBADMO 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CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000480476631 1070105665 /nfs/dbraw/zinc/10/56/65/1070105665.db2.gz OQGPHBSAZJAOFK-UHFFFAOYSA-N 1 1 418.541 -0.654 20 0 HBADMO C[C@](O)(CNC(=O)CCNS(=O)(=O)c1ccccc1F)C[NH+]1CCOCC1 ZINC000480481546 1070103208 /nfs/dbraw/zinc/10/32/08/1070103208.db2.gz VXBFWIHBDGHYQG-KRWDZBQOSA-N 1 1 403.476 -0.307 20 0 HBADMO C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1ccccc1F)C[NH+]1CCOCC1 ZINC000480481550 1070103163 /nfs/dbraw/zinc/10/31/63/1070103163.db2.gz VXBFWIHBDGHYQG-QGZVFWFLSA-N 1 1 403.476 -0.307 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000480482361 1070103186 /nfs/dbraw/zinc/10/31/86/1070103186.db2.gz YEEPSCUOCBOWTF-INIZCTEOSA-N 1 1 411.590 -0.066 20 0 HBADMO CC(C)C[N@@H+]1CCO[C@@H](CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000480482361 1070103182 /nfs/dbraw/zinc/10/31/82/1070103182.db2.gz YEEPSCUOCBOWTF-INIZCTEOSA-N 1 1 411.590 -0.066 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000480482367 1070103097 /nfs/dbraw/zinc/10/30/97/1070103097.db2.gz YEEPSCUOCBOWTF-MRXNPFEDSA-N 1 1 411.590 -0.066 20 0 HBADMO CC(C)C[N@@H+]1CCO[C@H](CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)C1 ZINC000480482367 1070103096 /nfs/dbraw/zinc/10/30/96/1070103096.db2.gz YEEPSCUOCBOWTF-MRXNPFEDSA-N 1 1 411.590 -0.066 20 0 HBADMO C[C@](O)(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C[NH+]1CCOCC1 ZINC000480485271 1070108476 /nfs/dbraw/zinc/10/84/76/1070108476.db2.gz AQBFOUXOSAXJCM-NRFANRHFSA-N 1 1 416.478 -0.742 20 0 HBADMO C[C@@](O)(CNC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C[NH+]1CCOCC1 ZINC000480485272 1070108396 /nfs/dbraw/zinc/10/83/96/1070108396.db2.gz AQBFOUXOSAXJCM-OAQYLSRUSA-N 1 1 416.478 -0.742 20 0 HBADMO C[C@@](O)(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C[NH+]1CCOCC1 ZINC000480494532 1070107375 /nfs/dbraw/zinc/10/73/75/1070107375.db2.gz GRHGIEPKFQGOPM-FXAWDEMLSA-N 1 1 403.483 -0.053 20 0 HBADMO C[C@](O)(CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O)C[NH+]1CCOCC1 ZINC000480494533 1070107582 /nfs/dbraw/zinc/10/75/82/1070107582.db2.gz GRHGIEPKFQGOPM-PXNSSMCTSA-N 1 1 403.483 -0.053 20 0 HBADMO C[C@](O)(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)C[NH+]1CCOCC1 ZINC000480494534 1070107559 /nfs/dbraw/zinc/10/75/59/1070107559.db2.gz GRHGIEPKFQGOPM-XLIONFOSSA-N 1 1 403.483 -0.053 20 0 HBADMO C[C@@](O)(CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O)C[NH+]1CCOCC1 ZINC000480494535 1070107474 /nfs/dbraw/zinc/10/74/74/1070107474.db2.gz GRHGIEPKFQGOPM-YLJYHZDGSA-N 1 1 403.483 -0.053 20 0 HBADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000480497392 1070107396 /nfs/dbraw/zinc/10/73/96/1070107396.db2.gz LBUOGHIEMMZKAM-GOSISDBHSA-N 1 1 413.496 -0.633 20 0 HBADMO CC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1 ZINC000480497394 1070107572 /nfs/dbraw/zinc/10/75/72/1070107572.db2.gz LBUOGHIEMMZKAM-SFHVURJKSA-N 1 1 413.496 -0.633 20 0 HBADMO C[C@](O)(CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C[NH+]1CCOCC1 ZINC000480504465 1070110244 /nfs/dbraw/zinc/11/02/44/1070110244.db2.gz IFPCGYGFRJHJNJ-NRFANRHFSA-N 1 1 414.462 -0.177 20 0 HBADMO C[C@@](O)(CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C[NH+]1CCOCC1 ZINC000480504473 1070110170 /nfs/dbraw/zinc/11/01/70/1070110170.db2.gz IFPCGYGFRJHJNJ-OAQYLSRUSA-N 1 1 414.462 -0.177 20 0 HBADMO C[C@](O)(CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C[NH+]1CCOCC1 ZINC000480504610 1070110150 /nfs/dbraw/zinc/11/01/50/1070110150.db2.gz BIVDESBQUIRHAD-FQEVSTJZSA-N 1 1 404.467 -0.049 20 0 HBADMO C[C@@](O)(CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C[NH+]1CCOCC1 ZINC000480504611 1070110303 /nfs/dbraw/zinc/11/03/03/1070110303.db2.gz BIVDESBQUIRHAD-HXUWFJFHSA-N 1 1 404.467 -0.049 20 0 HBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccc21 ZINC000480510048 1070111174 /nfs/dbraw/zinc/11/11/74/1070111174.db2.gz OFWHOGNAIPWIAI-NRFANRHFSA-N 1 1 418.494 -0.475 20 0 HBADMO CC(=O)NCC(=O)N1CCc2cc(C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccc21 ZINC000480510051 1070111121 /nfs/dbraw/zinc/11/11/21/1070111121.db2.gz OFWHOGNAIPWIAI-OAQYLSRUSA-N 1 1 418.494 -0.475 20 0 HBADMO C[C@](O)(CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C[NH+]1CCOCC1 ZINC000480510085 1070111069 /nfs/dbraw/zinc/11/10/69/1070111069.db2.gz OOCDJBAYOCYCAS-KRWDZBQOSA-N 1 1 421.466 -0.167 20 0 HBADMO C[C@@](O)(CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C[NH+]1CCOCC1 ZINC000480510087 1070111158 /nfs/dbraw/zinc/11/11/58/1070111158.db2.gz OOCDJBAYOCYCAS-QGZVFWFLSA-N 1 1 421.466 -0.167 20 0 HBADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000480512549 1070113380 /nfs/dbraw/zinc/11/33/80/1070113380.db2.gz WNXAKFVWYCVAEI-APWZRJJASA-N 1 1 403.487 -0.526 20 0 HBADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000480512550 1070113345 /nfs/dbraw/zinc/11/33/45/1070113345.db2.gz WNXAKFVWYCVAEI-LPHOPBHVSA-N 1 1 403.487 -0.526 20 0 HBADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000480512551 1070113430 /nfs/dbraw/zinc/11/34/30/1070113430.db2.gz WNXAKFVWYCVAEI-QFBILLFUSA-N 1 1 403.487 -0.526 20 0 HBADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000480512552 1070113459 /nfs/dbraw/zinc/11/34/59/1070113459.db2.gz WNXAKFVWYCVAEI-VQIMIIECSA-N 1 1 403.487 -0.526 20 0 HBADMO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000480519991 1070114137 /nfs/dbraw/zinc/11/41/37/1070114137.db2.gz CHIQGYHOTHCYHF-HNNXBMFYSA-N 1 1 424.589 -0.835 20 0 HBADMO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000480519994 1070115186 /nfs/dbraw/zinc/11/51/86/1070115186.db2.gz CHIQGYHOTHCYHF-OAHLLOKOSA-N 1 1 424.589 -0.835 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000480526975 1070116985 /nfs/dbraw/zinc/11/69/85/1070116985.db2.gz NFKBDQYMVAGKAW-GFCCVEGCSA-N 1 1 404.514 -0.649 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000480526990 1070117181 /nfs/dbraw/zinc/11/71/81/1070117181.db2.gz NFKBDQYMVAGKAW-LBPRGKRZSA-N 1 1 404.514 -0.649 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000480542047 1070116935 /nfs/dbraw/zinc/11/69/35/1070116935.db2.gz OBBAMISSHFHVQU-AWEZNQCLSA-N 1 1 415.560 -0.300 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000480542056 1070118786 /nfs/dbraw/zinc/11/87/86/1070118786.db2.gz OBBAMISSHFHVQU-CQSZACIVSA-N 1 1 415.560 -0.300 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480542868 1070116965 /nfs/dbraw/zinc/11/69/65/1070116965.db2.gz UOTSYINLTBPXSQ-AWEZNQCLSA-N 1 1 418.541 -0.294 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480542868 1070116960 /nfs/dbraw/zinc/11/69/60/1070116960.db2.gz UOTSYINLTBPXSQ-AWEZNQCLSA-N 1 1 418.541 -0.294 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480542869 1070117075 /nfs/dbraw/zinc/11/70/75/1070117075.db2.gz UOTSYINLTBPXSQ-CQSZACIVSA-N 1 1 418.541 -0.294 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480542869 1070117069 /nfs/dbraw/zinc/11/70/69/1070117069.db2.gz UOTSYINLTBPXSQ-CQSZACIVSA-N 1 1 418.541 -0.294 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC000480542956 1070118751 /nfs/dbraw/zinc/11/87/51/1070118751.db2.gz QCHRMHTWBRVMTN-UHFFFAOYSA-N 1 1 417.576 -0.052 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 ZINC000480567567 1070120540 /nfs/dbraw/zinc/12/05/40/1070120540.db2.gz HJXVOJIIAMXYIJ-INIZCTEOSA-N 1 1 423.539 -0.041 20 0 HBADMO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000480583148 1070120564 /nfs/dbraw/zinc/12/05/64/1070120564.db2.gz OCLKORWOTSZLMM-KRWDZBQOSA-N 1 1 422.555 -0.961 20 0 HBADMO O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000480583161 1070120506 /nfs/dbraw/zinc/12/05/06/1070120506.db2.gz OCLKORWOTSZLMM-QGZVFWFLSA-N 1 1 422.555 -0.961 20 0 HBADMO COc1c(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)nn1C ZINC000480584082 1070120468 /nfs/dbraw/zinc/12/04/68/1070120468.db2.gz PDVVJBVPGNDYAP-HNNXBMFYSA-N 1 1 406.487 -0.882 20 0 HBADMO COc1c(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)nn1C ZINC000480584085 1070121347 /nfs/dbraw/zinc/12/13/47/1070121347.db2.gz PDVVJBVPGNDYAP-OAHLLOKOSA-N 1 1 406.487 -0.882 20 0 HBADMO CNc1nc(NC[C@H]2CCCN(C(C)=O)C2)[nH+]c(NC[C@H]2CCCN(C(C)=O)C2)n1 ZINC000480600292 1070124082 /nfs/dbraw/zinc/12/40/82/1070124082.db2.gz HBGLIXVFQKVQMN-IAGOWNOFSA-N 1 1 418.546 -0.480 20 0 HBADMO CNc1nc(NC[C@@H]2CCCN(C(C)=O)C2)[nH+]c(NC[C@@H]2CCCN(C(C)=O)C2)n1 ZINC000480600293 1070123899 /nfs/dbraw/zinc/12/38/99/1070123899.db2.gz HBGLIXVFQKVQMN-IRXDYDNUSA-N 1 1 418.546 -0.480 20 0 HBADMO Cn1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(=O)n(C)c1=O ZINC000480601862 1070124035 /nfs/dbraw/zinc/12/40/35/1070124035.db2.gz REJWITPYSRAFOL-IYBDPMFKSA-N 1 1 404.492 -0.164 20 0 HBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000480639982 1070130394 /nfs/dbraw/zinc/13/03/94/1070130394.db2.gz USWSORMBQLYCQG-AWEZNQCLSA-N 1 1 418.541 -0.479 20 0 HBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000480639982 1070130390 /nfs/dbraw/zinc/13/03/90/1070130390.db2.gz USWSORMBQLYCQG-AWEZNQCLSA-N 1 1 418.541 -0.479 20 0 HBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000480639983 1070130849 /nfs/dbraw/zinc/13/08/49/1070130849.db2.gz USWSORMBQLYCQG-CQSZACIVSA-N 1 1 418.541 -0.479 20 0 HBADMO CNS(=O)(=O)c1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000480639983 1070130840 /nfs/dbraw/zinc/13/08/40/1070130840.db2.gz USWSORMBQLYCQG-CQSZACIVSA-N 1 1 418.541 -0.479 20 0 HBADMO COc1c(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C)nn1C ZINC000480653385 1070132516 /nfs/dbraw/zinc/13/25/16/1070132516.db2.gz ZQSVEKYFJBWBIV-HNNXBMFYSA-N 1 1 408.503 -0.588 20 0 HBADMO COc1c(CNC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)nn1C ZINC000480653386 1070132533 /nfs/dbraw/zinc/13/25/33/1070132533.db2.gz ZQSVEKYFJBWBIV-OAHLLOKOSA-N 1 1 408.503 -0.588 20 0 HBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@@H]1CCSC1 ZINC000480654106 1070132585 /nfs/dbraw/zinc/13/25/85/1070132585.db2.gz SHFYNTRJWDWOFC-GFCCVEGCSA-N 1 1 416.525 -0.351 20 0 HBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[C@H]1CCSC1 ZINC000480654109 1070132711 /nfs/dbraw/zinc/13/27/11/1070132711.db2.gz SHFYNTRJWDWOFC-LBPRGKRZSA-N 1 1 416.525 -0.351 20 0 HBADMO COc1c(CNC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)nn1C ZINC000480654585 1070132740 /nfs/dbraw/zinc/13/27/40/1070132740.db2.gz UALQRDOGYXISPF-INIZCTEOSA-N 1 1 406.531 -0.018 20 0 HBADMO COc1c(CNC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)nn1C ZINC000480654586 1070132685 /nfs/dbraw/zinc/13/26/85/1070132685.db2.gz UALQRDOGYXISPF-MRXNPFEDSA-N 1 1 406.531 -0.018 20 0 HBADMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCSCC1 ZINC000480655749 1070132813 /nfs/dbraw/zinc/13/28/13/1070132813.db2.gz YDFNVFIZKKFKGH-GFCCVEGCSA-N 1 1 416.525 -0.351 20 0 HBADMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCSCC1 ZINC000480655750 1070132786 /nfs/dbraw/zinc/13/27/86/1070132786.db2.gz YDFNVFIZKKFKGH-LBPRGKRZSA-N 1 1 416.525 -0.351 20 0 HBADMO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000480660734 1070130824 /nfs/dbraw/zinc/13/08/24/1070130824.db2.gz GMLBLPJNBAHUQZ-INIZCTEOSA-N 1 1 411.590 -0.186 20 0 HBADMO CS(=O)(=O)N1CCC(CS(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000480660737 1070130951 /nfs/dbraw/zinc/13/09/51/1070130951.db2.gz GMLBLPJNBAHUQZ-MRXNPFEDSA-N 1 1 411.590 -0.186 20 0 HBADMO CS(=O)(=O)c1ccc(S(=O)(=O)NCCCC[NH+]2CCN(CCO)CC2)cn1 ZINC000480668722 1070134717 /nfs/dbraw/zinc/13/47/17/1070134717.db2.gz MLKWOPRUDZRYFP-UHFFFAOYSA-N 1 1 420.557 -0.847 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000480711207 1070140482 /nfs/dbraw/zinc/14/04/82/1070140482.db2.gz QKUGAFGJVVWCCU-UHFFFAOYSA-N 1 1 403.526 -0.050 20 0 HBADMO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000480772359 1070148647 /nfs/dbraw/zinc/14/86/47/1070148647.db2.gz UPZJMCXITBRXOA-INIZCTEOSA-N 1 1 409.574 -0.358 20 0 HBADMO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000480772369 1070148548 /nfs/dbraw/zinc/14/85/48/1070148548.db2.gz UPZJMCXITBRXOA-MRXNPFEDSA-N 1 1 409.574 -0.358 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480806950 1070151845 /nfs/dbraw/zinc/15/18/45/1070151845.db2.gz VAFLKZYFVISBLL-AWEZNQCLSA-N 1 1 416.525 -0.588 20 0 HBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480806952 1070151969 /nfs/dbraw/zinc/15/19/69/1070151969.db2.gz VAFLKZYFVISBLL-CQSZACIVSA-N 1 1 416.525 -0.588 20 0 HBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000480816984 1070153173 /nfs/dbraw/zinc/15/31/73/1070153173.db2.gz NFWLBFQFDFZBST-INIZCTEOSA-N 1 1 402.499 -0.084 20 0 HBADMO C[NH+]1CCN(C(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCCc4c[nH]nc43)CC2)CC1 ZINC000480816985 1070153011 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HBADMO Cc1nc(CN2CCN(S(=O)(=O)c3c(C)nn(CC[NH+](C)C)c3C)CC2)n[nH]1 ZINC000480870374 1070160909 /nfs/dbraw/zinc/16/09/09/1070160909.db2.gz KVADHBSOWAJIMV-UHFFFAOYSA-N 1 1 410.548 -0.005 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000480871753 1070160880 /nfs/dbraw/zinc/16/08/80/1070160880.db2.gz NOYRHEDZCGUDSI-HNNXBMFYSA-N 1 1 416.525 -0.739 20 0 HBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000480871754 1070160853 /nfs/dbraw/zinc/16/08/53/1070160853.db2.gz NOYRHEDZCGUDSI-OAHLLOKOSA-N 1 1 416.525 -0.739 20 0 HBADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480876352 1070163485 /nfs/dbraw/zinc/16/34/85/1070163485.db2.gz IBOPDYHPAFIXQE-OWCLPIDISA-N 1 1 402.561 -0.037 20 0 HBADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480876353 1070163391 /nfs/dbraw/zinc/16/33/91/1070163391.db2.gz IBOPDYHPAFIXQE-XHSDSOJGSA-N 1 1 402.561 -0.037 20 0 HBADMO 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WVIBXMTZTKNDKM-INIZCTEOSA-N 1 1 404.558 -0.047 20 0 HBADMO CS(=O)(=O)N(CC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1)Cc1ccccc1 ZINC000483962408 1070355240 /nfs/dbraw/zinc/35/52/40/1070355240.db2.gz WVIBXMTZTKNDKM-MRXNPFEDSA-N 1 1 404.558 -0.047 20 0 HBADMO CS(=O)(=O)N(CC[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1)Cc1ccccc1 ZINC000483962408 1070355221 /nfs/dbraw/zinc/35/52/21/1070355221.db2.gz WVIBXMTZTKNDKM-MRXNPFEDSA-N 1 1 404.558 -0.047 20 0 HBADMO Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)nc2n(C)c1=O ZINC000484008206 1070357886 /nfs/dbraw/zinc/35/78/86/1070357886.db2.gz SDKYTPZPLLRJFT-AWEZNQCLSA-N 1 1 401.467 -0.183 20 0 HBADMO Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)nc2n(C)c1=O ZINC000484008215 1070357792 /nfs/dbraw/zinc/35/77/92/1070357792.db2.gz SDKYTPZPLLRJFT-CQSZACIVSA-N 1 1 401.467 -0.183 20 0 HBADMO Cn1c(=O)c2cc(C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cnc2n(C)c1=O ZINC000484008726 1070357756 /nfs/dbraw/zinc/35/77/56/1070357756.db2.gz QDFXFRXLXVKBCD-AWEZNQCLSA-N 1 1 401.467 -0.183 20 0 HBADMO Cn1c(=O)c2cc(C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)cnc2n(C)c1=O ZINC000484008728 1070357822 /nfs/dbraw/zinc/35/78/22/1070357822.db2.gz QDFXFRXLXVKBCD-CQSZACIVSA-N 1 1 401.467 -0.183 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484011717 1070359161 /nfs/dbraw/zinc/35/91/61/1070359161.db2.gz ORUCLOFYTRXPCA-HNNXBMFYSA-N 1 1 418.450 -0.570 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484011718 1070359003 /nfs/dbraw/zinc/35/90/03/1070359003.db2.gz ORUCLOFYTRXPCA-OAHLLOKOSA-N 1 1 418.450 -0.570 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000484015834 1070359562 /nfs/dbraw/zinc/35/95/62/1070359562.db2.gz UDTAXTQPRMKAGZ-HNNXBMFYSA-N 1 1 406.483 -0.027 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000484015840 1070359656 /nfs/dbraw/zinc/35/96/56/1070359656.db2.gz UDTAXTQPRMKAGZ-OAHLLOKOSA-N 1 1 406.483 -0.027 20 0 HBADMO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)c1 ZINC000484038242 1070360267 /nfs/dbraw/zinc/36/02/67/1070360267.db2.gz JVSSVYAXWHBKFL-UHFFFAOYSA-N 1 1 406.483 -0.027 20 0 HBADMO CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)CC1 ZINC000484043909 1070361034 /nfs/dbraw/zinc/36/10/34/1070361034.db2.gz RLRMWBNIWBESAG-UHFFFAOYSA-N 1 1 418.450 -0.570 20 0 HBADMO C[N@@H+](CCNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1)Cc1ccc(F)cc1 ZINC000484047548 1070360812 /nfs/dbraw/zinc/36/08/12/1070360812.db2.gz QTUUAIRVEUMRFH-UHFFFAOYSA-N 1 1 404.450 -0.202 20 0 HBADMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@@H]1C ZINC000484052168 1070359884 /nfs/dbraw/zinc/35/98/84/1070359884.db2.gz WJTPYYUOSXRQHO-KBPBESRZSA-N 1 1 418.450 -0.572 20 0 HBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@@H]1C ZINC000484052168 1070359870 /nfs/dbraw/zinc/35/98/70/1070359870.db2.gz WJTPYYUOSXRQHO-KBPBESRZSA-N 1 1 418.450 -0.572 20 0 HBADMO C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@H]1C ZINC000484052172 1070359777 /nfs/dbraw/zinc/35/97/77/1070359777.db2.gz WJTPYYUOSXRQHO-KGLIPLIRSA-N 1 1 418.450 -0.572 20 0 HBADMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@H]1C ZINC000484052172 1070359759 /nfs/dbraw/zinc/35/97/59/1070359759.db2.gz WJTPYYUOSXRQHO-KGLIPLIRSA-N 1 1 418.450 -0.572 20 0 HBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@@H]1C ZINC000484052174 1070359448 /nfs/dbraw/zinc/35/94/48/1070359448.db2.gz WJTPYYUOSXRQHO-UONOGXRCSA-N 1 1 418.450 -0.572 20 0 HBADMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@@H]1C ZINC000484052174 1070359433 /nfs/dbraw/zinc/35/94/33/1070359433.db2.gz WJTPYYUOSXRQHO-UONOGXRCSA-N 1 1 418.450 -0.572 20 0 HBADMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)COCC3=O)c2)C[C@H]1C ZINC000484052176 1070359937 /nfs/dbraw/zinc/35/99/37/1070359937.db2.gz WJTPYYUOSXRQHO-ZIAGYGMSSA-N 1 1 418.450 -0.572 20 0 HBADMO 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422.507 -0.288 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC(CC(N)=O)C3)cc2)CC1 ZINC000485037672 1070424267 /nfs/dbraw/zinc/42/42/67/1070424267.db2.gz ADYJUDHTZAYLAD-UHFFFAOYSA-N 1 1 415.494 -0.335 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1)C(=O)N(C)C ZINC000485057999 1070425825 /nfs/dbraw/zinc/42/58/25/1070425825.db2.gz NPCYIPWCUHGYSP-AWEZNQCLSA-N 1 1 403.483 -0.466 20 0 HBADMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C)cc2)CC1 ZINC000485089488 1070430332 /nfs/dbraw/zinc/43/03/32/1070430332.db2.gz GBGZDMKDJHYJDZ-HNNXBMFYSA-N 1 1 417.510 -0.075 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1)C(=O)N(C)C ZINC000485089558 1070430451 /nfs/dbraw/zinc/43/04/51/1070430451.db2.gz GHCGBWWCVZSAKN-HNNXBMFYSA-N 1 1 405.499 -0.156 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000485089978 1070430412 /nfs/dbraw/zinc/43/04/12/1070430412.db2.gz LHMJCEUHKJQAQB-ZDUSSCGKSA-N 1 1 419.482 -0.386 20 0 HBADMO 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C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)cc2)CC1 ZINC000485122691 1070434080 /nfs/dbraw/zinc/43/40/80/1070434080.db2.gz KVJXBCVRGCOYPF-OAQYLSRUSA-N 1 1 415.494 -0.335 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@](C)(C(N)=O)C3)cc2)CC1 ZINC000485136752 1070434915 /nfs/dbraw/zinc/43/49/15/1070434915.db2.gz WCWNANOEFDMRTP-FQEVSTJZSA-N 1 1 401.467 -0.263 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CC[C@@](C)(C(N)=O)C3)cc2)CC1 ZINC000485136753 1070434875 /nfs/dbraw/zinc/43/48/75/1070434875.db2.gz WCWNANOEFDMRTP-HXUWFJFHSA-N 1 1 401.467 -0.263 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000485159473 1070435646 /nfs/dbraw/zinc/43/56/46/1070435646.db2.gz IVUJJKXMPHINKO-CABCVRRESA-N 1 1 401.533 -0.642 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000485159474 1070435672 /nfs/dbraw/zinc/43/56/72/1070435672.db2.gz IVUJJKXMPHINKO-GJZGRUSLSA-N 1 1 401.533 -0.642 20 0 HBADMO 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CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000488948787 1070588524 /nfs/dbraw/zinc/58/85/24/1070588524.db2.gz ZJUHUZPFMJXKRW-UONOGXRCSA-N 1 1 411.528 -0.326 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000488948789 1070588704 /nfs/dbraw/zinc/58/87/04/1070588704.db2.gz ZJUHUZPFMJXKRW-ZIAGYGMSSA-N 1 1 411.528 -0.326 20 0 HBADMO CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)C1 ZINC000488967104 1070588441 /nfs/dbraw/zinc/58/84/41/1070588441.db2.gz DPPTYXSXARBNPA-INIZCTEOSA-N 1 1 405.499 -0.230 20 0 HBADMO CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CNC(=O)c3ncccc3O)CC2)C1 ZINC000488967618 1070589237 /nfs/dbraw/zinc/58/92/37/1070589237.db2.gz DPPTYXSXARBNPA-MRXNPFEDSA-N 1 1 405.499 -0.230 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000488993907 1070589746 /nfs/dbraw/zinc/58/97/46/1070589746.db2.gz PIMPDRXLCZUMKR-HNNXBMFYSA-N 1 1 413.544 -0.052 20 0 HBADMO 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C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)C[C@H]1C ZINC000492062416 1071554065 /nfs/dbraw/zinc/55/40/65/1071554065.db2.gz NFPXMUCNIDZJAL-ZIAGYGMSSA-N 1 1 412.512 -0.211 20 0 HBADMO COc1ccc(CNC(=O)C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000492222580 1071555854 /nfs/dbraw/zinc/55/58/54/1071555854.db2.gz IIVSWJYGSWEMCL-UHFFFAOYSA-N 1 1 403.483 -0.281 20 0 HBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000492372539 1071558080 /nfs/dbraw/zinc/55/80/80/1071558080.db2.gz GSHQYGYCVXZPRX-AWEZNQCLSA-N 1 1 407.515 -0.328 20 0 HBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492372539 1071558077 /nfs/dbraw/zinc/55/80/77/1071558077.db2.gz GSHQYGYCVXZPRX-AWEZNQCLSA-N 1 1 407.515 -0.328 20 0 HBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000492372546 1071558137 /nfs/dbraw/zinc/55/81/37/1071558137.db2.gz GSHQYGYCVXZPRX-CQSZACIVSA-N 1 1 407.515 -0.328 20 0 HBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000492372546 1071558127 /nfs/dbraw/zinc/55/81/27/1071558127.db2.gz GSHQYGYCVXZPRX-CQSZACIVSA-N 1 1 407.515 -0.328 20 0 HBADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)NC(=O)[C@H]4C3)CC2)cc1 ZINC000492625873 1071562579 /nfs/dbraw/zinc/56/25/79/1071562579.db2.gz GXBRNDRRGZTPCY-GOSISDBHSA-N 1 1 415.494 -0.035 20 0 HBADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000492625874 1071562531 /nfs/dbraw/zinc/56/25/31/1071562531.db2.gz GXBRNDRRGZTPCY-SFHVURJKSA-N 1 1 415.494 -0.035 20 0 HBADMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000492685257 1071564442 /nfs/dbraw/zinc/56/44/42/1071564442.db2.gz UXFVNLUQKLNDSJ-CRAIPNDOSA-N 1 1 415.494 -0.241 20 0 HBADMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000492685258 1071564990 /nfs/dbraw/zinc/56/49/90/1071564990.db2.gz UXFVNLUQKLNDSJ-MAUKXSAKSA-N 1 1 415.494 -0.241 20 0 HBADMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000492685259 1071564900 /nfs/dbraw/zinc/56/49/00/1071564900.db2.gz UXFVNLUQKLNDSJ-QAPCUYQASA-N 1 1 415.494 -0.241 20 0 HBADMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000492685260 1071564973 /nfs/dbraw/zinc/56/49/73/1071564973.db2.gz UXFVNLUQKLNDSJ-YJBOKZPZSA-N 1 1 415.494 -0.241 20 0 HBADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C)CC1 ZINC000492699754 1071564780 /nfs/dbraw/zinc/56/47/80/1071564780.db2.gz FTAKBSGBCIPWQU-AWEZNQCLSA-N 1 1 409.512 -0.619 20 0 HBADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[NH+](C)CC1 ZINC000492699762 1071564932 /nfs/dbraw/zinc/56/49/32/1071564932.db2.gz FTAKBSGBCIPWQU-CQSZACIVSA-N 1 1 409.512 -0.619 20 0 HBADMO CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000492710740 1071565054 /nfs/dbraw/zinc/56/50/54/1071565054.db2.gz ZYLHJSJORZWMAF-MOPGFXCFSA-N 1 1 411.591 -0.008 20 0 HBADMO CC[C@H](C)NC(=O)CN1CCN(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000492710741 1071565602 /nfs/dbraw/zinc/56/56/02/1071565602.db2.gz ZYLHJSJORZWMAF-OALUTQOASA-N 1 1 411.591 -0.008 20 0 HBADMO CC[C@H](C)NC(=O)CN1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000492710742 1071565644 /nfs/dbraw/zinc/56/56/44/1071565644.db2.gz ZYLHJSJORZWMAF-RBUKOAKNSA-N 1 1 411.591 -0.008 20 0 HBADMO CC[C@@H](C)NC(=O)CN1CCN(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000492710743 1071565500 /nfs/dbraw/zinc/56/55/00/1071565500.db2.gz ZYLHJSJORZWMAF-RTBURBONSA-N 1 1 411.591 -0.008 20 0 HBADMO COCCN(C(=O)CN(C)CCCN1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000492850709 1071567991 /nfs/dbraw/zinc/56/79/91/1071567991.db2.gz HQNVKTXPIDTEHA-KRWDZBQOSA-N 1 1 404.577 -0.782 20 0 HBADMO COCCN(C(=O)CN(C)CCCN1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000492850714 1071568049 /nfs/dbraw/zinc/56/80/49/1071568049.db2.gz HQNVKTXPIDTEHA-QGZVFWFLSA-N 1 1 404.577 -0.782 20 0 HBADMO COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000492868102 1071567971 /nfs/dbraw/zinc/56/79/71/1071567971.db2.gz CXYWPGGMCDPCIQ-UHFFFAOYSA-N 1 1 409.468 -0.129 20 0 HBADMO COC[C@H](CCO)NC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000493355426 1071574988 /nfs/dbraw/zinc/57/49/88/1071574988.db2.gz DGAZWSLVARCYTQ-HNNXBMFYSA-N 1 1 422.482 -0.465 20 0 HBADMO COC[C@@H](CCO)NC(=O)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000493355434 1071574910 /nfs/dbraw/zinc/57/49/10/1071574910.db2.gz DGAZWSLVARCYTQ-OAHLLOKOSA-N 1 1 422.482 -0.465 20 0 HBADMO COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000493443045 1071577265 /nfs/dbraw/zinc/57/72/65/1071577265.db2.gz RJPRVGISCHJMJJ-KRWDZBQOSA-N 1 1 406.483 -0.545 20 0 HBADMO COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000493443046 1071577192 /nfs/dbraw/zinc/57/71/92/1071577192.db2.gz RJPRVGISCHJMJJ-QGZVFWFLSA-N 1 1 406.483 -0.545 20 0 HBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC000493506354 1071578333 /nfs/dbraw/zinc/57/83/33/1071578333.db2.gz GZSDMULPGGHAMR-PBHICJAKSA-N 1 1 406.508 -0.027 20 0 HBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC000493506355 1071578278 /nfs/dbraw/zinc/57/82/78/1071578278.db2.gz GZSDMULPGGHAMR-RHSMWYFYSA-N 1 1 406.508 -0.027 20 0 HBADMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC000493506356 1071578316 /nfs/dbraw/zinc/57/83/16/1071578316.db2.gz GZSDMULPGGHAMR-WMLDXEAASA-N 1 1 406.508 -0.027 20 0 HBADMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC000493506357 1071578417 /nfs/dbraw/zinc/57/84/17/1071578417.db2.gz GZSDMULPGGHAMR-YOEHRIQHSA-N 1 1 406.508 -0.027 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H]3C=C[C@H](CO)C3)cc2)CC1 ZINC000493533200 1071578403 /nfs/dbraw/zinc/57/84/03/1071578403.db2.gz WRTHZIBRJQCXTN-FUHWJXTLSA-N 1 1 400.479 -0.005 20 0 HBADMO C[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000493549622 1071578356 /nfs/dbraw/zinc/57/83/56/1071578356.db2.gz QFWXDSFYVDUFRS-AWEZNQCLSA-N 1 1 412.512 -0.162 20 0 HBADMO C[C@@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000493549622 1071578349 /nfs/dbraw/zinc/57/83/49/1071578349.db2.gz QFWXDSFYVDUFRS-AWEZNQCLSA-N 1 1 412.512 -0.162 20 0 HBADMO C[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000493549623 1071578219 /nfs/dbraw/zinc/57/82/19/1071578219.db2.gz QFWXDSFYVDUFRS-CQSZACIVSA-N 1 1 412.512 -0.162 20 0 HBADMO C[C@H](CCO)NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000493549623 1071578213 /nfs/dbraw/zinc/57/82/13/1071578213.db2.gz QFWXDSFYVDUFRS-CQSZACIVSA-N 1 1 412.512 -0.162 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000493733093 1071581397 /nfs/dbraw/zinc/58/13/97/1071581397.db2.gz AEWLHFGQWWOCJI-MHTXLSKPSA-N 1 1 420.535 -0.079 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000493733094 1071581367 /nfs/dbraw/zinc/58/13/67/1071581367.db2.gz AEWLHFGQWWOCJI-HOLBHBGLSA-N 1 1 420.535 -0.079 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000493733095 1071581010 /nfs/dbraw/zinc/58/10/10/1071581010.db2.gz AEWLHFGQWWOCJI-WNNBVUDTSA-N 1 1 420.535 -0.079 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000493733096 1071580993 /nfs/dbraw/zinc/58/09/93/1071580993.db2.gz AEWLHFGQWWOCJI-PEGYKEAPSA-N 1 1 420.535 -0.079 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000493733927 1071581527 /nfs/dbraw/zinc/58/15/27/1071581527.db2.gz GZRBETQZEQVNKZ-IXDOHACOSA-N 1 1 410.515 -0.548 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000493733928 1071581421 /nfs/dbraw/zinc/58/14/21/1071581421.db2.gz GZRBETQZEQVNKZ-YESZJQIVSA-N 1 1 410.515 -0.548 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000493785796 1071582403 /nfs/dbraw/zinc/58/24/03/1071582403.db2.gz ALUTYAHUXHEZPF-SUMNFNSASA-N 1 1 406.508 -0.008 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[S@@]1=O ZINC000493785799 1071582610 /nfs/dbraw/zinc/58/26/10/1071582610.db2.gz ALUTYAHUXHEZPF-POXGOYDTSA-N 1 1 406.508 -0.008 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000493785800 1071582443 /nfs/dbraw/zinc/58/24/43/1071582443.db2.gz ALUTYAHUXHEZPF-HJFSHJIFSA-N 1 1 406.508 -0.008 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[S@]1=O ZINC000493785806 1071582547 /nfs/dbraw/zinc/58/25/47/1071582547.db2.gz ALUTYAHUXHEZPF-GMYLUUGSSA-N 1 1 406.508 -0.008 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1-n1cnnn1 ZINC000493923581 1071585622 /nfs/dbraw/zinc/58/56/22/1071585622.db2.gz CKJWVQZCHSMXNR-AWEZNQCLSA-N 1 1 415.454 -0.210 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1-n1cnnn1 ZINC000493923582 1071585569 /nfs/dbraw/zinc/58/55/69/1071585569.db2.gz CKJWVQZCHSMXNR-CQSZACIVSA-N 1 1 415.454 -0.210 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000493926225 1071585614 /nfs/dbraw/zinc/58/56/14/1071585614.db2.gz NYCKNEBLDCEZMX-AWEZNQCLSA-N 1 1 410.496 -0.286 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000493926226 1071585552 /nfs/dbraw/zinc/58/55/52/1071585552.db2.gz NYCKNEBLDCEZMX-CQSZACIVSA-N 1 1 410.496 -0.286 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)cn1C ZINC000493931611 1071586069 /nfs/dbraw/zinc/58/60/69/1071586069.db2.gz CVIMLGIKDIONNV-AWEZNQCLSA-N 1 1 401.558 -0.001 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)cn1C ZINC000493931612 1071586244 /nfs/dbraw/zinc/58/62/44/1071586244.db2.gz CVIMLGIKDIONNV-CQSZACIVSA-N 1 1 401.558 -0.001 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[NH+]3CCSCC3)CC2)cn1C ZINC000493934647 1071586170 /nfs/dbraw/zinc/58/61/70/1071586170.db2.gz YSDHLTOKCCYLJT-CYBMUJFWSA-N 1 1 401.558 -0.001 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[NH+]3CCSCC3)CC2)cn1C ZINC000493934648 1071585939 /nfs/dbraw/zinc/58/59/39/1071585939.db2.gz YSDHLTOKCCYLJT-ZDUSSCGKSA-N 1 1 401.558 -0.001 20 0 HBADMO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000493945289 1071586591 /nfs/dbraw/zinc/58/65/91/1071586591.db2.gz PQXGFBYACKQYCE-INIZCTEOSA-N 1 1 424.523 -0.145 20 0 HBADMO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000493945290 1071586556 /nfs/dbraw/zinc/58/65/56/1071586556.db2.gz PQXGFBYACKQYCE-MRXNPFEDSA-N 1 1 424.523 -0.145 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961877 1071587188 /nfs/dbraw/zinc/58/71/88/1071587188.db2.gz UXCIBVNZQWPAQF-ARFHVFGLSA-N 1 1 401.529 -0.505 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961878 1071587085 /nfs/dbraw/zinc/58/70/85/1071587085.db2.gz UXCIBVNZQWPAQF-BZUAXINKSA-N 1 1 401.529 -0.505 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961879 1071587154 /nfs/dbraw/zinc/58/71/54/1071587154.db2.gz UXCIBVNZQWPAQF-HRCADAONSA-N 1 1 401.529 -0.505 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000493961880 1071587226 /nfs/dbraw/zinc/58/72/26/1071587226.db2.gz UXCIBVNZQWPAQF-OWCLPIDISA-N 1 1 401.529 -0.505 20 0 HBADMO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493992760 1071587673 /nfs/dbraw/zinc/58/76/73/1071587673.db2.gz QMVMBQHWSXGXAE-HNNXBMFYSA-N 1 1 416.482 -0.863 20 0 HBADMO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493992762 1071587724 /nfs/dbraw/zinc/58/77/24/1071587724.db2.gz QMVMBQHWSXGXAE-OAHLLOKOSA-N 1 1 416.482 -0.863 20 0 HBADMO O=C(CN1CCN(C(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC1)N1CCOCC1 ZINC000494018933 1069718943 /nfs/dbraw/zinc/71/89/43/1069718943.db2.gz RJUYYBPPGMKHKZ-UHFFFAOYSA-N 1 1 403.483 -0.852 20 0 HBADMO O=C(CN1CCN(C(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC1)N1CCOCC1 ZINC000494018933 1069718929 /nfs/dbraw/zinc/71/89/29/1069718929.db2.gz RJUYYBPPGMKHKZ-UHFFFAOYSA-N 1 1 403.483 -0.852 20 0 HBADMO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000494052884 1071589260 /nfs/dbraw/zinc/58/92/60/1071589260.db2.gz YUYZYXLBXULHJC-HNNXBMFYSA-N 1 1 404.467 -0.069 20 0 HBADMO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000494052885 1071589189 /nfs/dbraw/zinc/58/91/89/1071589189.db2.gz YUYZYXLBXULHJC-OAHLLOKOSA-N 1 1 404.467 -0.069 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1OCC(N)=O ZINC000494057380 1071589344 /nfs/dbraw/zinc/58/93/44/1071589344.db2.gz CNMNUIBLYUMQML-AWEZNQCLSA-N 1 1 420.466 -0.322 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1OCC(N)=O ZINC000494057381 1071589138 /nfs/dbraw/zinc/58/91/38/1071589138.db2.gz CNMNUIBLYUMQML-CQSZACIVSA-N 1 1 420.466 -0.322 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000494060943 1071589861 /nfs/dbraw/zinc/58/98/61/1071589861.db2.gz SBEGSPZNLYIUSK-AWEZNQCLSA-N 1 1 410.496 -0.238 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000494060944 1071589805 /nfs/dbraw/zinc/58/98/05/1071589805.db2.gz SBEGSPZNLYIUSK-CQSZACIVSA-N 1 1 410.496 -0.238 20 0 HBADMO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000494068036 1071590350 /nfs/dbraw/zinc/59/03/50/1071590350.db2.gz DNFJUDUTTQIAOK-GFCCVEGCSA-N 1 1 414.459 -0.408 20 0 HBADMO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000494068037 1071590444 /nfs/dbraw/zinc/59/04/44/1071590444.db2.gz DNFJUDUTTQIAOK-LBPRGKRZSA-N 1 1 414.459 -0.408 20 0 HBADMO Cn1c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2n(C)c1=O ZINC000494076903 1071590956 /nfs/dbraw/zinc/59/09/56/1071590956.db2.gz DWTKVOZIYYNFOL-AWEZNQCLSA-N 1 1 401.467 -0.004 20 0 HBADMO Cn1c2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)cc2n(C)c1=O ZINC000494076908 1071590844 /nfs/dbraw/zinc/59/08/44/1071590844.db2.gz DWTKVOZIYYNFOL-CQSZACIVSA-N 1 1 401.467 -0.004 20 0 HBADMO C[C@@H](C(=O)N(C)CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000494168471 1071594630 /nfs/dbraw/zinc/59/46/30/1071594630.db2.gz NHTCMWICJHMBCB-INIZCTEOSA-N 1 1 404.515 -0.085 20 0 HBADMO C[C@H](C(=O)N(C)CC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)n1cccn1 ZINC000494168472 1071594523 /nfs/dbraw/zinc/59/45/23/1071594523.db2.gz NHTCMWICJHMBCB-MRXNPFEDSA-N 1 1 404.515 -0.085 20 0 HBADMO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000494200040 1069678216 /nfs/dbraw/zinc/67/82/16/1069678216.db2.gz AMZYGMZHXBLYHY-CVEARBPZSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000494200040 1069678213 /nfs/dbraw/zinc/67/82/13/1069678213.db2.gz AMZYGMZHXBLYHY-CVEARBPZSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000494200041 1069679068 /nfs/dbraw/zinc/67/90/68/1069679068.db2.gz AMZYGMZHXBLYHY-HOTGVXAUSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)NC[C@H]2CN(C3CC3)CCO2)C1 ZINC000494200041 1069679064 /nfs/dbraw/zinc/67/90/64/1069679064.db2.gz AMZYGMZHXBLYHY-HOTGVXAUSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000494200042 1069678162 /nfs/dbraw/zinc/67/81/62/1069678162.db2.gz AMZYGMZHXBLYHY-HZPDHXFCSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000494200042 1069678161 /nfs/dbraw/zinc/67/81/61/1069678161.db2.gz AMZYGMZHXBLYHY-HZPDHXFCSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000494200043 1069678916 /nfs/dbraw/zinc/67/89/16/1069678916.db2.gz AMZYGMZHXBLYHY-JKSUJKDBSA-N 1 1 405.503 -0.157 20 0 HBADMO C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)NC[C@@H]2CN(C3CC3)CCO2)C1 ZINC000494200043 1069678911 /nfs/dbraw/zinc/67/89/11/1069678911.db2.gz AMZYGMZHXBLYHY-JKSUJKDBSA-N 1 1 405.503 -0.157 20 0 HBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NC[C@H](O)C(F)F)cc2)CC1 ZINC000494211300 1071594494 /nfs/dbraw/zinc/59/44/94/1071594494.db2.gz FMZRGLOXDSXMSP-HNNXBMFYSA-N 1 1 400.426 -0.007 20 0 HBADMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)NC[C@@H](O)C(F)F)cc2)CC1 ZINC000494211301 1071594390 /nfs/dbraw/zinc/59/43/90/1071594390.db2.gz FMZRGLOXDSXMSP-OAHLLOKOSA-N 1 1 400.426 -0.007 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@@H](O)C(F)F ZINC000494231709 1071598081 /nfs/dbraw/zinc/59/80/81/1071598081.db2.gz UXRMQRSYLREXDP-CYBMUJFWSA-N 1 1 414.409 -0.237 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)C(=O)NC[C@H](O)C(F)F ZINC000494231710 1071598112 /nfs/dbraw/zinc/59/81/12/1071598112.db2.gz UXRMQRSYLREXDP-ZDUSSCGKSA-N 1 1 414.409 -0.237 20 0 HBADMO CN1C(=O)C[C@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000494264067 1071599994 /nfs/dbraw/zinc/59/99/94/1071599994.db2.gz DCDSUEISIIVDQY-BLLLJJGKSA-N 1 1 421.404 -0.311 20 0 HBADMO CN1C(=O)C[C@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000494264068 1071600112 /nfs/dbraw/zinc/60/01/12/1071600112.db2.gz DCDSUEISIIVDQY-LRDDRELGSA-N 1 1 421.404 -0.311 20 0 HBADMO CN1C(=O)C[C@@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@H]1c1ccc(F)c(F)c1 ZINC000494264069 1071599943 /nfs/dbraw/zinc/59/99/43/1071599943.db2.gz DCDSUEISIIVDQY-MLGOLLRUSA-N 1 1 421.404 -0.311 20 0 HBADMO CN1C(=O)C[C@@H]([NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)[C@@H]1c1ccc(F)c(F)c1 ZINC000494264070 1071599971 /nfs/dbraw/zinc/59/99/71/1071599971.db2.gz DCDSUEISIIVDQY-WBMJQRKESA-N 1 1 421.404 -0.311 20 0 HBADMO COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCO1 ZINC000494277113 1071599635 /nfs/dbraw/zinc/59/96/35/1071599635.db2.gz OFQGJSYLDXMMJB-HNNXBMFYSA-N 1 1 406.439 -0.084 20 0 HBADMO COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CCO1 ZINC000494277114 1071599683 /nfs/dbraw/zinc/59/96/83/1071599683.db2.gz OFQGJSYLDXMMJB-OAHLLOKOSA-N 1 1 406.439 -0.084 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000494324466 1071603434 /nfs/dbraw/zinc/60/34/34/1071603434.db2.gz BDCIIOLGHCOJDI-INIZCTEOSA-N 1 1 412.512 -0.411 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000494324471 1071603469 /nfs/dbraw/zinc/60/34/69/1071603469.db2.gz BDCIIOLGHCOJDI-MRXNPFEDSA-N 1 1 412.512 -0.411 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000494328840 1071602322 /nfs/dbraw/zinc/60/23/22/1071602322.db2.gz JTIPSSKUILMIRQ-AWEZNQCLSA-N 1 1 405.434 -0.037 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000494328841 1071602381 /nfs/dbraw/zinc/60/23/81/1071602381.db2.gz JTIPSSKUILMIRQ-CQSZACIVSA-N 1 1 405.434 -0.037 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000494354023 1071604028 /nfs/dbraw/zinc/60/40/28/1071604028.db2.gz YWIWAPLIIOBBLR-AWEZNQCLSA-N 1 1 412.512 -0.196 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)CC1 ZINC000494354024 1071604072 /nfs/dbraw/zinc/60/40/72/1071604072.db2.gz YWIWAPLIIOBBLR-CQSZACIVSA-N 1 1 412.512 -0.196 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000494354120 1071604003 /nfs/dbraw/zinc/60/40/03/1071604003.db2.gz ZGCHVLLMOVSCIH-AWEZNQCLSA-N 1 1 412.512 -0.210 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000494354128 1071604149 /nfs/dbraw/zinc/60/41/49/1071604149.db2.gz ZGCHVLLMOVSCIH-CQSZACIVSA-N 1 1 412.512 -0.210 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000494367153 1071604517 /nfs/dbraw/zinc/60/45/17/1071604517.db2.gz IRQMEGSSEUTRQG-INIZCTEOSA-N 1 1 420.466 -0.557 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000494367156 1071604659 /nfs/dbraw/zinc/60/46/59/1071604659.db2.gz IRQMEGSSEUTRQG-MRXNPFEDSA-N 1 1 420.466 -0.557 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000494368047 1071604582 /nfs/dbraw/zinc/60/45/82/1071604582.db2.gz OORVOFLTVHAUNH-HNNXBMFYSA-N 1 1 412.512 -0.210 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000494368050 1071604632 /nfs/dbraw/zinc/60/46/32/1071604632.db2.gz OORVOFLTVHAUNH-OAHLLOKOSA-N 1 1 412.512 -0.210 20 0 HBADMO CCc1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H](CC)CO)CC2)cc1S(N)(=O)=O ZINC000494370240 1071604553 /nfs/dbraw/zinc/60/45/53/1071604553.db2.gz ULKUZQFEZOAUDX-HNNXBMFYSA-N 1 1 412.512 -0.250 20 0 HBADMO CCc1ccc(NC(=O)C(=O)N2CC[NH+]([C@H](CC)CO)CC2)cc1S(N)(=O)=O ZINC000494370245 1071604589 /nfs/dbraw/zinc/60/45/89/1071604589.db2.gz ULKUZQFEZOAUDX-OAHLLOKOSA-N 1 1 412.512 -0.250 20 0 HBADMO COC(=O)C(C)(C)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000494391462 1071608819 /nfs/dbraw/zinc/60/88/19/1071608819.db2.gz HCJMZKWKVLOFGS-UHFFFAOYSA-N 1 1 406.487 -0.607 20 0 HBADMO CC[N@@H+](CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC000494397629 1071606386 /nfs/dbraw/zinc/60/63/86/1071606386.db2.gz NHCFXIVAPUNGLI-UHFFFAOYSA-N 1 1 410.484 -0.328 20 0 HBADMO CC[N@H+](CCNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)CCC(F)(F)F ZINC000494397629 1071606383 /nfs/dbraw/zinc/60/63/83/1071606383.db2.gz NHCFXIVAPUNGLI-UHFFFAOYSA-N 1 1 410.484 -0.328 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC000494400136 1071607041 /nfs/dbraw/zinc/60/70/41/1071607041.db2.gz WPILQPPXUBYHLA-AWEZNQCLSA-N 1 1 408.455 -0.587 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC000494400137 1071606989 /nfs/dbraw/zinc/60/69/89/1071606989.db2.gz WPILQPPXUBYHLA-CQSZACIVSA-N 1 1 408.455 -0.587 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000494404914 1071607643 /nfs/dbraw/zinc/60/76/43/1071607643.db2.gz LGHHCHVYVMXBRC-AWEZNQCLSA-N 1 1 403.443 -0.476 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000494404918 1071607693 /nfs/dbraw/zinc/60/76/93/1071607693.db2.gz LGHHCHVYVMXBRC-CQSZACIVSA-N 1 1 403.443 -0.476 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000494408564 1071607633 /nfs/dbraw/zinc/60/76/33/1071607633.db2.gz XGPZCZVMXYUVFI-CYBMUJFWSA-N 1 1 402.448 -0.673 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000494408566 1071607752 /nfs/dbraw/zinc/60/77/52/1071607752.db2.gz XGPZCZVMXYUVFI-ZDUSSCGKSA-N 1 1 402.448 -0.673 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1 ZINC000494410557 1071607611 /nfs/dbraw/zinc/60/76/11/1071607611.db2.gz GEBMIXVMRDHCKV-HNNXBMFYSA-N 1 1 417.470 -0.167 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)CC1 ZINC000494410558 1071607735 /nfs/dbraw/zinc/60/77/35/1071607735.db2.gz GEBMIXVMRDHCKV-OAHLLOKOSA-N 1 1 417.470 -0.167 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000494412094 1071608319 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UUUXZHGQUZDBMJ-AWEZNQCLSA-N 1 1 414.528 -0.118 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C2(CC2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494454993 1071610625 /nfs/dbraw/zinc/61/06/25/1071610625.db2.gz UNGRHFKMDTWYBG-KRWDZBQOSA-N 1 1 409.508 -0.220 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C2(CC2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494454993 1071610621 /nfs/dbraw/zinc/61/06/21/1071610621.db2.gz UNGRHFKMDTWYBG-KRWDZBQOSA-N 1 1 409.508 -0.220 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C2(CC2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494454994 1071610609 /nfs/dbraw/zinc/61/06/09/1071610609.db2.gz UNGRHFKMDTWYBG-QGZVFWFLSA-N 1 1 409.508 -0.220 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C2(CC2)C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000494454994 1071610603 /nfs/dbraw/zinc/61/06/03/1071610603.db2.gz UNGRHFKMDTWYBG-QGZVFWFLSA-N 1 1 409.508 -0.220 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459939 1071611250 /nfs/dbraw/zinc/61/12/50/1071611250.db2.gz ZEBHHEAQIJUPPK-DLBZAZTESA-N 1 1 405.499 -0.189 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459940 1071611277 /nfs/dbraw/zinc/61/12/77/1071611277.db2.gz ZEBHHEAQIJUPPK-IAGOWNOFSA-N 1 1 405.499 -0.189 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459941 1071611216 /nfs/dbraw/zinc/61/12/16/1071611216.db2.gz ZEBHHEAQIJUPPK-IRXDYDNUSA-N 1 1 405.499 -0.189 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)C1 ZINC000494459942 1071611171 /nfs/dbraw/zinc/61/11/71/1071611171.db2.gz ZEBHHEAQIJUPPK-SJORKVTESA-N 1 1 405.499 -0.189 20 0 HBADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC000494462101 1071611295 /nfs/dbraw/zinc/61/12/95/1071611295.db2.gz AFBWENNYTALGGH-SFHVURJKSA-N 1 1 424.567 -0.341 20 0 HBADMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000494465163 1071611144 /nfs/dbraw/zinc/61/11/44/1071611144.db2.gz MUGCDRCPWFUQNU-KRWDZBQOSA-N 1 1 421.517 -0.093 20 0 HBADMO 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Cn1c(=O)cc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)n(C)c1=O ZINC000497395088 1071790251 /nfs/dbraw/zinc/79/02/51/1071790251.db2.gz XQXHCPBWMAZZPR-UHFFFAOYSA-N 1 1 412.434 -0.128 20 0 HBADMO C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000497431008 1071790867 /nfs/dbraw/zinc/79/08/67/1071790867.db2.gz DBWUHZNBJKZKMF-HNNXBMFYSA-N 1 1 414.528 -0.493 20 0 HBADMO C[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1 ZINC000497431023 1071790837 /nfs/dbraw/zinc/79/08/37/1071790837.db2.gz DBWUHZNBJKZKMF-OAHLLOKOSA-N 1 1 414.528 -0.493 20 0 HBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000497449540 1071792950 /nfs/dbraw/zinc/79/29/50/1071792950.db2.gz UKWSUPLKUAUURC-HDICACEKSA-N 1 1 417.620 -0.126 20 0 HBADMO CCS(=O)(=O)N1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000497462065 1071795882 /nfs/dbraw/zinc/79/58/82/1071795882.db2.gz COXMBIZRCXVLAS-QGZVFWFLSA-N 1 1 419.592 -0.558 20 0 HBADMO CN(CCCNC(=O)C[NH+]1CCC(c2ccnn2CCO)CC1)S(C)(=O)=O 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/nfs/dbraw/zinc/79/64/78/1071796478.db2.gz CNBOPBZVRIKIOM-YOFSQIOKSA-N 1 1 420.602 -0.538 20 0 HBADMO Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cn1 ZINC000497501551 1071797665 /nfs/dbraw/zinc/79/76/65/1071797665.db2.gz CASYDCGTDKIUJO-ZWKOTPCHSA-N 1 1 405.499 -0.139 20 0 HBADMO Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCOCC4)O3)CC2)cn1 ZINC000497501551 1071797649 /nfs/dbraw/zinc/79/76/49/1071797649.db2.gz CASYDCGTDKIUJO-ZWKOTPCHSA-N 1 1 405.499 -0.139 20 0 HBADMO CCn1c(N)c(C(=O)CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=O)[nH]c1=O ZINC000497503064 1071797947 /nfs/dbraw/zinc/79/79/47/1071797947.db2.gz JCYLWVINYLAYIR-YIONKMFJSA-N 1 1 404.515 -0.024 20 0 HBADMO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1F ZINC000497534500 1071801193 /nfs/dbraw/zinc/80/11/93/1071801193.db2.gz GCTCLRZNPBTCHD-UHFFFAOYSA-N 1 1 416.475 -0.147 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)ccc1F ZINC000497545627 1071801791 /nfs/dbraw/zinc/80/17/91/1071801791.db2.gz JBNFJHOPSNJYIB-UHFFFAOYSA-N 1 1 402.448 -0.489 20 0 HBADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000497601913 1071807315 /nfs/dbraw/zinc/80/73/15/1071807315.db2.gz WDCFSTALKWQFEX-HNNXBMFYSA-N 1 1 414.528 -0.181 20 0 HBADMO COCCNS(=O)(=O)c1cccc(CNC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000497601914 1071807221 /nfs/dbraw/zinc/80/72/21/1071807221.db2.gz WDCFSTALKWQFEX-OAHLLOKOSA-N 1 1 414.528 -0.181 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000497624145 1071807838 /nfs/dbraw/zinc/80/78/38/1071807838.db2.gz VLBHEAQTVTVKQA-KRWDZBQOSA-N 1 1 419.592 -0.246 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000497624146 1071808335 /nfs/dbraw/zinc/80/83/35/1071808335.db2.gz VLBHEAQTVTVKQA-QGZVFWFLSA-N 1 1 419.592 -0.246 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000497630247 1069117720 /nfs/dbraw/zinc/11/77/20/1069117720.db2.gz WAALXUKQUJCDQI-UHFFFAOYSA-N 1 1 407.606 -0.356 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000497641529 1071810756 /nfs/dbraw/zinc/81/07/56/1071810756.db2.gz FFQZCLSTZXZJLN-UHFFFAOYSA-N 1 1 422.574 -0.218 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000497646578 1069556691 /nfs/dbraw/zinc/55/66/91/1069556691.db2.gz ZNHLATOQAVBOKL-UHFFFAOYSA-N 1 1 403.443 -0.291 20 0 HBADMO C[C@@H](CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000497656252 1071812111 /nfs/dbraw/zinc/81/21/11/1071812111.db2.gz LOJHYYIXPWKIIJ-HNNXBMFYSA-N 1 1 401.467 -0.118 20 0 HBADMO C[C@H](CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)[NH+]1CCN(c2ccccc2)CC1 ZINC000497656253 1071811874 /nfs/dbraw/zinc/81/18/74/1071811874.db2.gz LOJHYYIXPWKIIJ-OAHLLOKOSA-N 1 1 401.467 -0.118 20 0 HBADMO C[N@H+]1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@@H]2C1 ZINC000497658033 1071812123 /nfs/dbraw/zinc/81/21/23/1071812123.db2.gz VANODMGHPUCHRY-DOTOQJQBSA-N 1 1 415.560 -0.237 20 0 HBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@@H]2C1 ZINC000497658034 1071812052 /nfs/dbraw/zinc/81/20/52/1071812052.db2.gz VANODMGHPUCHRY-NVXWUHKLSA-N 1 1 415.560 -0.237 20 0 HBADMO C[N@H+]1CC[C@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC000497658035 1071811923 /nfs/dbraw/zinc/81/19/23/1071811923.db2.gz VANODMGHPUCHRY-RDJZCZTQSA-N 1 1 415.560 -0.237 20 0 HBADMO C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CCN(S(=O)(=O)N4CCOCC4)CC3)[C@H]2C1 ZINC000497658036 1071812022 /nfs/dbraw/zinc/81/20/22/1071812022.db2.gz VANODMGHPUCHRY-WBVHZDCISA-N 1 1 415.560 -0.237 20 0 HBADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000497663426 1071812633 /nfs/dbraw/zinc/81/26/33/1071812633.db2.gz BVMZBPHQFVEUOH-UHFFFAOYSA-N 1 1 415.494 -0.121 20 0 HBADMO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1cn(CCO)c(=O)[nH]c1=O ZINC000497664419 1071812559 /nfs/dbraw/zinc/81/25/59/1071812559.db2.gz LFFLYSVZNDXLCE-UHFFFAOYSA-N 1 1 405.430 -0.368 20 0 HBADMO 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ZINC000498597585 1071939307 /nfs/dbraw/zinc/93/93/07/1071939307.db2.gz JTTDWPXYBDVINO-UHFFFAOYSA-N 1 1 402.542 -0.266 20 0 HBADMO C[C@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)CN1CC[NH+](C)CC1 ZINC000498630688 1071942623 /nfs/dbraw/zinc/94/26/23/1071942623.db2.gz NSKLHOJKHHMTHH-LLVKDONJSA-N 1 1 402.293 -0.289 20 0 HBADMO C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[nH]c1=O)CN1CC[NH+](C)CC1 ZINC000498630692 1071942542 /nfs/dbraw/zinc/94/25/42/1071942542.db2.gz NSKLHOJKHHMTHH-NSHDSACASA-N 1 1 402.293 -0.289 20 0 HBADMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 ZINC000498654321 1071945537 /nfs/dbraw/zinc/94/55/37/1071945537.db2.gz DRWRUSJWMTTXEW-UHFFFAOYSA-N 1 1 404.464 -0.291 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCOC)ccc1F ZINC000498670150 1071949546 /nfs/dbraw/zinc/94/95/46/1071949546.db2.gz XGQGRLGHYFUOHR-CYBMUJFWSA-N 1 1 416.475 -0.101 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCOC)ccc1F ZINC000498670152 1071949376 /nfs/dbraw/zinc/94/93/76/1071949376.db2.gz XGQGRLGHYFUOHR-ZDUSSCGKSA-N 1 1 416.475 -0.101 20 0 HBADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498670259 1071949533 /nfs/dbraw/zinc/94/95/33/1071949533.db2.gz IQPUAOAGOXYVJJ-CVEARBPZSA-N 1 1 418.494 -0.284 20 0 HBADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000498670260 1071949434 /nfs/dbraw/zinc/94/94/34/1071949434.db2.gz IQPUAOAGOXYVJJ-HOTGVXAUSA-N 1 1 418.494 -0.284 20 0 HBADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498670261 1071949510 /nfs/dbraw/zinc/94/95/10/1071949510.db2.gz IQPUAOAGOXYVJJ-HZPDHXFCSA-N 1 1 418.494 -0.284 20 0 HBADMO COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000498670262 1071949476 /nfs/dbraw/zinc/94/94/76/1071949476.db2.gz IQPUAOAGOXYVJJ-JKSUJKDBSA-N 1 1 418.494 -0.284 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@H]4C3)cc2)CC1 ZINC000498673178 1071950077 /nfs/dbraw/zinc/95/00/77/1071950077.db2.gz PMBQAJSIRVGWHL-KRWDZBQOSA-N 1 1 413.478 -0.154 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN4C(=O)CC[C@@H]4C3)cc2)CC1 ZINC000498673180 1071949937 /nfs/dbraw/zinc/94/99/37/1071949937.db2.gz PMBQAJSIRVGWHL-QGZVFWFLSA-N 1 1 413.478 -0.154 20 0 HBADMO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000498691827 1071954954 /nfs/dbraw/zinc/95/49/54/1071954954.db2.gz GAYMHMQIBAJNTH-INIZCTEOSA-N 1 1 418.494 -0.449 20 0 HBADMO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000498691828 1071954920 /nfs/dbraw/zinc/95/49/20/1071954920.db2.gz GAYMHMQIBAJNTH-MRXNPFEDSA-N 1 1 418.494 -0.449 20 0 HBADMO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000498698938 1071957427 /nfs/dbraw/zinc/95/74/27/1071957427.db2.gz RYDWRZFQIFVCAU-CYBMUJFWSA-N 1 1 405.455 -0.823 20 0 HBADMO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000498698944 1071958113 /nfs/dbraw/zinc/95/81/13/1071958113.db2.gz RYDWRZFQIFVCAU-ZDUSSCGKSA-N 1 1 405.455 -0.823 20 0 HBADMO CC[N@@H+](C)CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498754077 1071965892 /nfs/dbraw/zinc/96/58/92/1071965892.db2.gz SFEAGJFMKMOUFL-HNNXBMFYSA-N 1 1 405.542 -0.164 20 0 HBADMO CC[N@H+](C)CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498754077 1071965889 /nfs/dbraw/zinc/96/58/89/1071965889.db2.gz SFEAGJFMKMOUFL-HNNXBMFYSA-N 1 1 405.542 -0.164 20 0 HBADMO CC[N@@H+](C)CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498754085 1071965699 /nfs/dbraw/zinc/96/56/99/1071965699.db2.gz SFEAGJFMKMOUFL-OAHLLOKOSA-N 1 1 405.542 -0.164 20 0 HBADMO CC[N@H+](C)CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC000498754085 1071965691 /nfs/dbraw/zinc/96/56/91/1071965691.db2.gz SFEAGJFMKMOUFL-OAHLLOKOSA-N 1 1 405.542 -0.164 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)ccc1F ZINC000498754322 1071966262 /nfs/dbraw/zinc/96/62/62/1071966262.db2.gz RCPPYNWKGSKDEM-GFCCVEGCSA-N 1 1 402.448 -0.491 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCOC)C2)ccc1F ZINC000498754323 1071966397 /nfs/dbraw/zinc/96/63/97/1071966397.db2.gz RCPPYNWKGSKDEM-LBPRGKRZSA-N 1 1 402.448 -0.491 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000498754694 1071966377 /nfs/dbraw/zinc/96/63/77/1071966377.db2.gz UBVXUOAETSBHQD-CYBMUJFWSA-N 1 1 416.475 -0.149 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)C1 ZINC000498754695 1071966313 /nfs/dbraw/zinc/96/63/13/1071966313.db2.gz UBVXUOAETSBHQD-ZDUSSCGKSA-N 1 1 416.475 -0.149 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)ccc1F ZINC000498762805 1071967969 /nfs/dbraw/zinc/96/79/69/1071967969.db2.gz AORZDMGVQFIQSG-UHFFFAOYSA-N 1 1 404.489 -0.163 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1F ZINC000498763992 1071967962 /nfs/dbraw/zinc/96/79/62/1071967962.db2.gz NUMUKWKRXZYFEO-GFCCVEGCSA-N 1 1 416.475 -0.243 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1F ZINC000498763993 1071968353 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CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000498999723 1072007613 /nfs/dbraw/zinc/00/76/13/1072007613.db2.gz MSXNYLFJVPLPCO-CYBMUJFWSA-N 1 1 416.475 -0.413 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000498999725 1072007740 /nfs/dbraw/zinc/00/77/40/1072007740.db2.gz MSXNYLFJVPLPCO-ZDUSSCGKSA-N 1 1 416.475 -0.413 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1 ZINC000499007780 1072008465 /nfs/dbraw/zinc/00/84/65/1072008465.db2.gz XYJZBPXDQXAZFT-AWEZNQCLSA-N 1 1 413.496 -0.048 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cc(OC)cc(S(C)(=O)=O)c2)CC1 ZINC000499007783 1072008615 /nfs/dbraw/zinc/00/86/15/1072008615.db2.gz XYJZBPXDQXAZFT-CQSZACIVSA-N 1 1 413.496 -0.048 20 0 HBADMO COc1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc(S(C)(=O)=O)c1 ZINC000499015378 1072008646 /nfs/dbraw/zinc/00/86/46/1072008646.db2.gz GBBPGRINYMDUBD-UHFFFAOYSA-N 1 1 413.496 -0.048 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1F ZINC000499015982 1072009250 /nfs/dbraw/zinc/00/92/50/1072009250.db2.gz IWGWZAOROCBSQF-UHFFFAOYSA-N 1 1 416.475 -0.413 20 0 HBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000499017707 1072009182 /nfs/dbraw/zinc/00/91/82/1072009182.db2.gz ZKGSBSGDBWAHMT-UHFFFAOYSA-N 1 1 420.539 -0.016 20 0 HBADMO COCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000499024262 1072010017 /nfs/dbraw/zinc/01/00/17/1072010017.db2.gz MXFQTKJGNJQIBD-UHFFFAOYSA-N 1 1 406.483 -0.084 20 0 HBADMO Cc1[nH+]ccn1CCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000499047473 1072012114 /nfs/dbraw/zinc/01/21/14/1072012114.db2.gz GKBSEXBSIFXHPP-UHFFFAOYSA-N 1 1 413.525 -0.155 20 0 HBADMO Cc1c(NC(=O)C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)n(C)nc1C(F)(F)F ZINC000499059094 1072013438 /nfs/dbraw/zinc/01/34/38/1072013438.db2.gz VHRVXVQGBJXAGM-HNNXBMFYSA-N 1 1 407.393 -0.115 20 0 HBADMO Cc1c(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)n(C)nc1C(F)(F)F 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CC[C@H](C)[C@H]1C[N@H+](CCCS(=O)(=O)NC)CCN1CCCS(=O)(=O)NC ZINC000510379835 1068477049 /nfs/dbraw/zinc/47/70/49/1068477049.db2.gz SRCMHOHCQSZEGJ-JKSUJKDBSA-N 1 1 412.622 -0.103 20 0 HBADMO CC[C@H](C)[C@H]1CN(CCCS(=O)(=O)NC)CC[N@H+]1CCCS(=O)(=O)NC ZINC000510379835 1068477043 /nfs/dbraw/zinc/47/70/43/1068477043.db2.gz SRCMHOHCQSZEGJ-JKSUJKDBSA-N 1 1 412.622 -0.103 20 0 HBADMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000510381039 1068476837 /nfs/dbraw/zinc/47/68/37/1068476837.db2.gz SHYUUWZVSCNYPF-AWEZNQCLSA-N 1 1 411.480 -0.643 20 0 HBADMO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000510384494 1068478254 /nfs/dbraw/zinc/47/82/54/1068478254.db2.gz MODFXQXNSUMZMX-AWEZNQCLSA-N 1 1 410.496 -0.475 20 0 HBADMO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000510384495 1068478489 /nfs/dbraw/zinc/47/84/89/1068478489.db2.gz MODFXQXNSUMZMX-CQSZACIVSA-N 1 1 410.496 -0.475 20 0 HBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000510387833 1068478991 /nfs/dbraw/zinc/47/89/91/1068478991.db2.gz DJKVEKPYJPKGBE-AWEZNQCLSA-N 1 1 413.496 -0.397 20 0 HBADMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000510387834 1068478925 /nfs/dbraw/zinc/47/89/25/1068478925.db2.gz DJKVEKPYJPKGBE-CQSZACIVSA-N 1 1 413.496 -0.397 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408547 1068485620 /nfs/dbraw/zinc/48/56/20/1068485620.db2.gz WVSXZMMHQYULBI-GDBMZVCRSA-N 1 1 424.523 -0.086 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408548 1068485861 /nfs/dbraw/zinc/48/58/61/1068485861.db2.gz WVSXZMMHQYULBI-GOEBONIOSA-N 1 1 424.523 -0.086 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408549 1068485640 /nfs/dbraw/zinc/48/56/40/1068485640.db2.gz WVSXZMMHQYULBI-HOCLYGCPSA-N 1 1 424.523 -0.086 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510408550 1068485663 /nfs/dbraw/zinc/48/56/63/1068485663.db2.gz WVSXZMMHQYULBI-ZBFHGGJFSA-N 1 1 424.523 -0.086 20 0 HBADMO COCCN(C(=O)C[N@H+]1CC[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000510409922 1068485535 /nfs/dbraw/zinc/48/55/35/1068485535.db2.gz AIMYGLGBZDTJFJ-HNNXBMFYSA-N 1 1 417.466 -0.375 20 0 HBADMO COCCN(C(=O)C[N@@H+]1CC[C@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000510409922 1068485528 /nfs/dbraw/zinc/48/55/28/1068485528.db2.gz AIMYGLGBZDTJFJ-HNNXBMFYSA-N 1 1 417.466 -0.375 20 0 HBADMO C[NH+]1CCN(c2ncc(CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cn2)CC1 ZINC000510426278 1068489511 /nfs/dbraw/zinc/48/95/11/1068489511.db2.gz BYJRZLWADVRNES-UHFFFAOYSA-N 1 1 415.498 -0.978 20 0 HBADMO CCS(=O)(=O)N1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000510476526 1068534710 /nfs/dbraw/zinc/53/47/10/1068534710.db2.gz VZMPLORTIVZRMT-MQVJKMGUSA-N 1 1 415.560 -0.253 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478496 1068535425 /nfs/dbraw/zinc/53/54/25/1068535425.db2.gz NBOBDKHYTDHBTH-ARFHVFGLSA-N 1 1 400.545 -0.283 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478497 1068535298 /nfs/dbraw/zinc/53/52/98/1068535298.db2.gz NBOBDKHYTDHBTH-BZUAXINKSA-N 1 1 400.545 -0.283 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478498 1068535399 /nfs/dbraw/zinc/53/53/99/1068535399.db2.gz NBOBDKHYTDHBTH-HRCADAONSA-N 1 1 400.545 -0.283 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1=O ZINC000510478499 1068535077 /nfs/dbraw/zinc/53/50/77/1068535077.db2.gz NBOBDKHYTDHBTH-OWCLPIDISA-N 1 1 400.545 -0.283 20 0 HBADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000510482172 1068535328 /nfs/dbraw/zinc/53/53/28/1068535328.db2.gz OACOVJHFETVLLV-UYTSQGDYSA-N 1 1 415.560 -0.207 20 0 HBADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000510482173 1068535174 /nfs/dbraw/zinc/53/51/74/1068535174.db2.gz OACOVJHFETVLLV-WTXIUTQJSA-N 1 1 415.560 -0.207 20 0 HBADMO COCCN1CCCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1=O ZINC000510482993 1068535926 /nfs/dbraw/zinc/53/59/26/1068535926.db2.gz RTERIJVRYTYSGD-ALOPSCKCSA-N 1 1 409.531 -0.040 20 0 HBADMO C[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCN1S(C)(=O)=O ZINC000510492319 1068541300 /nfs/dbraw/zinc/54/13/00/1068541300.db2.gz QKESMNQAKYRAKX-HNSVSWJLSA-N 1 1 415.560 -0.255 20 0 HBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000510629297 1068555429 /nfs/dbraw/zinc/55/54/29/1068555429.db2.gz PGIGKLXPLPXMHR-DZGCQCFKSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000510629297 1068555419 /nfs/dbraw/zinc/55/54/19/1068555419.db2.gz PGIGKLXPLPXMHR-DZGCQCFKSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000510629299 1068555551 /nfs/dbraw/zinc/55/55/51/1068555551.db2.gz PGIGKLXPLPXMHR-HIFRSBDPSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000510629299 1068555538 /nfs/dbraw/zinc/55/55/38/1068555538.db2.gz PGIGKLXPLPXMHR-HIFRSBDPSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000510629300 1068555620 /nfs/dbraw/zinc/55/56/20/1068555620.db2.gz PGIGKLXPLPXMHR-UKRRQHHQSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000510629300 1068555608 /nfs/dbraw/zinc/55/56/08/1068555608.db2.gz PGIGKLXPLPXMHR-UKRRQHHQSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000510629302 1068555697 /nfs/dbraw/zinc/55/56/97/1068555697.db2.gz PGIGKLXPLPXMHR-ZFWWWQNUSA-N 1 1 404.467 -0.253 20 0 HBADMO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000510629302 1068555690 /nfs/dbraw/zinc/55/56/90/1068555690.db2.gz PGIGKLXPLPXMHR-ZFWWWQNUSA-N 1 1 404.467 -0.253 20 0 HBADMO Cn1c2[nH]c(CCC(=O)NCC3CCN(CC[NH+](C)C)CC3)nc2c(=O)[nH]c1=O ZINC000510630155 1068555761 /nfs/dbraw/zinc/55/57/61/1068555761.db2.gz RWXCACJQPZICIQ-UHFFFAOYSA-N 1 1 405.503 -0.315 20 0 HBADMO C[N@@H+](CCN1CCOCC1)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510659363 1068558092 /nfs/dbraw/zinc/55/80/92/1068558092.db2.gz PTAQRYKVRQHRPW-UHFFFAOYSA-N 1 1 424.567 -0.075 20 0 HBADMO C[N@H+](CCN1CCOCC1)CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000510659363 1068558082 /nfs/dbraw/zinc/55/80/82/1068558082.db2.gz PTAQRYKVRQHRPW-UHFFFAOYSA-N 1 1 424.567 -0.075 20 0 HBADMO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](C)CCN2CCOCC2)c(=O)[nH]c1=O ZINC000510672306 1068558681 /nfs/dbraw/zinc/55/86/81/1068558681.db2.gz VSCKNYJNYYGIOD-UHFFFAOYSA-N 1 1 410.519 -0.052 20 0 HBADMO CCCCn1c(N)c(N(CC)C(=O)C[N@H+](C)CCN2CCOCC2)c(=O)[nH]c1=O ZINC000510672306 1068558668 /nfs/dbraw/zinc/55/86/68/1068558668.db2.gz VSCKNYJNYYGIOD-UHFFFAOYSA-N 1 1 410.519 -0.052 20 0 HBADMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000510675480 1068559302 /nfs/dbraw/zinc/55/93/02/1068559302.db2.gz QLCBGGTWEWBMER-UHFFFAOYSA-N 1 1 408.546 -0.145 20 0 HBADMO Cn1c2ncn(CC[N@@H+](C)C[C@H](O)COCc3ccccc3)c2c(=O)n(C)c1=O ZINC000510682702 1068560062 /nfs/dbraw/zinc/56/00/62/1068560062.db2.gz NVUYWEMIPAGEHX-INIZCTEOSA-N 1 1 401.467 -0.057 20 0 HBADMO Cn1c2ncn(CC[N@@H+](C)C[C@@H](O)COCc3ccccc3)c2c(=O)n(C)c1=O ZINC000510682704 1068559892 /nfs/dbraw/zinc/55/98/92/1068559892.db2.gz NVUYWEMIPAGEHX-MRXNPFEDSA-N 1 1 401.467 -0.057 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000510719571 1068563486 /nfs/dbraw/zinc/56/34/86/1068563486.db2.gz PUUVXYQDGCOSPG-IBGZPJMESA-N 1 1 409.575 -0.301 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(CC(=O)N3CCCC3)CC2)C1 ZINC000510719572 1068563379 /nfs/dbraw/zinc/56/33/79/1068563379.db2.gz PUUVXYQDGCOSPG-LJQANCHMSA-N 1 1 409.575 -0.301 20 0 HBADMO CCCn1c(N)c(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510751972 1068568059 /nfs/dbraw/zinc/56/80/59/1068568059.db2.gz WSOTUFLVQDASSH-GHMZBOCLSA-N 1 1 401.489 -0.426 20 0 HBADMO CCCn1c(N)c(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510751985 1068568106 /nfs/dbraw/zinc/56/81/06/1068568106.db2.gz WSOTUFLVQDASSH-MNOVXSKESA-N 1 1 401.489 -0.426 20 0 HBADMO CCCn1c(N)c(C(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510751986 1068567935 /nfs/dbraw/zinc/56/79/35/1068567935.db2.gz WSOTUFLVQDASSH-QWRGUYRKSA-N 1 1 401.489 -0.426 20 0 HBADMO CCCn1c(N)c(C(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510751987 1068568138 /nfs/dbraw/zinc/56/81/38/1068568138.db2.gz WSOTUFLVQDASSH-WDEREUQCSA-N 1 1 401.489 -0.426 20 0 HBADMO CNC(=O)CCC[N@@H+](C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000510754349 1068567997 /nfs/dbraw/zinc/56/79/97/1068567997.db2.gz PQAGYAGEDOIOEF-UHFFFAOYSA-N 1 1 401.467 -0.182 20 0 HBADMO CNC(=O)CCC[N@H+](C)CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O ZINC000510754349 1068567989 /nfs/dbraw/zinc/56/79/89/1068567989.db2.gz PQAGYAGEDOIOEF-UHFFFAOYSA-N 1 1 401.467 -0.182 20 0 HBADMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000510763361 1068568701 /nfs/dbraw/zinc/56/87/01/1068568701.db2.gz BLFFWNYXFCDPGB-GOSISDBHSA-N 1 1 418.494 -0.045 20 0 HBADMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000510763371 1068568593 /nfs/dbraw/zinc/56/85/93/1068568593.db2.gz BLFFWNYXFCDPGB-SFHVURJKSA-N 1 1 418.494 -0.045 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510779951 1068570462 /nfs/dbraw/zinc/57/04/62/1068570462.db2.gz MIBRDASPLGJJFK-NEPJUHHUSA-N 1 1 415.516 -0.180 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H]2CCCC[C@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510779966 1068570833 /nfs/dbraw/zinc/57/08/33/1068570833.db2.gz MIBRDASPLGJJFK-NWDGAFQWSA-N 1 1 415.516 -0.180 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510779967 1068570653 /nfs/dbraw/zinc/57/06/53/1068570653.db2.gz MIBRDASPLGJJFK-RYUDHWBXSA-N 1 1 415.516 -0.180 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(=O)[nH]c1=O ZINC000510779968 1068570768 /nfs/dbraw/zinc/57/07/68/1068570768.db2.gz MIBRDASPLGJJFK-VXGBXAGGSA-N 1 1 415.516 -0.180 20 0 HBADMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000510785689 1068571465 /nfs/dbraw/zinc/57/14/65/1068571465.db2.gz XJEWMINWVLGFNB-UHFFFAOYSA-N 1 1 415.516 -0.418 20 0 HBADMO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)C1 ZINC000510798857 1068572078 /nfs/dbraw/zinc/57/20/78/1068572078.db2.gz QJIFINUYPXXANK-BRWVUGGUSA-N 1 1 404.577 -0.091 20 0 HBADMO CC(C)CN1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2NS(C)(=O)=O)C1 ZINC000510798862 1068572109 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411.547 -0.328 20 0 HBADMO CCNC(=O)CN1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000510925407 1068584410 /nfs/dbraw/zinc/58/44/10/1068584410.db2.gz RDMUOXVADBFXLX-ALOPSCKCSA-N 1 1 408.547 -0.467 20 0 HBADMO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000510929779 1068585591 /nfs/dbraw/zinc/58/55/91/1068585591.db2.gz NLBMHTHKSKZXQO-UYTSQGDYSA-N 1 1 415.560 -0.207 20 0 HBADMO CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000510929782 1068585767 /nfs/dbraw/zinc/58/57/67/1068585767.db2.gz NLBMHTHKSKZXQO-WTXIUTQJSA-N 1 1 415.560 -0.207 20 0 HBADMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000510933464 1068587547 /nfs/dbraw/zinc/58/75/47/1068587547.db2.gz DHLULLOUYWCCLE-INIZCTEOSA-N 1 1 401.471 -0.088 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nnc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000510933477 1068587615 /nfs/dbraw/zinc/58/76/15/1068587615.db2.gz DHLULLOUYWCCLE-MRXNPFEDSA-N 1 1 401.471 -0.088 20 0 HBADMO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1nncn1C ZINC000510938511 1069717622 /nfs/dbraw/zinc/71/76/22/1069717622.db2.gz VQDDRBVXWHKIKW-GOSISDBHSA-N 1 1 407.519 -0.895 20 0 HBADMO CC(C)[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1nncn1C ZINC000510938512 1069717429 /nfs/dbraw/zinc/71/74/29/1069717429.db2.gz VQDDRBVXWHKIKW-SFHVURJKSA-N 1 1 407.519 -0.895 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](CCO)CC2CC2)CC1 ZINC000510963260 1068591094 /nfs/dbraw/zinc/59/10/94/1068591094.db2.gz ADKGFDATGOVKGA-UHFFFAOYSA-N 1 1 400.501 -0.171 20 0 HBADMO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000511000055 1068617758 /nfs/dbraw/zinc/61/77/58/1068617758.db2.gz ICPBQIKWNRCQBC-NXEZZACHSA-N 1 1 409.468 -0.764 20 0 HBADMO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000511000061 1068617832 /nfs/dbraw/zinc/61/78/32/1068617832.db2.gz ICPBQIKWNRCQBC-UWVGGRQHSA-N 1 1 409.468 -0.764 20 0 HBADMO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000511000064 1068618527 /nfs/dbraw/zinc/61/85/27/1068618527.db2.gz ICPBQIKWNRCQBC-VHSXEESVSA-N 1 1 409.468 -0.764 20 0 HBADMO C[C@@H]([NH2+][C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000511000066 1068618422 /nfs/dbraw/zinc/61/84/22/1068618422.db2.gz ICPBQIKWNRCQBC-ZJUUUORDSA-N 1 1 409.468 -0.764 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000511021564 1068628686 /nfs/dbraw/zinc/62/86/86/1068628686.db2.gz DNRSZARRHFLLDU-UHFFFAOYSA-N 1 1 402.499 -0.220 20 0 HBADMO COc1c(F)cc(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000511021626 1068628508 /nfs/dbraw/zinc/62/85/08/1068628508.db2.gz FKQBGKKMQLZPPP-UHFFFAOYSA-N 1 1 416.475 -0.696 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000511021752 1068630655 /nfs/dbraw/zinc/63/06/55/1068630655.db2.gz GYNZEXOWFHIUTJ-IBGZPJMESA-N 1 1 409.575 -0.443 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000511021753 1068630736 /nfs/dbraw/zinc/63/07/36/1068630736.db2.gz GYNZEXOWFHIUTJ-LJQANCHMSA-N 1 1 409.575 -0.443 20 0 HBADMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000511022595 1068629396 /nfs/dbraw/zinc/62/93/96/1068629396.db2.gz RFMSQMUVOUJWRI-AWEZNQCLSA-N 1 1 412.512 -0.358 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000511023152 1068632044 /nfs/dbraw/zinc/63/20/44/1068632044.db2.gz YVQFNQVAQZPAQH-UHFFFAOYSA-N 1 1 424.523 -0.399 20 0 HBADMO Cc1nc(S(=O)(=O)NCCC(=O)NCC2CCN(CC[NH+](C)C)CC2)cn1C ZINC000511023575 1068632151 /nfs/dbraw/zinc/63/21/51/1068632151.db2.gz DIXYOPIFAIWUCW-UHFFFAOYSA-N 1 1 414.576 -0.213 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000511024135 1068632064 /nfs/dbraw/zinc/63/20/64/1068632064.db2.gz FGWUOIYPKGVLCX-UHFFFAOYSA-N 1 1 408.933 -0.040 20 0 HBADMO CCCn1c(=O)[nH]c(=O)c2cc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)cnc21 ZINC000511026800 1068632653 /nfs/dbraw/zinc/63/26/53/1068632653.db2.gz HAQBMAUIUDTJGP-UHFFFAOYSA-N 1 1 402.455 -0.199 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NCC2CCN(CC[NH+](C)C)CC2)cn1C ZINC000511027255 1068632453 /nfs/dbraw/zinc/63/24/53/1068632453.db2.gz KJEJVAXBJZGBQO-UHFFFAOYSA-N 1 1 400.549 -0.603 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)CCNS(=O)(=O)c2ccccc2F)CC1 ZINC000511033290 1068636081 /nfs/dbraw/zinc/63/60/81/1068636081.db2.gz SKQXSEFBAJNBDU-UHFFFAOYSA-N 1 1 400.476 -0.226 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034031 1068635294 /nfs/dbraw/zinc/63/52/94/1068635294.db2.gz ZKWJATNNHJRHKX-DLBZAZTESA-N 1 1 414.572 -0.588 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034032 1068635441 /nfs/dbraw/zinc/63/54/41/1068635441.db2.gz ZKWJATNNHJRHKX-IAGOWNOFSA-N 1 1 414.572 -0.588 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034033 1068636052 /nfs/dbraw/zinc/63/60/52/1068636052.db2.gz ZKWJATNNHJRHKX-IRXDYDNUSA-N 1 1 414.572 -0.588 20 0 HBADMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000511034034 1068636009 /nfs/dbraw/zinc/63/60/09/1068636009.db2.gz ZKWJATNNHJRHKX-SJORKVTESA-N 1 1 414.572 -0.588 20 0 HBADMO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000511039357 1068638362 /nfs/dbraw/zinc/63/83/62/1068638362.db2.gz BVUVDBPWVIIZMB-INIZCTEOSA-N 1 1 400.487 -0.445 20 0 HBADMO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000511039358 1068638301 /nfs/dbraw/zinc/63/83/01/1068638301.db2.gz BVUVDBPWVIIZMB-MRXNPFEDSA-N 1 1 400.487 -0.445 20 0 HBADMO Cn1c(=O)c2cc(C(=O)NCC3CCN(CC[NH+](C)C)CC3)cnc2n(C)c1=O ZINC000511039885 1068638395 /nfs/dbraw/zinc/63/83/95/1068638395.db2.gz IVINGYSGSMIUSC-UHFFFAOYSA-N 1 1 402.499 -0.364 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)CC1 ZINC000511040158 1068638922 /nfs/dbraw/zinc/63/89/22/1068638922.db2.gz MFJHTOXRWZJWMH-UHFFFAOYSA-N 1 1 411.462 -0.096 20 0 HBADMO Cn1c2ncn(CCC(=O)NCC3CCN(CC[NH+](C)C)CC3)c2c(=O)n(C)c1=O ZINC000511040987 1068638803 /nfs/dbraw/zinc/63/88/03/1068638803.db2.gz UTGYCFBXNQHIOP-UHFFFAOYSA-N 1 1 419.530 -0.786 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000511041254 1068638994 /nfs/dbraw/zinc/63/89/94/1068638994.db2.gz AONVJRWZHBCTRL-UHFFFAOYSA-N 1 1 400.476 -0.226 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000511042537 1068639572 /nfs/dbraw/zinc/63/95/72/1068639572.db2.gz DBEMEBSPPUVUQO-UHFFFAOYSA-N 1 1 423.539 -0.237 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000511050172 1068643428 /nfs/dbraw/zinc/64/34/28/1068643428.db2.gz VVSYORFGIANLQN-UHFFFAOYSA-N 1 1 418.466 -0.087 20 0 HBADMO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1)N1CC[NH+](C)CC1 ZINC000511051754 1068644032 /nfs/dbraw/zinc/64/40/32/1068644032.db2.gz WVPDMPZRDQIEPC-KRWDZBQOSA-N 1 1 401.577 -0.113 20 0 HBADMO 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HBADMO CCc1c(C(=O)NCCC[NH+]2CCN(C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513805334 1069702317 /nfs/dbraw/zinc/70/23/17/1069702317.db2.gz PAHOJXQHKPPHCB-UHFFFAOYSA-N 1 1 402.499 -0.438 20 0 HBADMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513819835 1069765278 /nfs/dbraw/zinc/76/52/78/1069765278.db2.gz FAILOADYLLCEGU-GOSISDBHSA-N 1 1 423.558 -0.774 20 0 HBADMO CC(C)C(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513819835 1069765268 /nfs/dbraw/zinc/76/52/68/1069765268.db2.gz FAILOADYLLCEGU-GOSISDBHSA-N 1 1 423.558 -0.774 20 0 HBADMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513819836 1069765167 /nfs/dbraw/zinc/76/51/67/1069765167.db2.gz FAILOADYLLCEGU-SFHVURJKSA-N 1 1 423.558 -0.774 20 0 HBADMO CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513819836 1069765157 /nfs/dbraw/zinc/76/51/57/1069765157.db2.gz FAILOADYLLCEGU-SFHVURJKSA-N 1 1 423.558 -0.774 20 0 HBADMO NC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000513879627 1069770511 /nfs/dbraw/zinc/77/05/11/1069770511.db2.gz HNGPJLZKKGZSGO-INIZCTEOSA-N 1 1 417.466 -0.238 20 0 HBADMO NC(=O)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000513879628 1069770306 /nfs/dbraw/zinc/77/03/06/1069770306.db2.gz HNGPJLZKKGZSGO-MRXNPFEDSA-N 1 1 417.466 -0.238 20 0 HBADMO CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000513927984 1069775631 /nfs/dbraw/zinc/77/56/31/1069775631.db2.gz OKYYDJPWZPWIGJ-CVEARBPZSA-N 1 1 408.499 -0.304 20 0 HBADMO CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000513927985 1069775551 /nfs/dbraw/zinc/77/55/51/1069775551.db2.gz OKYYDJPWZPWIGJ-HOTGVXAUSA-N 1 1 408.499 -0.304 20 0 HBADMO CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CC(=O)N(C)C1=O ZINC000513927986 1069775509 /nfs/dbraw/zinc/77/55/09/1069775509.db2.gz OKYYDJPWZPWIGJ-HZPDHXFCSA-N 1 1 408.499 -0.304 20 0 HBADMO CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CC(=O)N(C)C1=O ZINC000513927987 1069775573 /nfs/dbraw/zinc/77/55/73/1069775573.db2.gz OKYYDJPWZPWIGJ-JKSUJKDBSA-N 1 1 408.499 -0.304 20 0 HBADMO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513957481 1069779777 /nfs/dbraw/zinc/77/97/77/1069779777.db2.gz ZBMIVAFQFSIDFU-GOSISDBHSA-N 1 1 423.558 -0.630 20 0 HBADMO CCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513957481 1069779766 /nfs/dbraw/zinc/77/97/66/1069779766.db2.gz ZBMIVAFQFSIDFU-GOSISDBHSA-N 1 1 423.558 -0.630 20 0 HBADMO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513957482 1069779894 /nfs/dbraw/zinc/77/98/94/1069779894.db2.gz ZBMIVAFQFSIDFU-SFHVURJKSA-N 1 1 423.558 -0.630 20 0 HBADMO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000513957482 1069779884 /nfs/dbraw/zinc/77/98/84/1069779884.db2.gz ZBMIVAFQFSIDFU-SFHVURJKSA-N 1 1 423.558 -0.630 20 0 HBADMO 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HBADMO CC(=O)NCc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000522829745 1071220864 /nfs/dbraw/zinc/22/08/64/1071220864.db2.gz WFIRPJKFQAAYHU-MRXNPFEDSA-N 1 1 403.483 -0.035 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000522831371 1071220819 /nfs/dbraw/zinc/22/08/19/1071220819.db2.gz ZITXPKHYTKEDMM-HNNXBMFYSA-N 1 1 405.499 -0.121 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)CC1 ZINC000522831372 1071220735 /nfs/dbraw/zinc/22/07/35/1071220735.db2.gz ZITXPKHYTKEDMM-OAHLLOKOSA-N 1 1 405.499 -0.121 20 0 HBADMO COCC[NH+]1CCN(C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000522835743 1071220984 /nfs/dbraw/zinc/22/09/84/1071220984.db2.gz FEDCBHPLMWZSMH-UHFFFAOYSA-N 1 1 419.548 -0.999 20 0 HBADMO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000522836730 1071221553 /nfs/dbraw/zinc/22/15/53/1071221553.db2.gz QVAGEHJWJKXDGM-KRWDZBQOSA-N 1 1 415.560 -0.093 20 0 HBADMO O=C(NC1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 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C[C@H](C(=O)NC1CC1)N1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000522984119 1071245169 /nfs/dbraw/zinc/24/51/69/1071245169.db2.gz CDMPBIVOMJOCKZ-OAHLLOKOSA-N 1 1 408.547 -0.467 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000522985757 1071246102 /nfs/dbraw/zinc/24/61/02/1071246102.db2.gz LFOGORZZXAYOFE-HNNXBMFYSA-N 1 1 411.528 -0.114 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC000522985758 1071245852 /nfs/dbraw/zinc/24/58/52/1071245852.db2.gz LFOGORZZXAYOFE-OAHLLOKOSA-N 1 1 411.528 -0.114 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000523040124 1071288824 /nfs/dbraw/zinc/28/88/24/1071288824.db2.gz AWTDIMZUGXARFQ-INIZCTEOSA-N 1 1 412.512 -0.099 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 ZINC000523040125 1071289018 /nfs/dbraw/zinc/28/90/18/1071289018.db2.gz AWTDIMZUGXARFQ-MRXNPFEDSA-N 1 1 412.512 -0.099 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 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/nfs/dbraw/zinc/30/16/16/1071301616.db2.gz TVHYNBSMFAREBR-UHFFFAOYSA-N 1 1 424.523 -0.018 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCCS(C)(=O)=O)cc2)CC1 ZINC000523074310 1071302348 /nfs/dbraw/zinc/30/23/48/1071302348.db2.gz QVFDUBJSPUOLAH-UHFFFAOYSA-N 1 1 424.523 -0.508 20 0 HBADMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000523074900 1071302384 /nfs/dbraw/zinc/30/23/84/1071302384.db2.gz YZGKKFPPXPUGSW-INIZCTEOSA-N 1 1 423.539 -0.099 20 0 HBADMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000523074901 1071302195 /nfs/dbraw/zinc/30/21/95/1071302195.db2.gz YZGKKFPPXPUGSW-MRXNPFEDSA-N 1 1 423.539 -0.099 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2O1 ZINC000523116382 1071316837 /nfs/dbraw/zinc/31/68/37/1071316837.db2.gz QYPUYARCHAFWLV-CRAIPNDOSA-N 1 1 418.494 -0.120 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c2ccccc2O1 ZINC000523116383 1071316957 /nfs/dbraw/zinc/31/69/57/1071316957.db2.gz QYPUYARCHAFWLV-MAUKXSAKSA-N 1 1 418.494 -0.120 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c2ccccc2O1 ZINC000523116384 1071316990 /nfs/dbraw/zinc/31/69/90/1071316990.db2.gz QYPUYARCHAFWLV-QAPCUYQASA-N 1 1 418.494 -0.120 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c2ccccc2O1 ZINC000523116385 1071316691 /nfs/dbraw/zinc/31/66/91/1071316691.db2.gz QYPUYARCHAFWLV-YJBOKZPZSA-N 1 1 418.494 -0.120 20 0 HBADMO CN1C(=O)c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2C1=O ZINC000523117201 1071316568 /nfs/dbraw/zinc/31/65/68/1071316568.db2.gz YGJRUJBHLJVWRT-AWEZNQCLSA-N 1 1 401.423 -0.693 20 0 HBADMO CN1C(=O)c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2C1=O ZINC000523117202 1071316729 /nfs/dbraw/zinc/31/67/29/1071316729.db2.gz YGJRUJBHLJVWRT-CQSZACIVSA-N 1 1 401.423 -0.693 20 0 HBADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1S(N)(=O)=O ZINC000523117714 1071316781 /nfs/dbraw/zinc/31/67/81/1071316781.db2.gz QQIPIVCVLTZZEJ-HNNXBMFYSA-N 1 1 412.512 -0.066 20 0 HBADMO Cc1ccc(NC(=O)C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1S(N)(=O)=O ZINC000523117715 1071316975 /nfs/dbraw/zinc/31/69/75/1071316975.db2.gz QQIPIVCVLTZZEJ-OAHLLOKOSA-N 1 1 412.512 -0.066 20 0 HBADMO CN1c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2CCC1=O ZINC000523118233 1071317553 /nfs/dbraw/zinc/31/75/53/1071317553.db2.gz HSPFDAUPJXHFEQ-INIZCTEOSA-N 1 1 401.467 -0.010 20 0 HBADMO CN1c2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2CCC1=O ZINC000523118234 1071317673 /nfs/dbraw/zinc/31/76/73/1071317673.db2.gz HSPFDAUPJXHFEQ-MRXNPFEDSA-N 1 1 401.467 -0.010 20 0 HBADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000523119066 1071316899 /nfs/dbraw/zinc/31/68/99/1071316899.db2.gz NRFZBIZKCFMLAS-HNNXBMFYSA-N 1 1 410.496 -0.125 20 0 HBADMO CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000523119067 1071316640 /nfs/dbraw/zinc/31/66/40/1071316640.db2.gz NRFZBIZKCFMLAS-OAHLLOKOSA-N 1 1 410.496 -0.125 20 0 HBADMO C[C@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2NC1=O ZINC000523120232 1071317420 /nfs/dbraw/zinc/31/74/20/1071317420.db2.gz FITHFUFHHMAUDN-BXUZGUMPSA-N 1 1 403.439 -0.200 20 0 HBADMO C[C@@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2NC1=O ZINC000523120233 1071317593 /nfs/dbraw/zinc/31/75/93/1071317593.db2.gz FITHFUFHHMAUDN-FZMZJTMJSA-N 1 1 403.439 -0.200 20 0 HBADMO C[C@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)cc2NC1=O ZINC000523120234 1071317626 /nfs/dbraw/zinc/31/76/26/1071317626.db2.gz FITHFUFHHMAUDN-RISCZKNCSA-N 1 1 403.439 -0.200 20 0 HBADMO C[C@@H]1Oc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2NC1=O ZINC000523120235 1071317267 /nfs/dbraw/zinc/31/72/67/1071317267.db2.gz FITHFUFHHMAUDN-SMDDNHRTSA-N 1 1 403.439 -0.200 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000523138823 1071318795 /nfs/dbraw/zinc/31/87/95/1071318795.db2.gz MIHRXMOMEQBUKZ-AWEZNQCLSA-N 1 1 416.526 -0.056 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000523138824 1071318719 /nfs/dbraw/zinc/31/87/19/1071318719.db2.gz MIHRXMOMEQBUKZ-CQSZACIVSA-N 1 1 416.526 -0.056 20 0 HBADMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523152030 1071320133 /nfs/dbraw/zinc/32/01/33/1071320133.db2.gz MUKVVMYGKOMQAK-CYBMUJFWSA-N 1 1 416.482 -0.742 20 0 HBADMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523152031 1071320403 /nfs/dbraw/zinc/32/04/03/1071320403.db2.gz MUKVVMYGKOMQAK-ZDUSSCGKSA-N 1 1 416.482 -0.742 20 0 HBADMO NS(=O)(=O)c1cnn(CCC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000523177716 1071328275 /nfs/dbraw/zinc/32/82/75/1071328275.db2.gz IHEVLSIGUFLILU-UHFFFAOYSA-N 1 1 421.527 -0.356 20 0 HBADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCCN1CCCS1(=O)=O ZINC000523193293 1071327527 /nfs/dbraw/zinc/32/75/27/1071327527.db2.gz HLMWXUAGNBJSMB-UHFFFAOYSA-N 1 1 410.544 -0.072 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000523207951 1071329084 /nfs/dbraw/zinc/32/90/84/1071329084.db2.gz FOHSPBDGSMYKEQ-INIZCTEOSA-N 1 1 417.576 -0.006 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC000523207952 1071329259 /nfs/dbraw/zinc/32/92/59/1071329259.db2.gz FOHSPBDGSMYKEQ-MRXNPFEDSA-N 1 1 417.576 -0.006 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000523209195 1071330132 /nfs/dbraw/zinc/33/01/32/1071330132.db2.gz AIDVLLHDBKFPHM-AWEZNQCLSA-N 1 1 405.565 -0.054 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000523209196 1071329967 /nfs/dbraw/zinc/32/99/67/1071329967.db2.gz AIDVLLHDBKFPHM-CQSZACIVSA-N 1 1 405.565 -0.054 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000523209209 1071329843 /nfs/dbraw/zinc/32/98/43/1071329843.db2.gz ASYNYCSADQYDBR-CVEARBPZSA-N 1 1 417.576 -0.100 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000523209210 1071329884 /nfs/dbraw/zinc/32/98/84/1071329884.db2.gz ASYNYCSADQYDBR-HOTGVXAUSA-N 1 1 417.576 -0.100 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000523209211 1071330197 /nfs/dbraw/zinc/33/01/97/1071330197.db2.gz ASYNYCSADQYDBR-HZPDHXFCSA-N 1 1 417.576 -0.100 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000523209212 1071330092 /nfs/dbraw/zinc/33/00/92/1071330092.db2.gz ASYNYCSADQYDBR-JKSUJKDBSA-N 1 1 417.576 -0.100 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000523236126 1071334962 /nfs/dbraw/zinc/33/49/62/1071334962.db2.gz BZWFDJGIONZWKZ-INIZCTEOSA-N 1 1 403.483 -0.288 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(CC(N)=O)cc1 ZINC000523236127 1071334801 /nfs/dbraw/zinc/33/48/01/1071334801.db2.gz BZWFDJGIONZWKZ-MRXNPFEDSA-N 1 1 403.483 -0.288 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000523237352 1071335564 /nfs/dbraw/zinc/33/55/64/1071335564.db2.gz BWOKDFKGEVNETI-INIZCTEOSA-N 1 1 414.470 -0.340 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000523237353 1071335335 /nfs/dbraw/zinc/33/53/35/1071335335.db2.gz BWOKDFKGEVNETI-MRXNPFEDSA-N 1 1 414.470 -0.340 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000523241685 1071333464 /nfs/dbraw/zinc/33/34/64/1071333464.db2.gz FRCMGZWDJCJMRG-HNNXBMFYSA-N 1 1 423.495 -0.563 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000523241685 1071333448 /nfs/dbraw/zinc/33/34/48/1071333448.db2.gz FRCMGZWDJCJMRG-HNNXBMFYSA-N 1 1 423.495 -0.563 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000523241686 1071333602 /nfs/dbraw/zinc/33/36/02/1071333602.db2.gz FRCMGZWDJCJMRG-OAHLLOKOSA-N 1 1 423.495 -0.563 20 0 HBADMO 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O=C(Cn1nc2ccccn2c1=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000523357133 1071348404 /nfs/dbraw/zinc/34/84/04/1071348404.db2.gz XHKYDPTXMAMHGQ-UHFFFAOYSA-N 1 1 408.462 -0.043 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cn1C ZINC000523377282 1071350465 /nfs/dbraw/zinc/35/04/65/1071350465.db2.gz PQPHXQAIMBRRPT-HNNXBMFYSA-N 1 1 401.533 -0.130 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cn1C ZINC000523377283 1071350177 /nfs/dbraw/zinc/35/01/77/1071350177.db2.gz PQPHXQAIMBRRPT-OAHLLOKOSA-N 1 1 401.533 -0.130 20 0 HBADMO CCN1CC[NH+](CCCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000523427769 1071354346 /nfs/dbraw/zinc/35/43/46/1071354346.db2.gz QMUSWBCOPBDWFJ-UHFFFAOYSA-N 1 1 402.499 -0.302 20 0 HBADMO C[C@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000523431759 1071354967 /nfs/dbraw/zinc/35/49/67/1071354967.db2.gz SJGOWWDKCKIHCU-CVEARBPZSA-N 1 1 406.549 -0.258 20 0 HBADMO C[C@@H](CNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)C[NH+]1CCOCC1 ZINC000523431760 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QQJHIIAVFNDFHY-CYBMUJFWSA-N 1 1 408.455 -0.418 20 0 HBADMO COc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1OCC(N)=O ZINC000523460307 1071356434 /nfs/dbraw/zinc/35/64/34/1071356434.db2.gz QQJHIIAVFNDFHY-ZDUSSCGKSA-N 1 1 408.455 -0.418 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000523466434 1071357037 /nfs/dbraw/zinc/35/70/37/1071357037.db2.gz QSGCKNVOPDLYNC-LLVKDONJSA-N 1 1 402.448 -0.504 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000523466435 1071357172 /nfs/dbraw/zinc/35/71/72/1071357172.db2.gz QSGCKNVOPDLYNC-NSHDSACASA-N 1 1 402.448 -0.504 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000523467603 1071357657 /nfs/dbraw/zinc/35/76/57/1071357657.db2.gz CZRFYUAGZPNCAN-PBHICJAKSA-N 1 1 404.467 -0.389 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000523467604 1071357693 /nfs/dbraw/zinc/35/76/93/1071357693.db2.gz CZRFYUAGZPNCAN-RHSMWYFYSA-N 1 1 404.467 -0.389 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000523467605 1071357412 /nfs/dbraw/zinc/35/74/12/1071357412.db2.gz CZRFYUAGZPNCAN-WMLDXEAASA-N 1 1 404.467 -0.389 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000523467606 1071357501 /nfs/dbraw/zinc/35/75/01/1071357501.db2.gz CZRFYUAGZPNCAN-YOEHRIQHSA-N 1 1 404.467 -0.389 20 0 HBADMO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000523501935 1071359485 /nfs/dbraw/zinc/35/94/85/1071359485.db2.gz LULVOYJPFFBBHW-INIZCTEOSA-N 1 1 416.544 -0.255 20 0 HBADMO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000523501936 1071359353 /nfs/dbraw/zinc/35/93/53/1071359353.db2.gz LULVOYJPFFBBHW-MRXNPFEDSA-N 1 1 416.544 -0.255 20 0 HBADMO Cc1nc(S(=O)(=O)NCCC(=O)NCCCCN2CC[NH+](C)CC2)cn1C ZINC000523507932 1071358886 /nfs/dbraw/zinc/35/88/86/1071358886.db2.gz IRDCFAVWAMYDGO-UHFFFAOYSA-N 1 1 400.549 -0.459 20 0 HBADMO 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HYMZZVMDVVZWFY-JKSUJKDBSA-N 1 1 418.560 -0.420 20 0 HBADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532176402 1069145860 /nfs/dbraw/zinc/14/58/60/1069145860.db2.gz YVRLYZYWVCBSKT-GUDVDZBRSA-N 1 1 408.543 -0.073 20 0 HBADMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532176403 1069145589 /nfs/dbraw/zinc/14/55/89/1069145589.db2.gz YVRLYZYWVCBSKT-IPMKNSEASA-N 1 1 408.543 -0.073 20 0 HBADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532176404 1069145568 /nfs/dbraw/zinc/14/55/68/1069145568.db2.gz YVRLYZYWVCBSKT-OTWHNJEPSA-N 1 1 408.543 -0.073 20 0 HBADMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000532176405 1069145891 /nfs/dbraw/zinc/14/58/91/1069145891.db2.gz YVRLYZYWVCBSKT-QRVBRYPASA-N 1 1 408.543 -0.073 20 0 HBADMO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000532189883 1069146323 /nfs/dbraw/zinc/14/63/23/1069146323.db2.gz HFYSVODUNKQPCD-MOPGFXCFSA-N 1 1 423.558 -0.184 20 0 HBADMO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000532189884 1069146349 /nfs/dbraw/zinc/14/63/49/1069146349.db2.gz HFYSVODUNKQPCD-OALUTQOASA-N 1 1 423.558 -0.184 20 0 HBADMO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532189885 1069146533 /nfs/dbraw/zinc/14/65/33/1069146533.db2.gz HFYSVODUNKQPCD-RBUKOAKNSA-N 1 1 423.558 -0.184 20 0 HBADMO O=C(CN1CCOCC1)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532189886 1069146655 /nfs/dbraw/zinc/14/66/55/1069146655.db2.gz HFYSVODUNKQPCD-RTBURBONSA-N 1 1 423.558 -0.184 20 0 HBADMO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000532191241 1069146549 /nfs/dbraw/zinc/14/65/49/1069146549.db2.gz SIJCRKRUYNVXMZ-CVEARBPZSA-N 1 1 406.491 -0.830 20 0 HBADMO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000532191242 1069146680 /nfs/dbraw/zinc/14/66/80/1069146680.db2.gz SIJCRKRUYNVXMZ-HOTGVXAUSA-N 1 1 406.491 -0.830 20 0 HBADMO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532191243 1069146462 /nfs/dbraw/zinc/14/64/62/1069146462.db2.gz SIJCRKRUYNVXMZ-HZPDHXFCSA-N 1 1 406.491 -0.830 20 0 HBADMO O=C(Cn1cnnn1)N1CCN(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000532191244 1069146432 /nfs/dbraw/zinc/14/64/32/1069146432.db2.gz SIJCRKRUYNVXMZ-JKSUJKDBSA-N 1 1 406.491 -0.830 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532197019 1069147312 /nfs/dbraw/zinc/14/73/12/1069147312.db2.gz SFOBGHKBKMHQKX-HNNXBMFYSA-N 1 1 416.525 -0.739 20 0 HBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532197020 1069147490 /nfs/dbraw/zinc/14/74/90/1069147490.db2.gz SFOBGHKBKMHQKX-OAHLLOKOSA-N 1 1 416.525 -0.739 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cnn(-c3ccccn3)c2)CC1 ZINC000532247938 1069147283 /nfs/dbraw/zinc/14/72/83/1069147283.db2.gz ZTZXQYVUHORSRN-INIZCTEOSA-N 1 1 411.466 -0.029 20 0 HBADMO 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C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532712082 1069230878 /nfs/dbraw/zinc/23/08/78/1069230878.db2.gz ZXHMPEUKRMNIAR-FXUDXRNXSA-N 1 1 416.544 -0.522 20 0 HBADMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000532712083 1069231072 /nfs/dbraw/zinc/23/10/72/1069231072.db2.gz ZXHMPEUKRMNIAR-QKPAOTATSA-N 1 1 416.544 -0.522 20 0 HBADMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532712084 1069231009 /nfs/dbraw/zinc/23/10/09/1069231009.db2.gz ZXHMPEUKRMNIAR-QXSJWSMHSA-N 1 1 416.544 -0.522 20 0 HBADMO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000532712085 1069230915 /nfs/dbraw/zinc/23/09/15/1069230915.db2.gz ZXHMPEUKRMNIAR-UGUYLWEFSA-N 1 1 416.544 -0.522 20 0 HBADMO CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000532726110 1069234343 /nfs/dbraw/zinc/23/43/43/1069234343.db2.gz BLDCOSYRHHDDSP-KRWDZBQOSA-N 1 1 423.539 -0.093 20 0 HBADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000532726111 1069234213 /nfs/dbraw/zinc/23/42/13/1069234213.db2.gz BLDCOSYRHHDDSP-QGZVFWFLSA-N 1 1 423.539 -0.093 20 0 HBADMO CCn1c(N)c(C(=O)CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(=O)[nH]c1=O ZINC000532731108 1069234263 /nfs/dbraw/zinc/23/42/63/1069234263.db2.gz FLVDZNILHWLVTB-UHFFFAOYSA-N 1 1 402.459 -0.588 20 0 HBADMO CCN(C(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000532731580 1069234243 /nfs/dbraw/zinc/23/42/43/1069234243.db2.gz XAKMTPYEWDXYSF-HNNXBMFYSA-N 1 1 410.544 -0.300 20 0 HBADMO CCN(C(=O)CN1CCN(c2cc[nH+]c(N(C)C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000532731581 1069234356 /nfs/dbraw/zinc/23/43/56/1069234356.db2.gz XAKMTPYEWDXYSF-OAHLLOKOSA-N 1 1 410.544 -0.300 20 0 HBADMO CCCn1c(N)c(C(=O)CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(=O)[nH]c1=O ZINC000532733807 1069233726 /nfs/dbraw/zinc/23/37/26/1069233726.db2.gz KKYCJNPEFFZHPS-UHFFFAOYSA-N 1 1 416.486 -0.198 20 0 HBADMO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000532750485 1069235362 /nfs/dbraw/zinc/23/53/62/1069235362.db2.gz UCACHWKOPKDUGG-KRWDZBQOSA-N 1 1 424.523 -0.350 20 0 HBADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000532750486 1069235267 /nfs/dbraw/zinc/23/52/67/1069235267.db2.gz UCACHWKOPKDUGG-QGZVFWFLSA-N 1 1 424.523 -0.350 20 0 HBADMO CCNC(=O)N1CC[NH+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532756539 1069237488 /nfs/dbraw/zinc/23/74/88/1069237488.db2.gz HMUZZMUKFRSQPP-UHFFFAOYSA-N 1 1 411.528 -0.270 20 0 HBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)c1 ZINC000532763650 1069238554 /nfs/dbraw/zinc/23/85/54/1069238554.db2.gz UDNGTPJDFDRNJV-UHFFFAOYSA-N 1 1 408.524 -0.031 20 0 HBADMO CN(CCCNC(=O)C[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)S(C)(=O)=O ZINC000532818258 1069241149 /nfs/dbraw/zinc/24/11/49/1069241149.db2.gz RNRDJTCCTAWOMX-UHFFFAOYSA-N 1 1 410.496 -0.388 20 0 HBADMO CN(CCCNC(=O)C[N@H+](C)CCN1C(=O)c2ccccc2C1=O)S(C)(=O)=O ZINC000532818258 1069241137 /nfs/dbraw/zinc/24/11/37/1069241137.db2.gz RNRDJTCCTAWOMX-UHFFFAOYSA-N 1 1 410.496 -0.388 20 0 HBADMO CN(CCN1CCCS1(=O)=O)[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)CC1 ZINC000532827144 1069240573 /nfs/dbraw/zinc/24/05/73/1069240573.db2.gz KJEGTTAVILCHTR-KRWDZBQOSA-N 1 1 422.617 -0.156 20 0 HBADMO CN(CCN1CCCS1(=O)=O)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)CC1 ZINC000532827144 1069240565 /nfs/dbraw/zinc/24/05/65/1069240565.db2.gz KJEGTTAVILCHTR-KRWDZBQOSA-N 1 1 422.617 -0.156 20 0 HBADMO C[N@@H+](CCN1CCCS1(=O)=O)[C@H]1CCCN(CCN2CCCS2(=O)=O)CC1 ZINC000532827144 1069240556 /nfs/dbraw/zinc/24/05/56/1069240556.db2.gz KJEGTTAVILCHTR-KRWDZBQOSA-N 1 1 422.617 -0.156 20 0 HBADMO CN(CCN1CCCS1(=O)=O)[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)CC1 ZINC000532827145 1069240390 /nfs/dbraw/zinc/24/03/90/1069240390.db2.gz KJEGTTAVILCHTR-QGZVFWFLSA-N 1 1 422.617 -0.156 20 0 HBADMO CN(CCN1CCCS1(=O)=O)[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)CC1 ZINC000532827145 1069240378 /nfs/dbraw/zinc/24/03/78/1069240378.db2.gz KJEGTTAVILCHTR-QGZVFWFLSA-N 1 1 422.617 -0.156 20 0 HBADMO C[N@@H+](CCN1CCCS1(=O)=O)[C@@H]1CCCN(CCN2CCCS2(=O)=O)CC1 ZINC000532827145 1069240369 /nfs/dbraw/zinc/24/03/69/1069240369.db2.gz KJEGTTAVILCHTR-QGZVFWFLSA-N 1 1 422.617 -0.156 20 0 HBADMO CN(CC(=O)NC(=O)NC1CC1)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827293 1069240277 /nfs/dbraw/zinc/24/02/77/1069240277.db2.gz JXFDCCUGTMQUDM-HNNXBMFYSA-N 1 1 408.503 -0.251 20 0 HBADMO CN(CC(=O)NC(=O)NC1CC1)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827293 1069240262 /nfs/dbraw/zinc/24/02/62/1069240262.db2.gz JXFDCCUGTMQUDM-HNNXBMFYSA-N 1 1 408.503 -0.251 20 0 HBADMO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827293 1069240248 /nfs/dbraw/zinc/24/02/48/1069240248.db2.gz JXFDCCUGTMQUDM-HNNXBMFYSA-N 1 1 408.503 -0.251 20 0 HBADMO CN(CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827294 1069240184 /nfs/dbraw/zinc/24/01/84/1069240184.db2.gz JXFDCCUGTMQUDM-OAHLLOKOSA-N 1 1 408.503 -0.251 20 0 HBADMO CN(CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827294 1069240175 /nfs/dbraw/zinc/24/01/75/1069240175.db2.gz JXFDCCUGTMQUDM-OAHLLOKOSA-N 1 1 408.503 -0.251 20 0 HBADMO C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCCN(CC(=O)NC(=O)NC2CC2)CC1 ZINC000532827294 1069240163 /nfs/dbraw/zinc/24/01/63/1069240163.db2.gz JXFDCCUGTMQUDM-OAHLLOKOSA-N 1 1 408.503 -0.251 20 0 HBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1=O ZINC000532831955 1069242011 /nfs/dbraw/zinc/24/20/11/1069242011.db2.gz GTMSLMZFZKUXEJ-UHFFFAOYSA-N 1 1 408.455 -0.735 20 0 HBADMO COCCn1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1C ZINC000532833455 1069242219 /nfs/dbraw/zinc/24/22/19/1069242219.db2.gz MILOBUCFZYBCME-INIZCTEOSA-N 1 1 420.514 -0.150 20 0 HBADMO COCCn1nc(C)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1C ZINC000532833464 1069242076 /nfs/dbraw/zinc/24/20/76/1069242076.db2.gz MILOBUCFZYBCME-MRXNPFEDSA-N 1 1 420.514 -0.150 20 0 HBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1=O ZINC000532835413 1069242581 /nfs/dbraw/zinc/24/25/81/1069242581.db2.gz UXCJLHGWCITKOH-HNNXBMFYSA-N 1 1 420.466 -0.469 20 0 HBADMO CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1=O ZINC000532835414 1069242630 /nfs/dbraw/zinc/24/26/30/1069242630.db2.gz UXCJLHGWCITKOH-OAHLLOKOSA-N 1 1 420.466 -0.469 20 0 HBADMO Nc1c(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000532905479 1069244824 /nfs/dbraw/zinc/24/48/24/1069244824.db2.gz JYJNXWULDDJPNF-GFCCVEGCSA-N 1 1 405.455 -0.381 20 0 HBADMO Nc1c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000532905479 1069244816 /nfs/dbraw/zinc/24/48/16/1069244816.db2.gz JYJNXWULDDJPNF-GFCCVEGCSA-N 1 1 405.455 -0.381 20 0 HBADMO Nc1c(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000532905485 1069244585 /nfs/dbraw/zinc/24/45/85/1069244585.db2.gz JYJNXWULDDJPNF-LBPRGKRZSA-N 1 1 405.455 -0.381 20 0 HBADMO Nc1c(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c(=O)n1C1CC1 ZINC000532905485 1069244574 /nfs/dbraw/zinc/24/45/74/1069244574.db2.gz JYJNXWULDDJPNF-LBPRGKRZSA-N 1 1 405.455 -0.381 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000532905810 1069244631 /nfs/dbraw/zinc/24/46/31/1069244631.db2.gz GTLREQKCKVVOJA-AWEZNQCLSA-N 1 1 421.498 -0.059 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000532905810 1069244618 /nfs/dbraw/zinc/24/46/18/1069244618.db2.gz GTLREQKCKVVOJA-AWEZNQCLSA-N 1 1 421.498 -0.059 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000532905811 1069244787 /nfs/dbraw/zinc/24/47/87/1069244787.db2.gz GTLREQKCKVVOJA-CQSZACIVSA-N 1 1 421.498 -0.059 20 0 HBADMO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c(=O)[nH]c1=O ZINC000532905811 1069244777 /nfs/dbraw/zinc/24/47/77/1069244777.db2.gz GTLREQKCKVVOJA-CQSZACIVSA-N 1 1 421.498 -0.059 20 0 HBADMO CCN(CC)C(=O)CN1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000532907270 1069244702 /nfs/dbraw/zinc/24/47/02/1069244702.db2.gz DKYSUPNSBCPEMC-UHFFFAOYSA-N 1 1 419.530 -0.690 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[NH+](CCO)CC3)CC2)cc1 ZINC000532913128 1069245290 /nfs/dbraw/zinc/24/52/90/1069245290.db2.gz MMJHFHWLZSQOEV-GOSISDBHSA-N 1 1 424.567 -0.174 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[NH+](CCO)CC3)CC2)cc1 ZINC000532913129 1069245163 /nfs/dbraw/zinc/24/51/63/1069245163.db2.gz MMJHFHWLZSQOEV-SFHVURJKSA-N 1 1 424.567 -0.174 20 0 HBADMO CCCCN(C(=O)CN1CC[NH+](CCO)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000532913442 1069245192 /nfs/dbraw/zinc/24/51/92/1069245192.db2.gz RMOHNXRIQJEJIX-UHFFFAOYSA-N 1 1 424.546 -0.070 20 0 HBADMO COCCN(C(=O)C[N@@H+](C)CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000532914194 1069245259 /nfs/dbraw/zinc/24/52/59/1069245259.db2.gz OUQCIXUOFQFRSA-UHFFFAOYSA-N 1 1 405.455 -0.517 20 0 HBADMO COCCN(C(=O)C[N@H+](C)CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000532914194 1069245256 /nfs/dbraw/zinc/24/52/56/1069245256.db2.gz OUQCIXUOFQFRSA-UHFFFAOYSA-N 1 1 405.455 -0.517 20 0 HBADMO Cn1c(N)c(C(=O)CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(=O)n(C)c1=O ZINC000532926477 1069245853 /nfs/dbraw/zinc/24/58/53/1069245853.db2.gz NXOYCAKGIGDPAX-UHFFFAOYSA-N 1 1 421.420 -0.565 20 0 HBADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532944680 1069247610 /nfs/dbraw/zinc/24/76/10/1069247610.db2.gz OYQKONAFYHTLAY-CALCHBBNSA-N 1 1 417.558 -0.076 20 0 HBADMO O=C(C[NH+](CCO)CCO)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000532950795 1069247481 /nfs/dbraw/zinc/24/74/81/1069247481.db2.gz JYWOLIWRIFJABT-UHFFFAOYSA-N 1 1 423.894 -0.401 20 0 HBADMO COCC[N@@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532953897 1069247453 /nfs/dbraw/zinc/24/74/53/1069247453.db2.gz LHUZVUHDMAYGJJ-UHFFFAOYSA-N 1 1 415.512 -0.736 20 0 HBADMO COCC[N@H+](CCO)CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532953897 1069247436 /nfs/dbraw/zinc/24/74/36/1069247436.db2.gz LHUZVUHDMAYGJJ-UHFFFAOYSA-N 1 1 415.512 -0.736 20 0 HBADMO CNC(=O)CC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000532954931 1069386106 /nfs/dbraw/zinc/38/61/06/1069386106.db2.gz FAVSVHCVDHJYGE-UHFFFAOYSA-N 1 1 400.476 -0.274 20 0 HBADMO C[C@@H]1C[N@H+](CC2CCN(CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000532957188 1069248534 /nfs/dbraw/zinc/24/85/34/1069248534.db2.gz PUHKPORFNKLEIF-OKILXGFUSA-N 1 1 407.515 -0.330 20 0 HBADMO O=C(C[N@H+](CCO)CCCO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532958657 1069248496 /nfs/dbraw/zinc/24/84/96/1069248496.db2.gz KZGNXCLKXFXEMK-UHFFFAOYSA-N 1 1 415.512 -1.000 20 0 HBADMO O=C(C[N@@H+](CCO)CCCO)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000532958657 1069248486 /nfs/dbraw/zinc/24/84/86/1069248486.db2.gz KZGNXCLKXFXEMK-UHFFFAOYSA-N 1 1 415.512 -1.000 20 0 HBADMO Cn1cnc2c1c(=O)n(CCCN1CCN(C[C@@H]3CCCC[N@H+]3C)CC1)c(=O)n2C ZINC000532959278 1069249462 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419.931 -0.150 20 0 HBADMO O=C(C[N@@H+](CCO)CCCO)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000532965762 1069248196 /nfs/dbraw/zinc/24/81/96/1069248196.db2.gz QZEXAJQWUBFOIK-UHFFFAOYSA-N 1 1 419.931 -0.150 20 0 HBADMO CCN(C(=O)C[NH+](CCO)CCO)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000532966320 1069247973 /nfs/dbraw/zinc/24/79/73/1069247973.db2.gz DOMWIFJAWGFJFZ-UHFFFAOYSA-N 1 1 405.455 -0.781 20 0 HBADMO COCCn1c(N)c(C(=O)CN2CCN(c3cc(OC)cc[nH+]3)CC2)c(=O)[nH]c1=O ZINC000532966525 1069248050 /nfs/dbraw/zinc/24/80/50/1069248050.db2.gz XNVPSJGRTHGKJK-UHFFFAOYSA-N 1 1 418.454 -0.414 20 0 HBADMO C[N@@H+](CCCO)C1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532976191 1069250233 /nfs/dbraw/zinc/25/02/33/1069250233.db2.gz AXFOQGPJEBMJQG-UHFFFAOYSA-N 1 1 412.556 -0.229 20 0 HBADMO CCCCn1c(N)c(N(CCOC)C(=O)CN2CC[N@@H+](C)C[C@@H]2C)c(=O)[nH]c1=O ZINC000532981152 1069249961 /nfs/dbraw/zinc/24/99/61/1069249961.db2.gz ACVSIKIKLVQAJH-AWEZNQCLSA-N 1 1 410.519 -0.054 20 0 HBADMO 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C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533033668 1069253714 /nfs/dbraw/zinc/25/37/14/1069253714.db2.gz FXIGJTIBGAHDOY-GOEBONIOSA-N 1 1 423.539 -0.129 20 0 HBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000533033668 1069253702 /nfs/dbraw/zinc/25/37/02/1069253702.db2.gz FXIGJTIBGAHDOY-GOEBONIOSA-N 1 1 423.539 -0.129 20 0 HBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033669 1069253476 /nfs/dbraw/zinc/25/34/76/1069253476.db2.gz FXIGJTIBGAHDOY-HOCLYGCPSA-N 1 1 423.539 -0.129 20 0 HBADMO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033669 1069253464 /nfs/dbraw/zinc/25/34/64/1069253464.db2.gz FXIGJTIBGAHDOY-HOCLYGCPSA-N 1 1 423.539 -0.129 20 0 HBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033670 1069253511 /nfs/dbraw/zinc/25/35/11/1069253511.db2.gz FXIGJTIBGAHDOY-ZBFHGGJFSA-N 1 1 423.539 -0.129 20 0 HBADMO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000533033670 1069253499 /nfs/dbraw/zinc/25/34/99/1069253499.db2.gz FXIGJTIBGAHDOY-ZBFHGGJFSA-N 1 1 423.539 -0.129 20 0 HBADMO CCn1c(N)c(C(=O)CN2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]c1=O ZINC000533054990 1069255459 /nfs/dbraw/zinc/25/54/59/1069255459.db2.gz BKLRBMWLQVCYSQ-UHFFFAOYSA-N 1 1 420.514 -0.390 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000533058157 1069257222 /nfs/dbraw/zinc/25/72/22/1069257222.db2.gz FKLKVQFNNIEDNQ-LTIDMASMSA-N 1 1 401.529 -0.756 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000533058160 1069257538 /nfs/dbraw/zinc/25/75/38/1069257538.db2.gz FKLKVQFNNIEDNQ-NCOADZHNSA-N 1 1 401.529 -0.756 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000533058161 1069257265 /nfs/dbraw/zinc/25/72/65/1069257265.db2.gz FKLKVQFNNIEDNQ-QZWWFDLISA-N 1 1 401.529 -0.756 20 0 HBADMO 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C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NCCc1cccs1 ZINC000533516204 1069290934 /nfs/dbraw/zinc/29/09/34/1069290934.db2.gz GGFMVNYIOXCSNJ-BPUTZDHNSA-N 1 1 401.554 -0.117 20 0 HBADMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)NCCc1cccs1 ZINC000533516205 1069290846 /nfs/dbraw/zinc/29/08/46/1069290846.db2.gz GGFMVNYIOXCSNJ-CWRNSKLLSA-N 1 1 401.554 -0.117 20 0 HBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NCCc1cccs1 ZINC000533516206 1069290807 /nfs/dbraw/zinc/29/08/07/1069290807.db2.gz GGFMVNYIOXCSNJ-IMJJTQAJSA-N 1 1 401.554 -0.117 20 0 HBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)NCCc1cccs1 ZINC000533516207 1069291327 /nfs/dbraw/zinc/29/13/27/1069291327.db2.gz GGFMVNYIOXCSNJ-NUEKZKHPSA-N 1 1 401.554 -0.117 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CC[NH+](CCCS(N)(=O)=O)CC2)cc1 ZINC000533517808 1069292323 /nfs/dbraw/zinc/29/23/23/1069292323.db2.gz OVTLSIROBSJCSY-UHFFFAOYSA-N 1 1 404.558 -0.430 20 0 HBADMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533519297 1069292433 /nfs/dbraw/zinc/29/24/33/1069292433.db2.gz KTDWBHHQANDHKI-CHWSQXEVSA-N 1 1 401.451 -0.127 20 0 HBADMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533519298 1069292632 /nfs/dbraw/zinc/29/26/32/1069292632.db2.gz KTDWBHHQANDHKI-OLZOCXBDSA-N 1 1 401.451 -0.127 20 0 HBADMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533519300 1069292493 /nfs/dbraw/zinc/29/24/93/1069292493.db2.gz KTDWBHHQANDHKI-QWHCGFSZSA-N 1 1 401.451 -0.127 20 0 HBADMO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533519302 1069292537 /nfs/dbraw/zinc/29/25/37/1069292537.db2.gz KTDWBHHQANDHKI-STQMWFEESA-N 1 1 401.451 -0.127 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCCCOC1CCCCC1 ZINC000533519731 1069293641 /nfs/dbraw/zinc/29/36/41/1069293641.db2.gz DFTRYAOELAHUPW-MSOLQXFVSA-N 1 1 417.572 -0.071 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCCCOC1CCCCC1 ZINC000533519732 1069293488 /nfs/dbraw/zinc/29/34/88/1069293488.db2.gz DFTRYAOELAHUPW-QZTJIDSGSA-N 1 1 417.572 -0.071 20 0 HBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NCCCOC1CCCCC1 ZINC000533519733 1069293785 /nfs/dbraw/zinc/29/37/85/1069293785.db2.gz DFTRYAOELAHUPW-ROUUACIJSA-N 1 1 417.572 -0.071 20 0 HBADMO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NCCCOC1CCCCC1 ZINC000533519734 1069293741 /nfs/dbraw/zinc/29/37/41/1069293741.db2.gz DFTRYAOELAHUPW-ZWKOTPCHSA-N 1 1 417.572 -0.071 20 0 HBADMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000533519881 1069293031 /nfs/dbraw/zinc/29/30/31/1069293031.db2.gz GKXVUUJSOBXCCK-BPUTZDHNSA-N 1 1 416.544 -0.379 20 0 HBADMO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000533519882 1069292907 /nfs/dbraw/zinc/29/29/07/1069292907.db2.gz GKXVUUJSOBXCCK-CWRNSKLLSA-N 1 1 416.544 -0.379 20 0 HBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000533519883 1069293194 /nfs/dbraw/zinc/29/31/94/1069293194.db2.gz GKXVUUJSOBXCCK-IMJJTQAJSA-N 1 1 416.544 -0.379 20 0 HBADMO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)NC(=O)NC1CCCCC1 ZINC000533519884 1069293149 /nfs/dbraw/zinc/29/31/49/1069293149.db2.gz GKXVUUJSOBXCCK-NUEKZKHPSA-N 1 1 416.544 -0.379 20 0 HBADMO COCc1cccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533519936 1069293181 /nfs/dbraw/zinc/29/31/81/1069293181.db2.gz JARNUWIEVOMVRZ-MSOLQXFVSA-N 1 1 411.524 -0.463 20 0 HBADMO COCc1cccc(CNC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533519937 1069292936 /nfs/dbraw/zinc/29/29/36/1069292936.db2.gz JARNUWIEVOMVRZ-QZTJIDSGSA-N 1 1 411.524 -0.463 20 0 HBADMO COCc1cccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533519938 1069293247 /nfs/dbraw/zinc/29/32/47/1069293247.db2.gz JARNUWIEVOMVRZ-ROUUACIJSA-N 1 1 411.524 -0.463 20 0 HBADMO COCc1cccc(CNC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533519939 1069293097 /nfs/dbraw/zinc/29/30/97/1069293097.db2.gz JARNUWIEVOMVRZ-ZWKOTPCHSA-N 1 1 411.524 -0.463 20 0 HBADMO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533520089 1069293209 /nfs/dbraw/zinc/29/32/09/1069293209.db2.gz PWOVMPXNYMBRHG-BMGDILEWSA-N 1 1 411.524 -0.213 20 0 HBADMO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533520090 1069293221 /nfs/dbraw/zinc/29/32/21/1069293221.db2.gz PWOVMPXNYMBRHG-JCGIZDLHSA-N 1 1 411.524 -0.213 20 0 HBADMO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533520091 1069293058 /nfs/dbraw/zinc/29/30/58/1069293058.db2.gz PWOVMPXNYMBRHG-QGTPRVQTSA-N 1 1 411.524 -0.213 20 0 HBADMO COc1cccc(CNC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533520092 1069292968 /nfs/dbraw/zinc/29/29/68/1069292968.db2.gz PWOVMPXNYMBRHG-WBAXXEDZSA-N 1 1 411.524 -0.213 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000533520104 1069293232 /nfs/dbraw/zinc/29/32/32/1069293232.db2.gz RPLJNEOFTTYAJK-BBWFWOEESA-N 1 1 409.508 -0.806 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC[C@H]1Cc2ccccc2O1 ZINC000533520105 1069293077 /nfs/dbraw/zinc/29/30/77/1069293077.db2.gz RPLJNEOFTTYAJK-BRWVUGGUSA-N 1 1 409.508 -0.806 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000533520106 1069292992 /nfs/dbraw/zinc/29/29/92/1069292992.db2.gz RPLJNEOFTTYAJK-GVDBMIGSSA-N 1 1 409.508 -0.806 20 0 HBADMO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)NC[C@H]1Cc2ccccc2O1 ZINC000533520107 1069293167 /nfs/dbraw/zinc/29/31/67/1069293167.db2.gz RPLJNEOFTTYAJK-ZACQAIPSSA-N 1 1 409.508 -0.806 20 0 HBADMO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533530069 1069292012 /nfs/dbraw/zinc/29/20/12/1069292012.db2.gz FUILFSQNMJMXKC-CABCVRRESA-N 1 1 410.544 -0.301 20 0 HBADMO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533530074 1069291901 /nfs/dbraw/zinc/29/19/01/1069291901.db2.gz FUILFSQNMJMXKC-GJZGRUSLSA-N 1 1 410.544 -0.301 20 0 HBADMO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533530076 1069291790 /nfs/dbraw/zinc/29/17/90/1069291790.db2.gz FUILFSQNMJMXKC-HUUCEWRRSA-N 1 1 410.544 -0.301 20 0 HBADMO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000533530077 1069292041 /nfs/dbraw/zinc/29/20/41/1069292041.db2.gz FUILFSQNMJMXKC-LSDHHAIUSA-N 1 1 410.544 -0.301 20 0 HBADMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(CC(N)=O)CC1 ZINC000533537748 1068284273 /nfs/dbraw/zinc/28/42/73/1068284273.db2.gz AZBKBOSNLRUKCR-KRWDZBQOSA-N 1 1 403.527 -0.374 20 0 HBADMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCN(CC(N)=O)CC1 ZINC000533537749 1069294269 /nfs/dbraw/zinc/29/42/69/1069294269.db2.gz AZBKBOSNLRUKCR-QGZVFWFLSA-N 1 1 403.527 -0.374 20 0 HBADMO 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C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCCN1CC[NH+](CCO)CC1)C2=O ZINC000536177056 1068837227 /nfs/dbraw/zinc/83/72/27/1068837227.db2.gz SMUKMVSCLBPRJJ-DYESRHJHSA-N 1 1 423.558 -0.007 20 0 HBADMO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NCCCCN1CC[NH+](CCO)CC1)C2=O ZINC000536177060 1068837490 /nfs/dbraw/zinc/83/74/90/1068837490.db2.gz SMUKMVSCLBPRJJ-LAUBAEHRSA-N 1 1 423.558 -0.007 20 0 HBADMO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCCN1CC[NH+](CCO)CC1)C2=O ZINC000536177061 1068837792 /nfs/dbraw/zinc/83/77/92/1068837792.db2.gz SMUKMVSCLBPRJJ-UTKZUKDTSA-N 1 1 423.558 -0.007 20 0 HBADMO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NCCCCN1CC[NH+](CCO)CC1)C2=O ZINC000536177062 1068837635 /nfs/dbraw/zinc/83/76/35/1068837635.db2.gz SMUKMVSCLBPRJJ-UWJYYQICSA-N 1 1 423.558 -0.007 20 0 HBADMO O=C(CN1CCN(c2ccccn2)CC1)NCCCCN1CC[NH+](CCO)CC1 ZINC000536177063 1068837351 /nfs/dbraw/zinc/83/73/51/1068837351.db2.gz SNQIEFZNWQWSHM-UHFFFAOYSA-N 1 1 404.559 -0.290 20 0 HBADMO CC1CCC2(CC1)NC(=O)N(CC(=O)NCCCCN1CC[NH+](CCO)CC1)C2=O ZINC000536179152 1068838197 /nfs/dbraw/zinc/83/81/97/1068838197.db2.gz HKGOWNDYTRNDGU-UHFFFAOYSA-N 1 1 423.558 -0.007 20 0 HBADMO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1S(C)(=O)=O ZINC000536196129 1068840986 /nfs/dbraw/zinc/84/09/86/1068840986.db2.gz DCNWMIYJEHALIQ-UHFFFAOYSA-N 1 1 424.523 -0.040 20 0 HBADMO CC[C@@H](CO)N1CCN(C(=O)CCCC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)CC1 ZINC000536224759 1069202558 /nfs/dbraw/zinc/20/25/58/1069202558.db2.gz GVLRHIDSBZLMGA-OALUTQOASA-N 1 1 412.575 -0.013 20 0 HBADMO CC[C@H](CO)N1CCN(C(=O)CCCC(=O)N2CC[NH+]([C@H](CC)CO)CC2)CC1 ZINC000536224761 1069202478 /nfs/dbraw/zinc/20/24/78/1069202478.db2.gz GVLRHIDSBZLMGA-RTBURBONSA-N 1 1 412.575 -0.013 20 0 HBADMO COC(=O)Cn1cc(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nn1 ZINC000536314132 1070641195 /nfs/dbraw/zinc/64/11/95/1070641195.db2.gz FIGBRNTWULKSMU-DLBZAZTESA-N 1 1 402.455 -0.114 20 0 HBADMO COC(=O)Cn1cc(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)nn1 ZINC000536314142 1070641215 /nfs/dbraw/zinc/64/12/15/1070641215.db2.gz FIGBRNTWULKSMU-IAGOWNOFSA-N 1 1 402.455 -0.114 20 0 HBADMO COC(=O)Cn1cc(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nn1 ZINC000536314143 1070641297 /nfs/dbraw/zinc/64/12/97/1070641297.db2.gz FIGBRNTWULKSMU-IRXDYDNUSA-N 1 1 402.455 -0.114 20 0 HBADMO COC(=O)Cn1cc(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)nn1 ZINC000536314144 1070641303 /nfs/dbraw/zinc/64/13/03/1070641303.db2.gz FIGBRNTWULKSMU-SJORKVTESA-N 1 1 402.455 -0.114 20 0 HBADMO CCN(CC(=O)NCc1cccs1)C(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000536340633 1070647899 /nfs/dbraw/zinc/64/78/99/1070647899.db2.gz DYBKWQLPLZIEIE-UHFFFAOYSA-N 1 1 407.496 -0.113 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000536341178 1070647023 /nfs/dbraw/zinc/64/70/23/1070647023.db2.gz OCUBZXIIWLIERN-CYBMUJFWSA-N 1 1 415.498 -0.010 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000536341185 1070648094 /nfs/dbraw/zinc/64/80/94/1070648094.db2.gz OCUBZXIIWLIERN-ZDUSSCGKSA-N 1 1 415.498 -0.010 20 0 HBADMO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000536341824 1070648040 /nfs/dbraw/zinc/64/80/40/1070648040.db2.gz TWCRHGQKEUHAAJ-GFCCVEGCSA-N 1 1 423.495 -0.062 20 0 HBADMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000536341828 1070647837 /nfs/dbraw/zinc/64/78/37/1070647837.db2.gz TWCRHGQKEUHAAJ-LBPRGKRZSA-N 1 1 423.495 -0.062 20 0 HBADMO Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345970 1070649752 /nfs/dbraw/zinc/64/97/52/1070649752.db2.gz OHKRLQTXULNWIX-DLBZAZTESA-N 1 1 423.473 -0.003 20 0 HBADMO Cn1c(=O)c2cc(C(=O)NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345971 1070649568 /nfs/dbraw/zinc/64/95/68/1070649568.db2.gz OHKRLQTXULNWIX-IAGOWNOFSA-N 1 1 423.473 -0.003 20 0 HBADMO Cn1c(=O)c2cc(C(=O)NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345972 1070650443 /nfs/dbraw/zinc/65/04/43/1070650443.db2.gz OHKRLQTXULNWIX-IRXDYDNUSA-N 1 1 423.473 -0.003 20 0 HBADMO Cn1c(=O)c2cc(C(=O)NC[C@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)cnc2n(C)c1=O ZINC000536345973 1070650381 /nfs/dbraw/zinc/65/03/81/1070650381.db2.gz OHKRLQTXULNWIX-SJORKVTESA-N 1 1 423.473 -0.003 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536346527 1070649731 /nfs/dbraw/zinc/64/97/31/1070649731.db2.gz SHZMBLYKZWUPSY-BHYGNILZSA-N 1 1 421.523 -0.162 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536346528 1070649453 /nfs/dbraw/zinc/64/94/53/1070649453.db2.gz SHZMBLYKZWUPSY-UAGQMJEPSA-N 1 1 421.523 -0.162 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000536346529 1070649667 /nfs/dbraw/zinc/64/96/67/1070649667.db2.gz SHZMBLYKZWUPSY-USXIJHARSA-N 1 1 421.523 -0.162 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000536346530 1070649645 /nfs/dbraw/zinc/64/96/45/1070649645.db2.gz SHZMBLYKZWUPSY-XIRDDKMYSA-N 1 1 421.523 -0.162 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000536349117 1070650420 /nfs/dbraw/zinc/65/04/20/1070650420.db2.gz IKOKKVLCSSTYKS-DLBZAZTESA-N 1 1 421.523 -0.242 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000536349121 1070650472 /nfs/dbraw/zinc/65/04/72/1070650472.db2.gz IKOKKVLCSSTYKS-IAGOWNOFSA-N 1 1 421.523 -0.242 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000536349123 1070650215 /nfs/dbraw/zinc/65/02/15/1070650215.db2.gz IKOKKVLCSSTYKS-IRXDYDNUSA-N 1 1 421.523 -0.242 20 0 HBADMO Cc1nc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cn1C ZINC000536349125 1070650408 /nfs/dbraw/zinc/65/04/08/1070650408.db2.gz IKOKKVLCSSTYKS-SJORKVTESA-N 1 1 421.523 -0.242 20 0 HBADMO COc1ccccc1N(CCC(N)=O)C(=O)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000536361725 1070652013 /nfs/dbraw/zinc/65/20/13/1070652013.db2.gz PXUJRIHYLXGLQC-UHFFFAOYSA-N 1 1 417.466 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COCCO[C@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000536373443 1069740984 /nfs/dbraw/zinc/74/09/84/1069740984.db2.gz FYRKWAHJSHJEEN-SFHVURJKSA-N 1 1 412.531 -0.883 20 0 HBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000536431169 1070662905 /nfs/dbraw/zinc/66/29/05/1070662905.db2.gz ILXWKSGKACBGFK-AEFFLSMTSA-N 1 1 421.523 -0.302 20 0 HBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000536431170 1070662924 /nfs/dbraw/zinc/66/29/24/1070662924.db2.gz ILXWKSGKACBGFK-FUHWJXTLSA-N 1 1 421.523 -0.302 20 0 HBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000536431171 1068636721 /nfs/dbraw/zinc/63/67/21/1068636721.db2.gz ILXWKSGKACBGFK-SJLPKXTDSA-N 1 1 421.523 -0.302 20 0 HBADMO Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000536431172 1070662940 /nfs/dbraw/zinc/66/29/40/1070662940.db2.gz ILXWKSGKACBGFK-WMZOPIPTSA-N 1 1 421.523 -0.302 20 0 HBADMO 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20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000539381265 1069761907 /nfs/dbraw/zinc/76/19/07/1069761907.db2.gz PNNLTLROVFMHHL-QWHCGFSZSA-N 1 1 401.489 -0.817 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000539381265 1069761895 /nfs/dbraw/zinc/76/18/95/1069761895.db2.gz PNNLTLROVFMHHL-QWHCGFSZSA-N 1 1 401.489 -0.817 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000539381266 1069761818 /nfs/dbraw/zinc/76/18/18/1069761818.db2.gz PNNLTLROVFMHHL-STQMWFEESA-N 1 1 401.489 -0.817 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000539381266 1069761811 /nfs/dbraw/zinc/76/18/11/1069761811.db2.gz PNNLTLROVFMHHL-STQMWFEESA-N 1 1 401.489 -0.817 20 0 HBADMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000539481318 1071271658 /nfs/dbraw/zinc/27/16/58/1071271658.db2.gz GHKOURIWFHLQRX-UHFFFAOYSA-N 1 1 420.514 -0.508 20 0 HBADMO 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ZINC000540297139 1071338832 /nfs/dbraw/zinc/33/88/32/1071338832.db2.gz MHAFJJWHCSCVOY-UHFFFAOYSA-N 1 1 423.514 -0.471 20 0 HBADMO CCNC(=O)C1CN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)C1 ZINC000540299616 1071339788 /nfs/dbraw/zinc/33/97/88/1071339788.db2.gz OAGOGJHGAMPCOY-UHFFFAOYSA-N 1 1 417.510 -0.154 20 0 HBADMO CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1C ZINC000540304582 1071342180 /nfs/dbraw/zinc/34/21/80/1071342180.db2.gz PAWVHKRIBSOQOE-HNNXBMFYSA-N 1 1 419.482 -0.095 20 0 HBADMO CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1C ZINC000540304583 1071342400 /nfs/dbraw/zinc/34/24/00/1071342400.db2.gz PAWVHKRIBSOQOE-OAHLLOKOSA-N 1 1 419.482 -0.095 20 0 HBADMO COC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1C ZINC000540304595 1071342321 /nfs/dbraw/zinc/34/23/21/1071342321.db2.gz PECFLZKMFBYZCP-AWEZNQCLSA-N 1 1 405.455 -0.485 20 0 HBADMO COC(=O)c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1C ZINC000540304596 1071342215 /nfs/dbraw/zinc/34/22/15/1071342215.db2.gz PECFLZKMFBYZCP-CQSZACIVSA-N 1 1 405.455 -0.485 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000540349184 1071346599 /nfs/dbraw/zinc/34/65/99/1071346599.db2.gz VPPBDMHZQJTCLS-KRWDZBQOSA-N 1 1 419.530 -0.123 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000540349184 1071346585 /nfs/dbraw/zinc/34/65/85/1071346585.db2.gz VPPBDMHZQJTCLS-KRWDZBQOSA-N 1 1 419.530 -0.123 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000540349185 1071346411 /nfs/dbraw/zinc/34/64/11/1071346411.db2.gz VPPBDMHZQJTCLS-QGZVFWFLSA-N 1 1 419.530 -0.123 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000540349185 1071346393 /nfs/dbraw/zinc/34/63/93/1071346393.db2.gz VPPBDMHZQJTCLS-QGZVFWFLSA-N 1 1 419.530 -0.123 20 0 HBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000540351865 1071345328 /nfs/dbraw/zinc/34/53/28/1071345328.db2.gz QOJQYBTZQJBQCS-OBJOEFQTSA-N 1 1 403.526 -0.063 20 0 HBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000540351866 1071345351 /nfs/dbraw/zinc/34/53/51/1071345351.db2.gz QOJQYBTZQJBQCS-OUCADQQQSA-N 1 1 403.526 -0.063 20 0 HBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000540351867 1071345460 /nfs/dbraw/zinc/34/54/60/1071345460.db2.gz QOJQYBTZQJBQCS-SCRDCRAPSA-N 1 1 403.526 -0.063 20 0 HBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000540351868 1071345304 /nfs/dbraw/zinc/34/53/04/1071345304.db2.gz QOJQYBTZQJBQCS-SGMGOOAPSA-N 1 1 403.526 -0.063 20 0 HBADMO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)c(=O)[nH]c1=O ZINC000540352204 1071345450 /nfs/dbraw/zinc/34/54/50/1071345450.db2.gz SDBVIZBMOQKVSO-JTQLQIEISA-N 1 1 409.468 -0.007 20 0 HBADMO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)c(=O)[nH]c1=O ZINC000540352205 1071345368 /nfs/dbraw/zinc/34/53/68/1071345368.db2.gz SDBVIZBMOQKVSO-SNVBAGLBSA-N 1 1 409.468 -0.007 20 0 HBADMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000540352220 1071345266 /nfs/dbraw/zinc/34/52/66/1071345266.db2.gz SYWWBPILEADPLD-JTQLQIEISA-N 1 1 409.468 -0.892 20 0 HBADMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 ZINC000540352221 1071345421 /nfs/dbraw/zinc/34/54/21/1071345421.db2.gz SYWWBPILEADPLD-SNVBAGLBSA-N 1 1 409.468 -0.892 20 0 HBADMO CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c(=O)[nH]c1=O ZINC000540363246 1071348619 /nfs/dbraw/zinc/34/86/19/1071348619.db2.gz ORIZYFLLZQGRRL-JTQLQIEISA-N 1 1 409.468 -0.007 20 0 HBADMO CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)c(=O)[nH]c1=O ZINC000540363248 1071348765 /nfs/dbraw/zinc/34/87/65/1071348765.db2.gz ORIZYFLLZQGRRL-SNVBAGLBSA-N 1 1 409.468 -0.007 20 0 HBADMO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000540372396 1071347254 /nfs/dbraw/zinc/34/72/54/1071347254.db2.gz QVERWYDFBPLIKT-CYBMUJFWSA-N 1 1 403.418 -0.079 20 0 HBADMO O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000540372397 1071347000 /nfs/dbraw/zinc/34/70/00/1071347000.db2.gz QVERWYDFBPLIKT-ZDUSSCGKSA-N 1 1 403.418 -0.079 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540373907 1071347773 /nfs/dbraw/zinc/34/77/73/1071347773.db2.gz VTSDOJSHUZBEJP-UHFFFAOYSA-N 1 1 418.433 -0.638 20 0 HBADMO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCCO ZINC000540379979 1071352269 /nfs/dbraw/zinc/35/22/69/1071352269.db2.gz RTPZASCQFZCRDO-NEPJUHHUSA-N 1 1 420.466 -0.032 20 0 HBADMO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCCO ZINC000540379983 1071352248 /nfs/dbraw/zinc/35/22/48/1071352248.db2.gz RTPZASCQFZCRDO-NWDGAFQWSA-N 1 1 420.466 -0.032 20 0 HBADMO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCCO ZINC000540379986 1071352116 /nfs/dbraw/zinc/35/21/16/1071352116.db2.gz RTPZASCQFZCRDO-RYUDHWBXSA-N 1 1 420.466 -0.032 20 0 HBADMO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCCO ZINC000540379989 1071352226 /nfs/dbraw/zinc/35/22/26/1071352226.db2.gz RTPZASCQFZCRDO-VXGBXAGGSA-N 1 1 420.466 -0.032 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000540383156 1071349250 /nfs/dbraw/zinc/34/92/50/1071349250.db2.gz IRDUOHQFLRFODI-AWEZNQCLSA-N 1 1 404.533 -0.063 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000540383156 1071349243 /nfs/dbraw/zinc/34/92/43/1071349243.db2.gz IRDUOHQFLRFODI-AWEZNQCLSA-N 1 1 404.533 -0.063 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000540383157 1071349178 /nfs/dbraw/zinc/34/91/78/1071349178.db2.gz IRDUOHQFLRFODI-CQSZACIVSA-N 1 1 404.533 -0.063 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000540383157 1071349173 /nfs/dbraw/zinc/34/91/73/1071349173.db2.gz IRDUOHQFLRFODI-CQSZACIVSA-N 1 1 404.533 -0.063 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CC1 ZINC000540383684 1071349748 /nfs/dbraw/zinc/34/97/48/1071349748.db2.gz VIVZJYVGOHUUDO-UHFFFAOYSA-N 1 1 421.502 -0.404 20 0 HBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000540387768 1071350205 /nfs/dbraw/zinc/35/02/05/1071350205.db2.gz HBMPAMZIXVOUPK-CYBMUJFWSA-N 1 1 421.502 -0.451 20 0 HBADMO COc1ncnc(N(C)C)c1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000540387772 1071350267 /nfs/dbraw/zinc/35/02/67/1071350267.db2.gz HBMPAMZIXVOUPK-ZDUSSCGKSA-N 1 1 421.502 -0.451 20 0 HBADMO COC(=O)CC[N@H+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000540420258 1071354590 /nfs/dbraw/zinc/35/45/90/1071354590.db2.gz KHKOUHGSJZAPKD-AWEZNQCLSA-N 1 1 423.514 -0.463 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@@H](C)C1 ZINC000540420258 1071354571 /nfs/dbraw/zinc/35/45/71/1071354571.db2.gz KHKOUHGSJZAPKD-AWEZNQCLSA-N 1 1 423.514 -0.463 20 0 HBADMO COC(=O)CC[N@H+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000540420260 1071354668 /nfs/dbraw/zinc/35/46/68/1071354668.db2.gz KHKOUHGSJZAPKD-CQSZACIVSA-N 1 1 423.514 -0.463 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)[C@H](C)C1 ZINC000540420260 1071354652 /nfs/dbraw/zinc/35/46/52/1071354652.db2.gz KHKOUHGSJZAPKD-CQSZACIVSA-N 1 1 423.514 -0.463 20 0 HBADMO COC(=O)CC[N@H+]1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@@H](C)C1 ZINC000540421738 1071354964 /nfs/dbraw/zinc/35/49/64/1071354964.db2.gz KBNWGIVWDVQYHT-AWEZNQCLSA-N 1 1 424.523 -0.208 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@@H](C)C1 ZINC000540421738 1071354950 /nfs/dbraw/zinc/35/49/50/1071354950.db2.gz KBNWGIVWDVQYHT-AWEZNQCLSA-N 1 1 424.523 -0.208 20 0 HBADMO COC(=O)CC[N@H+]1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@H](C)C1 ZINC000540421765 1071354541 /nfs/dbraw/zinc/35/45/41/1071354541.db2.gz KBNWGIVWDVQYHT-CQSZACIVSA-N 1 1 424.523 -0.208 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)[C@H](C)C1 ZINC000540421765 1071354533 /nfs/dbraw/zinc/35/45/33/1071354533.db2.gz KBNWGIVWDVQYHT-CQSZACIVSA-N 1 1 424.523 -0.208 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000540436809 1071355872 /nfs/dbraw/zinc/35/58/72/1071355872.db2.gz NUTJAXPBKSISBC-UHFFFAOYSA-N 1 1 410.496 -0.096 20 0 HBADMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000540452466 1071356891 /nfs/dbraw/zinc/35/68/91/1071356891.db2.gz NKXRXDKBGFLPLZ-UHFFFAOYSA-N 1 1 423.539 -0.181 20 0 HBADMO O=C1COc2ccc(S(=O)(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc2N1 ZINC000540464937 1071356974 /nfs/dbraw/zinc/35/69/74/1071356974.db2.gz YJHLVYMMNCMKAM-UHFFFAOYSA-N 1 1 411.480 -0.135 20 0 HBADMO O=C1NCCc2ccc(S(=O)(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc21 ZINC000540465084 1071356800 /nfs/dbraw/zinc/35/68/00/1071356800.db2.gz CEXYKVHSOGKYBR-UHFFFAOYSA-N 1 1 409.508 -0.180 20 0 HBADMO CN1C(=O)c2ccc(S(=O)(=O)N3CCC(O)(C[NH+]4CCOCC4)CC3)cc2C1=O ZINC000540465544 1071356821 /nfs/dbraw/zinc/35/68/21/1071356821.db2.gz LLQPKCULRPBSGA-UHFFFAOYSA-N 1 1 423.491 -0.240 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)[C@H](C)C1 ZINC000540478228 1071357881 /nfs/dbraw/zinc/35/78/81/1071357881.db2.gz FLHKOWGNRJWEDH-GFCCVEGCSA-N 1 1 401.489 -0.897 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)[C@H](C)C1 ZINC000540478228 1071357874 /nfs/dbraw/zinc/35/78/74/1071357874.db2.gz FLHKOWGNRJWEDH-GFCCVEGCSA-N 1 1 401.489 -0.897 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)[C@@H](C)C1 ZINC000540478229 1071358134 /nfs/dbraw/zinc/35/81/34/1071358134.db2.gz FLHKOWGNRJWEDH-LBPRGKRZSA-N 1 1 401.489 -0.897 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2cn(C)c(C)n2)[C@@H](C)C1 ZINC000540478229 1071358116 /nfs/dbraw/zinc/35/81/16/1071358116.db2.gz FLHKOWGNRJWEDH-LBPRGKRZSA-N 1 1 401.489 -0.897 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478568 1071357677 /nfs/dbraw/zinc/35/76/77/1071357677.db2.gz MNZWJOFMJLBROW-MSOLQXFVSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478568 1071357666 /nfs/dbraw/zinc/35/76/66/1071357666.db2.gz MNZWJOFMJLBROW-MSOLQXFVSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478569 1071358047 /nfs/dbraw/zinc/35/80/47/1071358047.db2.gz MNZWJOFMJLBROW-QZTJIDSGSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000540478569 1071358044 /nfs/dbraw/zinc/35/80/44/1071358044.db2.gz MNZWJOFMJLBROW-QZTJIDSGSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478570 1071357993 /nfs/dbraw/zinc/35/79/93/1071357993.db2.gz MNZWJOFMJLBROW-ROUUACIJSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478570 1071357978 /nfs/dbraw/zinc/35/79/78/1071357978.db2.gz MNZWJOFMJLBROW-ROUUACIJSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478571 1071357777 /nfs/dbraw/zinc/35/77/77/1071357777.db2.gz MNZWJOFMJLBROW-ZWKOTPCHSA-N 1 1 424.542 -0.205 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000540478571 1071357758 /nfs/dbraw/zinc/35/77/58/1071357758.db2.gz MNZWJOFMJLBROW-ZWKOTPCHSA-N 1 1 424.542 -0.205 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000540480264 1071358758 /nfs/dbraw/zinc/35/87/58/1071358758.db2.gz LEFUNDRWHDFFCH-CYBMUJFWSA-N 1 1 416.500 -0.351 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)c1 ZINC000540480264 1071358741 /nfs/dbraw/zinc/35/87/41/1071358741.db2.gz LEFUNDRWHDFFCH-CYBMUJFWSA-N 1 1 416.500 -0.351 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000540480266 1071358510 /nfs/dbraw/zinc/35/85/10/1071358510.db2.gz LEFUNDRWHDFFCH-ZDUSSCGKSA-N 1 1 416.500 -0.351 20 0 HBADMO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)c1 ZINC000540480266 1071358497 /nfs/dbraw/zinc/35/84/97/1071358497.db2.gz LEFUNDRWHDFFCH-ZDUSSCGKSA-N 1 1 416.500 -0.351 20 0 HBADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN(CC(N)=O)CC3)CC2)cc1 ZINC000540551445 1071367441 /nfs/dbraw/zinc/36/74/41/1071367441.db2.gz KNJJZWGZCZEQPY-UHFFFAOYSA-N 1 1 403.527 -0.168 20 0 HBADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)C(=O)NC[C@H]4C3)CC2)cc1 ZINC000540552650 1071368611 /nfs/dbraw/zinc/36/86/11/1071368611.db2.gz WUAHWMZZXPEPFK-IBGZPJMESA-N 1 1 413.522 -0.328 20 0 HBADMO Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN4C(=O)C(=O)NC[C@@H]4C3)CC2)cc1 ZINC000540552651 1071368752 /nfs/dbraw/zinc/36/87/52/1071368752.db2.gz WUAHWMZZXPEPFK-LJQANCHMSA-N 1 1 413.522 -0.328 20 0 HBADMO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000540579497 1071370226 /nfs/dbraw/zinc/37/02/26/1071370226.db2.gz QTRXTVFXYDEJPN-INIZCTEOSA-N 1 1 400.483 -0.286 20 0 HBADMO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)ccn2)CC1 ZINC000540579499 1071370113 /nfs/dbraw/zinc/37/01/13/1071370113.db2.gz QTRXTVFXYDEJPN-MRXNPFEDSA-N 1 1 400.483 -0.286 20 0 HBADMO COc1c(C)c[nH+]c(Cn2cnc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)n2)c1C ZINC000540595559 1071371010 /nfs/dbraw/zinc/37/10/10/1071371010.db2.gz BEZFWZPOQHJDEQ-UHFFFAOYSA-N 1 1 420.455 -0.171 20 0 HBADMO C[N@@H+](CCN1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1)Cc1ccccc1 ZINC000540596541 1071370831 /nfs/dbraw/zinc/37/08/31/1071370831.db2.gz PRUIYLHLTZHFDA-UHFFFAOYSA-N 1 1 420.539 -0.193 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000540598839 1071371596 /nfs/dbraw/zinc/37/15/96/1071371596.db2.gz QVBNJKKFJAFBLX-UHFFFAOYSA-N 1 1 420.495 -0.514 20 0 HBADMO Cc1oc(S(N)(=O)=O)cc1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000540599639 1071371688 /nfs/dbraw/zinc/37/16/88/1071371688.db2.gz MUIVPQYJXVDWHC-UHFFFAOYSA-N 1 1 408.484 -0.032 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000540600239 1071371425 /nfs/dbraw/zinc/37/14/25/1071371425.db2.gz ARDXCRROZYOUCU-HNNXBMFYSA-N 1 1 406.468 -0.381 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000540600239 1071371414 /nfs/dbraw/zinc/37/14/14/1071371414.db2.gz ARDXCRROZYOUCU-HNNXBMFYSA-N 1 1 406.468 -0.381 20 0 HBADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000540600240 1071371627 /nfs/dbraw/zinc/37/16/27/1071371627.db2.gz ARDXCRROZYOUCU-OAHLLOKOSA-N 1 1 406.468 -0.381 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1 ZINC000540600240 1071371617 /nfs/dbraw/zinc/37/16/17/1071371617.db2.gz ARDXCRROZYOUCU-OAHLLOKOSA-N 1 1 406.468 -0.381 20 0 HBADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000540600503 1071371514 /nfs/dbraw/zinc/37/15/14/1071371514.db2.gz ISOVUHNGJYWCIJ-UHFFFAOYSA-N 1 1 420.539 -0.016 20 0 HBADMO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000540612451 1071372915 /nfs/dbraw/zinc/37/29/15/1071372915.db2.gz LYPRXVXRFLVKTQ-INIZCTEOSA-N 1 1 412.512 -0.631 20 0 HBADMO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000540612455 1071372837 /nfs/dbraw/zinc/37/28/37/1071372837.db2.gz LYPRXVXRFLVKTQ-MRXNPFEDSA-N 1 1 412.512 -0.631 20 0 HBADMO NS(=O)(=O)c1cnn(CC(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)c1 ZINC000540615327 1071373790 /nfs/dbraw/zinc/37/37/90/1071373790.db2.gz UJBJQEBKSOQMSJ-UHFFFAOYSA-N 1 1 413.422 -0.356 20 0 HBADMO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000540625925 1071374900 /nfs/dbraw/zinc/37/49/00/1071374900.db2.gz XLORCDVNANRSLR-UHFFFAOYSA-N 1 1 412.512 -0.807 20 0 HBADMO CN1CC[NH+](CCOc2ccc(NC(=O)Cn3cc(S(N)(=O)=O)cn3)cc2)CC1 ZINC000540625986 1071374964 /nfs/dbraw/zinc/37/49/64/1071374964.db2.gz GXJKHFXOUXQENR-UHFFFAOYSA-N 1 1 422.511 -0.205 20 0 HBADMO C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 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/nfs/dbraw/zinc/43/74/58/1071437458.db2.gz ZXZIHGTZGLNVHE-JKSUJKDBSA-N 1 1 419.530 -0.202 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000541191382 1071436730 /nfs/dbraw/zinc/43/67/30/1071436730.db2.gz WTPNADPUXUZRNP-INIZCTEOSA-N 1 1 419.530 -0.283 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000541191383 1071436794 /nfs/dbraw/zinc/43/67/94/1071436794.db2.gz WTPNADPUXUZRNP-MRXNPFEDSA-N 1 1 419.530 -0.283 20 0 HBADMO Cn1ccnc1CN1CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000541193744 1071436871 /nfs/dbraw/zinc/43/68/71/1071436871.db2.gz KVLXTVPBZIHRRR-BEFAXECRSA-N 1 1 408.503 -0.707 20 0 HBADMO Cn1ccnc1CN1CCC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000541193748 1071436694 /nfs/dbraw/zinc/43/66/94/1071436694.db2.gz KVLXTVPBZIHRRR-DNVCBOLYSA-N 1 1 408.503 -0.707 20 0 HBADMO Cn1ccnc1CN1CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000541193749 1071436808 /nfs/dbraw/zinc/43/68/08/1071436808.db2.gz KVLXTVPBZIHRRR-HNAYVOBHSA-N 1 1 408.503 -0.707 20 0 HBADMO Cn1ccnc1CN1CCC[C@H](NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)C1=O ZINC000541193750 1071436769 /nfs/dbraw/zinc/43/67/69/1071436769.db2.gz KVLXTVPBZIHRRR-KXBFYZLASA-N 1 1 408.503 -0.707 20 0 HBADMO Cc1ccc(C[N@@H+](CCO)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000541204781 1071439028 /nfs/dbraw/zinc/43/90/28/1071439028.db2.gz VPYRFPBZNQROEV-UHFFFAOYSA-N 1 1 418.538 -0.208 20 0 HBADMO Cc1ccc(C[N@H+](CCO)CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1 ZINC000541204781 1071439021 /nfs/dbraw/zinc/43/90/21/1071439021.db2.gz VPYRFPBZNQROEV-UHFFFAOYSA-N 1 1 418.538 -0.208 20 0 HBADMO CC[C@@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541205721 1071438856 /nfs/dbraw/zinc/43/88/56/1071438856.db2.gz NKCWFDMVSYPGJJ-GFCCVEGCSA-N 1 1 409.468 -0.763 20 0 HBADMO CC[C@H]([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(S(N)(=O)=O)c1 ZINC000541205722 1071438935 /nfs/dbraw/zinc/43/89/35/1071438935.db2.gz NKCWFDMVSYPGJJ-LBPRGKRZSA-N 1 1 409.468 -0.763 20 0 HBADMO O=C(c1ccccc1)N1CC(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000541309941 1071443415 /nfs/dbraw/zinc/44/34/15/1071443415.db2.gz ROVQFBAWLGNTKN-UHFFFAOYSA-N 1 1 423.535 0.000 20 0 HBADMO CNC(=O)C1CCC(Nc2nc(NC)nc(NC3CCC(C(=O)NC)CC3)[nH+]2)CC1 ZINC000541594176 1071460590 /nfs/dbraw/zinc/46/05/90/1071460590.db2.gz UAEJMVCEWPZCEJ-UHFFFAOYSA-N 1 1 418.546 -0.388 20 0 HBADMO COCC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccco1 ZINC000541600661 1071460547 /nfs/dbraw/zinc/46/05/47/1071460547.db2.gz QTDBASXRLCMSIM-KRWDZBQOSA-N 1 1 408.499 -0.050 20 0 HBADMO COCC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccco1 ZINC000541600662 1071460456 /nfs/dbraw/zinc/46/04/56/1071460456.db2.gz QTDBASXRLCMSIM-QGZVFWFLSA-N 1 1 408.499 -0.050 20 0 HBADMO NC(=O)C1([NH2+]CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 ZINC000541619951 1071463115 /nfs/dbraw/zinc/46/31/15/1071463115.db2.gz DLTAWKAWFAPONJ-UHFFFAOYSA-N 1 1 402.423 -0.595 20 0 HBADMO C[C@H](NCC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643121 1071463752 /nfs/dbraw/zinc/46/37/52/1071463752.db2.gz OKCANWUPOJOFDU-HOTGVXAUSA-N 1 1 416.530 -0.174 20 0 HBADMO C[C@@H](NCC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C)c2)CC1)c1cnn(C)c1 ZINC000541643123 1071463877 /nfs/dbraw/zinc/46/38/77/1071463877.db2.gz OKCANWUPOJOFDU-HZPDHXFCSA-N 1 1 416.530 -0.174 20 0 HBADMO CN(CCCNC(=O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1)S(C)(=O)=O ZINC000541662926 1071464659 /nfs/dbraw/zinc/46/46/59/1071464659.db2.gz RGSVNPZWPSBIBZ-UHFFFAOYSA-N 1 1 417.620 -0.266 20 0 HBADMO CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000541665046 1071465205 /nfs/dbraw/zinc/46/52/05/1071465205.db2.gz HRPLFFNYYAQAHH-UHFFFAOYSA-N 1 1 422.618 -0.432 20 0 HBADMO CN(C(=O)c1cnc2c(c1)nnn2C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000541665237 1071465232 /nfs/dbraw/zinc/46/52/32/1071465232.db2.gz IWKRSYPXYBETHL-UHFFFAOYSA-N 1 1 414.514 -0.326 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000541669263 1071469925 /nfs/dbraw/zinc/46/99/25/1071469925.db2.gz HRXHLDZFLYDASB-UHFFFAOYSA-N 1 1 403.483 -0.851 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCN(CCO)CC3)cc2)CC1 ZINC000541670354 1071466865 /nfs/dbraw/zinc/46/68/65/1071466865.db2.gz YZLKOAQNLCWYGQ-UHFFFAOYSA-N 1 1 417.510 -0.922 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000541696533 1071470696 /nfs/dbraw/zinc/47/06/96/1071470696.db2.gz DOGCTWSPLYQOIK-AWEZNQCLSA-N 1 1 424.523 -0.138 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000541696993 1071471513 /nfs/dbraw/zinc/47/15/13/1071471513.db2.gz DOGCTWSPLYQOIK-CQSZACIVSA-N 1 1 424.523 -0.138 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000541699274 1071471286 /nfs/dbraw/zinc/47/12/86/1071471286.db2.gz DBPYKPQVAUINDV-HNNXBMFYSA-N 1 1 410.496 -0.097 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000541699275 1071471394 /nfs/dbraw/zinc/47/13/94/1071471394.db2.gz DBPYKPQVAUINDV-OAHLLOKOSA-N 1 1 410.496 -0.097 20 0 HBADMO CCN1CCN(C(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CC1=O ZINC000541712415 1071472403 /nfs/dbraw/zinc/47/24/03/1071472403.db2.gz SRPBNNJQJPFINR-UHFFFAOYSA-N 1 1 417.510 -0.058 20 0 HBADMO CCN1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC1=O ZINC000541716023 1071474821 /nfs/dbraw/zinc/47/48/21/1071474821.db2.gz OSHCAUJMBUOKFA-UHFFFAOYSA-N 1 1 415.494 -0.368 20 0 HBADMO O=C(Cn1c[nH+]c2c1CCCC2)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000541777911 1071477980 /nfs/dbraw/zinc/47/79/80/1071477980.db2.gz PVWLAMLBUNNHSD-UHFFFAOYSA-N 1 1 411.528 -0.081 20 0 HBADMO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)nn1 ZINC000541837106 1071482522 /nfs/dbraw/zinc/48/25/22/1071482522.db2.gz BQXYRHVUFSCZGE-AWEZNQCLSA-N 1 1 421.502 -0.001 20 0 HBADMO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)CC2)nn1 ZINC000541837110 1071482808 /nfs/dbraw/zinc/48/28/08/1071482808.db2.gz BQXYRHVUFSCZGE-CQSZACIVSA-N 1 1 421.502 -0.001 20 0 HBADMO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)nn1 ZINC000541839303 1071482548 /nfs/dbraw/zinc/48/25/48/1071482548.db2.gz LBTDSIICESNAOE-HNNXBMFYSA-N 1 1 407.475 -0.249 20 0 HBADMO COC(=O)c1cn(C2CCN(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)nn1 ZINC000541839304 1071482606 /nfs/dbraw/zinc/48/26/06/1071482606.db2.gz LBTDSIICESNAOE-OAHLLOKOSA-N 1 1 407.475 -0.249 20 0 HBADMO O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CCS(=O)(=O)CC1 ZINC000541913168 1071487815 /nfs/dbraw/zinc/48/78/15/1071487815.db2.gz ZVMRBWLIPVUQBQ-INIZCTEOSA-N 1 1 403.526 -0.682 20 0 HBADMO O=S(=O)(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CCS(=O)(=O)CC1 ZINC000541913169 1071487910 /nfs/dbraw/zinc/48/79/10/1071487910.db2.gz ZVMRBWLIPVUQBQ-MRXNPFEDSA-N 1 1 403.526 -0.682 20 0 HBADMO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541917590 1071489529 /nfs/dbraw/zinc/48/95/29/1071489529.db2.gz AMHLQCSSYPOENU-INIZCTEOSA-N 1 1 405.542 -0.388 20 0 HBADMO CCS(=O)(=O)NCCS(=O)(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541917591 1071489361 /nfs/dbraw/zinc/48/93/61/1071489361.db2.gz AMHLQCSSYPOENU-MRXNPFEDSA-N 1 1 405.542 -0.388 20 0 HBADMO CNC(=O)[C@@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000541918299 1071488936 /nfs/dbraw/zinc/48/89/36/1071488936.db2.gz XHAVRIRUYHNKOT-KRWDZBQOSA-N 1 1 403.483 -0.269 20 0 HBADMO CNC(=O)[C@H]1CN(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCO1 ZINC000541918300 1071488923 /nfs/dbraw/zinc/48/89/23/1071488923.db2.gz XHAVRIRUYHNKOT-QGZVFWFLSA-N 1 1 403.483 -0.269 20 0 HBADMO Cc1cc(=O)n(C)cc1NC(=O)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000541957313 1071493911 /nfs/dbraw/zinc/49/39/11/1071493911.db2.gz IVZOQNFFAMIKPC-UHFFFAOYSA-N 1 1 413.482 -0.249 20 0 HBADMO COc1ccc(C(=O)NCCCCN2CC[NH+](CCO)CC2)cc1-n1cnnn1 ZINC000541958331 1071493972 /nfs/dbraw/zinc/49/39/72/1071493972.db2.gz XGYQSBCTLIJLPT-UHFFFAOYSA-N 1 1 403.487 -0.209 20 0 HBADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959036 1071495396 /nfs/dbraw/zinc/49/53/96/1071495396.db2.gz XEEBRKSLSJCXHV-CHWSQXEVSA-N 1 1 402.542 -0.131 20 0 HBADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959037 1071495348 /nfs/dbraw/zinc/49/53/48/1071495348.db2.gz XEEBRKSLSJCXHV-OLZOCXBDSA-N 1 1 402.542 -0.131 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959038 1071496125 /nfs/dbraw/zinc/49/61/25/1071496125.db2.gz XEEBRKSLSJCXHV-QWHCGFSZSA-N 1 1 402.542 -0.131 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)S(N)(=O)=O ZINC000541959039 1071496051 /nfs/dbraw/zinc/49/60/51/1071496051.db2.gz XEEBRKSLSJCXHV-STQMWFEESA-N 1 1 402.542 -0.131 20 0 HBADMO C[C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)S(N)(=O)=O ZINC000541959871 1071495338 /nfs/dbraw/zinc/49/53/38/1071495338.db2.gz GREJZJHTPZTARA-LLVKDONJSA-N 1 1 418.466 -0.161 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)S(N)(=O)=O ZINC000541959872 1071495371 /nfs/dbraw/zinc/49/53/71/1071495371.db2.gz GREJZJHTPZTARA-NSHDSACASA-N 1 1 418.466 -0.161 20 0 HBADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541976770 1071496864 /nfs/dbraw/zinc/49/68/64/1071496864.db2.gz YKTURFYXAVMJFO-PBHICJAKSA-N 1 1 421.523 -0.030 20 0 HBADMO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541976771 1071496987 /nfs/dbraw/zinc/49/69/87/1071496987.db2.gz YKTURFYXAVMJFO-RHSMWYFYSA-N 1 1 421.523 -0.030 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000541976772 1071496942 /nfs/dbraw/zinc/49/69/42/1071496942.db2.gz YKTURFYXAVMJFO-WMLDXEAASA-N 1 1 421.523 -0.030 20 0 HBADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000541976773 1071496806 /nfs/dbraw/zinc/49/68/06/1071496806.db2.gz YKTURFYXAVMJFO-YOEHRIQHSA-N 1 1 421.523 -0.030 20 0 HBADMO Cn1c(N)c(C(=O)C[NH2+][C@H](CO)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000541980919 1071500472 /nfs/dbraw/zinc/50/04/72/1071500472.db2.gz NQMCNHGYFOGHCK-LLVKDONJSA-N 1 1 411.256 -0.065 20 0 HBADMO Cn1c(N)c(C(=O)C[NH2+][C@@H](CO)c2ccc(Br)cc2)c(=O)n(C)c1=O ZINC000541980920 1071500289 /nfs/dbraw/zinc/50/02/89/1071500289.db2.gz NQMCNHGYFOGHCK-NSHDSACASA-N 1 1 411.256 -0.065 20 0 HBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@]1(CO)CCOC1 ZINC000542009023 1071501825 /nfs/dbraw/zinc/50/18/25/1071501825.db2.gz CGACZQKYKACNAK-GOSISDBHSA-N 1 1 415.487 -0.258 20 0 HBADMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@]1(CO)CCOC1 ZINC000542009023 1071501815 /nfs/dbraw/zinc/50/18/15/1071501815.db2.gz CGACZQKYKACNAK-GOSISDBHSA-N 1 1 415.487 -0.258 20 0 HBADMO C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@]1(CO)CCOC1 ZINC000542009031 1071501668 /nfs/dbraw/zinc/50/16/68/1071501668.db2.gz CGACZQKYKACNAK-SFHVURJKSA-N 1 1 415.487 -0.258 20 0 HBADMO C[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@]1(CO)CCOC1 ZINC000542009031 1071501663 /nfs/dbraw/zinc/50/16/63/1071501663.db2.gz CGACZQKYKACNAK-SFHVURJKSA-N 1 1 415.487 -0.258 20 0 HBADMO CNC(=O)Cn1cnc(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC000542066422 1071504984 /nfs/dbraw/zinc/50/49/84/1071504984.db2.gz BHNRIOIPOOWKMT-UHFFFAOYSA-N 1 1 413.482 -0.084 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@H+]1CCc2ccccc2C1 ZINC000542066679 1071505072 /nfs/dbraw/zinc/50/50/72/1071505072.db2.gz VIEMRKKOFGVSEA-AWEZNQCLSA-N 1 1 413.482 -0.132 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000542066679 1071505062 /nfs/dbraw/zinc/50/50/62/1071505062.db2.gz VIEMRKKOFGVSEA-AWEZNQCLSA-N 1 1 413.482 -0.132 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@H+]1CCc2ccccc2C1 ZINC000542066682 1071504872 /nfs/dbraw/zinc/50/48/72/1071504872.db2.gz VIEMRKKOFGVSEA-CQSZACIVSA-N 1 1 413.482 -0.132 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000542066682 1071504866 /nfs/dbraw/zinc/50/48/66/1071504866.db2.gz VIEMRKKOFGVSEA-CQSZACIVSA-N 1 1 413.482 -0.132 20 0 HBADMO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000542068323 1071504792 /nfs/dbraw/zinc/50/47/92/1071504792.db2.gz JASWADOMYDSUPL-UHFFFAOYSA-N 1 1 419.511 -0.247 20 0 HBADMO COc1c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cccc1C(N)=O ZINC000542071734 1071503678 /nfs/dbraw/zinc/50/36/78/1071503678.db2.gz SUEJGSGHGIFUCT-HNNXBMFYSA-N 1 1 417.466 -0.502 20 0 HBADMO COc1c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cccc1C(N)=O ZINC000542071737 1071504254 /nfs/dbraw/zinc/50/42/54/1071504254.db2.gz SUEJGSGHGIFUCT-OAHLLOKOSA-N 1 1 417.466 -0.502 20 0 HBADMO COc1c(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cccc1C(N)=O ZINC000542076027 1071506255 /nfs/dbraw/zinc/50/62/55/1071506255.db2.gz XBMSKHMBGFUEQR-UHFFFAOYSA-N 1 1 405.455 -0.645 20 0 HBADMO 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GPHGMHYQVZNKOG-RRFJBIMHSA-N 1 1 423.514 -0.131 20 0 HBADMO COCCN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543178740 1069310138 /nfs/dbraw/zinc/31/01/38/1069310138.db2.gz GPHGMHYQVZNKOG-SOUVJXGZSA-N 1 1 423.514 -0.131 20 0 HBADMO COCCN(C(=O)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000543178741 1069309700 /nfs/dbraw/zinc/30/97/00/1069309700.db2.gz GPHGMHYQVZNKOG-ZNMIVQPWSA-N 1 1 423.514 -0.131 20 0 HBADMO C[N@H+]1CCCC12CCN(CC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)CC2 ZINC000543197818 1069314093 /nfs/dbraw/zinc/31/40/93/1069314093.db2.gz LNRWDKPURMFCLL-UHFFFAOYSA-N 1 1 407.559 -0.450 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2nn(C)cc2C(=O)OCC)CC1 ZINC000543230657 1069599250 /nfs/dbraw/zinc/59/92/50/1069599250.db2.gz RANSNZMIFYLKCT-UHFFFAOYSA-N 1 1 422.486 -0.358 20 0 HBADMO O=C(CN1CCN(C(=O)C[N@H+]2CCOCC3(CCOCC3)C2)CC1)N1CCOCC1 ZINC000543238263 1069317726 /nfs/dbraw/zinc/31/77/26/1069317726.db2.gz HAPAPEYCXSSINS-UHFFFAOYSA-N 1 1 424.542 -0.882 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCCCn3ccnn3)cc2)CC1 ZINC000543252676 1069318823 /nfs/dbraw/zinc/31/88/23/1069318823.db2.gz WQPMUFJBTOHMQK-UHFFFAOYSA-N 1 1 413.482 -0.260 20 0 HBADMO Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CCN2C[C@H](O)Cn2cccn2)cn1 ZINC000543254495 1069318129 /nfs/dbraw/zinc/31/81/29/1069318129.db2.gz ZGWPDQQUALARKQ-AABGKKOBSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CCN2C[C@H](O)Cn2cccn2)cn1 ZINC000543254495 1069318113 /nfs/dbraw/zinc/31/81/13/1069318113.db2.gz ZGWPDQQUALARKQ-AABGKKOBSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)Cn3cccn3)CCN2C[C@@H](O)Cn2cccn2)cn1 ZINC000543254496 1069318219 /nfs/dbraw/zinc/31/82/19/1069318219.db2.gz ZGWPDQQUALARKQ-AQNXPRMDSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@H+](C[C@@H](O)Cn3cccn3)CCN2C[C@@H](O)Cn2cccn2)cn1 ZINC000543254496 1069318209 /nfs/dbraw/zinc/31/82/09/1069318209.db2.gz ZGWPDQQUALARKQ-AQNXPRMDSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CCN2C[C@H](O)Cn2cccn2)cn1 ZINC000543254497 1069318578 /nfs/dbraw/zinc/31/85/78/1069318578.db2.gz ZGWPDQQUALARKQ-UFYCRDLUSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CCN2C[C@H](O)Cn2cccn2)cn1 ZINC000543254497 1069318563 /nfs/dbraw/zinc/31/85/63/1069318563.db2.gz ZGWPDQQUALARKQ-UFYCRDLUSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)Cn3cccn3)CCN2C[C@@H](O)Cn2cccn2)cn1 ZINC000543254498 1069318753 /nfs/dbraw/zinc/31/87/53/1069318753.db2.gz ZGWPDQQUALARKQ-ZCNNSNEGSA-N 1 1 414.514 -0.406 20 0 HBADMO Cn1cc([C@@H]2C[N@H+](C[C@H](O)Cn3cccn3)CCN2C[C@@H](O)Cn2cccn2)cn1 ZINC000543254498 1069318742 /nfs/dbraw/zinc/31/87/42/1069318742.db2.gz ZGWPDQQUALARKQ-ZCNNSNEGSA-N 1 1 414.514 -0.406 20 0 HBADMO CN(C)S(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000543284950 1069322513 /nfs/dbraw/zinc/32/25/13/1069322513.db2.gz UUSSLXMETKSMQK-UHFFFAOYSA-N 1 1 418.541 -0.157 20 0 HBADMO 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ZINC000543347510 1069329457 /nfs/dbraw/zinc/32/94/57/1069329457.db2.gz LXMHLDAOBDYCFG-UHFFFAOYSA-N 1 1 418.498 -0.044 20 0 HBADMO CNc1nc(NCc2nnc(C(C)C)n2C)[nH+]c(NCc2nnc(C(C)C)n2C)n1 ZINC000543436692 1069344010 /nfs/dbraw/zinc/34/40/10/1069344010.db2.gz MXVBDXDEAHJRNL-UHFFFAOYSA-N 1 1 414.522 -0.093 20 0 HBADMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439481 1069344428 /nfs/dbraw/zinc/34/44/28/1069344428.db2.gz BDOFKNAYDSBVOB-KBPBESRZSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439481 1069344421 /nfs/dbraw/zinc/34/44/21/1069344421.db2.gz BDOFKNAYDSBVOB-KBPBESRZSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439485 1069344293 /nfs/dbraw/zinc/34/42/93/1069344293.db2.gz BDOFKNAYDSBVOB-KGLIPLIRSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439485 1069344277 /nfs/dbraw/zinc/34/42/77/1069344277.db2.gz BDOFKNAYDSBVOB-KGLIPLIRSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439487 1069344186 /nfs/dbraw/zinc/34/41/86/1069344186.db2.gz BDOFKNAYDSBVOB-UONOGXRCSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439487 1069344168 /nfs/dbraw/zinc/34/41/68/1069344168.db2.gz BDOFKNAYDSBVOB-UONOGXRCSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439490 1069344599 /nfs/dbraw/zinc/34/45/99/1069344599.db2.gz BDOFKNAYDSBVOB-ZIAGYGMSSA-N 1 1 402.469 -0.026 20 0 HBADMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)c(OC)c1 ZINC000543439490 1069344591 /nfs/dbraw/zinc/34/45/91/1069344591.db2.gz BDOFKNAYDSBVOB-ZIAGYGMSSA-N 1 1 402.469 -0.026 20 0 HBADMO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C3(C(N)=O)CC3)CC2)cc1 ZINC000543479186 1069349648 /nfs/dbraw/zinc/34/96/48/1069349648.db2.gz SHQLUUQLYYGDIA-UHFFFAOYSA-N 1 1 408.480 -0.670 20 0 HBADMO CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)C[NH2+]C3(C(N)=O)CC3)CC2)c1 ZINC000543481867 1069350454 /nfs/dbraw/zinc/35/04/54/1069350454.db2.gz YIICDVMFYAOEOC-UHFFFAOYSA-N 1 1 408.480 -0.670 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2)CC1 ZINC000543529617 1069422526 /nfs/dbraw/zinc/42/25/26/1069422526.db2.gz MHXQSSYWJYSDNO-GOSISDBHSA-N 1 1 415.494 -0.444 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2)CC1 ZINC000543529620 1069422587 /nfs/dbraw/zinc/42/25/87/1069422587.db2.gz MHXQSSYWJYSDNO-SFHVURJKSA-N 1 1 415.494 -0.444 20 0 HBADMO C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2C1 ZINC000543529845 1069422671 /nfs/dbraw/zinc/42/26/71/1069422671.db2.gz NIOAVWRIIIWFDT-UHFFFAOYSA-N 1 1 415.494 -0.427 20 0 HBADMO C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc2C1 ZINC000543529845 1069422665 /nfs/dbraw/zinc/42/26/65/1069422665.db2.gz 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HBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)C1 ZINC000543559134 1069429249 /nfs/dbraw/zinc/42/92/49/1069429249.db2.gz MIHDIOXCPXDYLN-CQSZACIVSA-N 1 1 404.467 -0.003 20 0 HBADMO CS(=O)(=O)N1CCc2c1cccc2NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000543562588 1069429809 /nfs/dbraw/zinc/42/98/09/1069429809.db2.gz YFDOZUNPAPXTGA-UHFFFAOYSA-N 1 1 410.496 -0.214 20 0 HBADMO C[C@H]1[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC12CCOCC2 ZINC000543573377 1069431121 /nfs/dbraw/zinc/43/11/21/1069431121.db2.gz AHTZRQNTZNCUAB-GOSISDBHSA-N 1 1 408.543 -0.120 20 0 HBADMO C[C@@H]1[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCC12CCOCC2 ZINC000543573383 1069431086 /nfs/dbraw/zinc/43/10/86/1069431086.db2.gz AHTZRQNTZNCUAB-SFHVURJKSA-N 1 1 408.543 -0.120 20 0 HBADMO CCN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1=O ZINC000543577192 1069431879 /nfs/dbraw/zinc/43/18/79/1069431879.db2.gz WRNRLHSWFZZIPC-UHFFFAOYSA-N 1 1 401.467 -0.297 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CC1 ZINC000543614192 1069581228 /nfs/dbraw/zinc/58/12/28/1069581228.db2.gz YSOBBNBVUFQJRL-UHFFFAOYSA-N 1 1 417.514 -0.199 20 0 HBADMO CN1CCN(C(=O)c2cc(NC(=O)NCCC(=O)N3CC[NH+](C)CC3)ccn2)CC1 ZINC000543614396 1069583027 /nfs/dbraw/zinc/58/30/27/1069583027.db2.gz BDPDRWCHCGLIBJ-UHFFFAOYSA-N 1 1 417.514 -0.245 20 0 HBADMO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)o1 ZINC000543633247 1069607190 /nfs/dbraw/zinc/60/71/90/1069607190.db2.gz BZDPKMCQLUBBSD-UHFFFAOYSA-N 1 1 421.479 -0.013 20 0 HBADMO Cn1cc(S(=O)(=O)N2CCC(C)(CN3CC[NH+](C)CC3)CC2)c(=O)n(C)c1=O ZINC000543685062 1069684606 /nfs/dbraw/zinc/68/46/06/1069684606.db2.gz AWNJMVFLJAXUCY-UHFFFAOYSA-N 1 1 413.544 -0.878 20 0 HBADMO COc1ccc(C(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1-n1cnnn1 ZINC000543784323 1071921286 /nfs/dbraw/zinc/92/12/86/1071921286.db2.gz GGXBGESLQJIVBG-AWEZNQCLSA-N 1 1 408.484 -0.138 20 0 HBADMO COc1ccc(C(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1-n1cnnn1 ZINC000543784324 1071921344 /nfs/dbraw/zinc/92/13/44/1071921344.db2.gz GGXBGESLQJIVBG-CQSZACIVSA-N 1 1 408.484 -0.138 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)S(N)(=O)=O ZINC000543801028 1071923246 /nfs/dbraw/zinc/92/32/46/1071923246.db2.gz DHIDPEBHMMHYSP-BBRMVZONSA-N 1 1 412.512 -0.947 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)S(N)(=O)=O ZINC000543801029 1071923100 /nfs/dbraw/zinc/92/31/00/1071923100.db2.gz DHIDPEBHMMHYSP-CJNGLKHVSA-N 1 1 412.512 -0.947 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)S(N)(=O)=O ZINC000543801032 1071923277 /nfs/dbraw/zinc/92/32/77/1071923277.db2.gz DHIDPEBHMMHYSP-CZUORRHYSA-N 1 1 412.512 -0.947 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)S(N)(=O)=O ZINC000543801034 1071923217 /nfs/dbraw/zinc/92/32/17/1071923217.db2.gz DHIDPEBHMMHYSP-XJKSGUPXSA-N 1 1 412.512 -0.947 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802917 1071924152 /nfs/dbraw/zinc/92/41/52/1071924152.db2.gz JRBWWTZIJIMZID-DZKIICNBSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802917 1071924147 /nfs/dbraw/zinc/92/41/47/1071924147.db2.gz JRBWWTZIJIMZID-DZKIICNBSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802920 1071924336 /nfs/dbraw/zinc/92/43/36/1071924336.db2.gz JRBWWTZIJIMZID-IJEWVQPXSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802920 1071924330 /nfs/dbraw/zinc/92/43/30/1071924330.db2.gz JRBWWTZIJIMZID-IJEWVQPXSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802921 1071924239 /nfs/dbraw/zinc/92/42/39/1071924239.db2.gz JRBWWTZIJIMZID-OFQRWUPVSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802921 1071924231 /nfs/dbraw/zinc/92/42/31/1071924231.db2.gz JRBWWTZIJIMZID-OFQRWUPVSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802922 1071924167 /nfs/dbraw/zinc/92/41/67/1071924167.db2.gz JRBWWTZIJIMZID-YCPHGPKFSA-N 1 1 412.512 -0.815 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)S(N)(=O)=O ZINC000543802922 1071924163 /nfs/dbraw/zinc/92/41/63/1071924163.db2.gz JRBWWTZIJIMZID-YCPHGPKFSA-N 1 1 412.512 -0.815 20 0 HBADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)cc1 ZINC000543815081 1071963531 /nfs/dbraw/zinc/96/35/31/1071963531.db2.gz VUJVIMSXEZHVTC-AWEZNQCLSA-N 1 1 412.512 -0.477 20 0 HBADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)cc1 ZINC000543815081 1071963528 /nfs/dbraw/zinc/96/35/28/1071963528.db2.gz VUJVIMSXEZHVTC-AWEZNQCLSA-N 1 1 412.512 -0.477 20 0 HBADMO COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)cc1 ZINC000543815082 1071963455 /nfs/dbraw/zinc/96/34/55/1071963455.db2.gz VUJVIMSXEZHVTC-CQSZACIVSA-N 1 1 412.512 -0.477 20 0 HBADMO COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)cc1 ZINC000543815082 1071963442 /nfs/dbraw/zinc/96/34/42/1071963442.db2.gz VUJVIMSXEZHVTC-CQSZACIVSA-N 1 1 412.512 -0.477 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)S(N)(=O)=O ZINC000543815173 1071962745 /nfs/dbraw/zinc/96/27/45/1071962745.db2.gz ZOYQVBHEPVPVHL-INIZCTEOSA-N 1 1 410.540 -0.053 20 0 HBADMO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)S(N)(=O)=O ZINC000543815174 1071962717 /nfs/dbraw/zinc/96/27/17/1071962717.db2.gz ZOYQVBHEPVPVHL-MRXNPFEDSA-N 1 1 410.540 -0.053 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)S(N)(=O)=O ZINC000543815322 1071962851 /nfs/dbraw/zinc/96/28/51/1071962851.db2.gz DJLLNXSTZWZFQI-KBPBESRZSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)S(N)(=O)=O ZINC000543815322 1071962840 /nfs/dbraw/zinc/96/28/40/1071962840.db2.gz DJLLNXSTZWZFQI-KBPBESRZSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)S(N)(=O)=O ZINC000543815323 1071962971 /nfs/dbraw/zinc/96/29/71/1071962971.db2.gz DJLLNXSTZWZFQI-KGLIPLIRSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)S(N)(=O)=O ZINC000543815323 1071962963 /nfs/dbraw/zinc/96/29/63/1071962963.db2.gz DJLLNXSTZWZFQI-KGLIPLIRSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)S(N)(=O)=O ZINC000543815324 1071963006 /nfs/dbraw/zinc/96/30/06/1071963006.db2.gz DJLLNXSTZWZFQI-UONOGXRCSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)S(N)(=O)=O ZINC000543815324 1071962998 /nfs/dbraw/zinc/96/29/98/1071962998.db2.gz DJLLNXSTZWZFQI-UONOGXRCSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)S(N)(=O)=O ZINC000543815325 1071962778 /nfs/dbraw/zinc/96/27/78/1071962778.db2.gz DJLLNXSTZWZFQI-ZIAGYGMSSA-N 1 1 412.512 -0.683 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)S(N)(=O)=O ZINC000543815325 1071962771 /nfs/dbraw/zinc/96/27/71/1071962771.db2.gz DJLLNXSTZWZFQI-ZIAGYGMSSA-N 1 1 412.512 -0.683 20 0 HBADMO Cn1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c(=O)n(C)c1=O ZINC000543833907 1069274022 /nfs/dbraw/zinc/27/40/22/1069274022.db2.gz CWBGKWCAMZHWJR-INIZCTEOSA-N 1 1 422.507 -0.481 20 0 HBADMO Cn1cc(S(=O)(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(=O)n(C)c1=O ZINC000543833908 1069274182 /nfs/dbraw/zinc/27/41/82/1069274182.db2.gz CWBGKWCAMZHWJR-MRXNPFEDSA-N 1 1 422.507 -0.481 20 0 HBADMO COC(=O)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCOCC1 ZINC000543836665 1071967366 /nfs/dbraw/zinc/96/73/66/1071967366.db2.gz REQIBHRQGWMKGE-INIZCTEOSA-N 1 1 411.499 -0.214 20 0 HBADMO COC(=O)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCOCC1 ZINC000543836666 1071967307 /nfs/dbraw/zinc/96/73/07/1071967307.db2.gz REQIBHRQGWMKGE-MRXNPFEDSA-N 1 1 411.499 -0.214 20 0 HBADMO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000543838529 1069355937 /nfs/dbraw/zinc/35/59/37/1069355937.db2.gz JBSSTHKOOFUDHG-GOSISDBHSA-N 1 1 420.510 -0.679 20 0 HBADMO COc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000543838531 1069356060 /nfs/dbraw/zinc/35/60/60/1069356060.db2.gz JBSSTHKOOFUDHG-SFHVURJKSA-N 1 1 420.510 -0.679 20 0 HBADMO Cn1c(N)c(C(=O)C[NH2+][C@H](CO)c2cccc(Br)c2)c(=O)n(C)c1=O ZINC000543838760 1071967339 /nfs/dbraw/zinc/96/73/39/1071967339.db2.gz GKXYUPJQAURACJ-LLVKDONJSA-N 1 1 411.256 -0.065 20 0 HBADMO Cn1c(N)c(C(=O)C[NH2+][C@@H](CO)c2cccc(Br)c2)c(=O)n(C)c1=O ZINC000543838769 1069336055 /nfs/dbraw/zinc/33/60/55/1069336055.db2.gz GKXYUPJQAURACJ-NSHDSACASA-N 1 1 411.256 -0.065 20 0 HBADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC000543881367 1069655247 /nfs/dbraw/zinc/65/52/47/1069655247.db2.gz HONLAYOCSBVQRD-HNNXBMFYSA-N 1 1 423.495 -0.061 20 0 HBADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H]3CCC(=O)NC3=O)c2)CC1 ZINC000543881367 1069655242 /nfs/dbraw/zinc/65/52/42/1069655242.db2.gz HONLAYOCSBVQRD-HNNXBMFYSA-N 1 1 423.495 -0.061 20 0 HBADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC000543881369 1071969261 /nfs/dbraw/zinc/96/92/61/1071969261.db2.gz HONLAYOCSBVQRD-OAHLLOKOSA-N 1 1 423.495 -0.061 20 0 HBADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CCC(=O)NC3=O)c2)CC1 ZINC000543881369 1071969254 /nfs/dbraw/zinc/96/92/54/1071969254.db2.gz HONLAYOCSBVQRD-OAHLLOKOSA-N 1 1 423.495 -0.061 20 0 HBADMO CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000543921903 1069541834 /nfs/dbraw/zinc/54/18/34/1069541834.db2.gz ZDAOXVRXMBXKMC-UHFFFAOYSA-N 1 1 405.434 -0.308 20 0 HBADMO C[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000543961397 1069661664 /nfs/dbraw/zinc/66/16/64/1069661664.db2.gz USNNUBKDJWGNSN-AWEZNQCLSA-N 1 1 401.471 -0.059 20 0 HBADMO C[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)[N@@H+](C)Cc1ccccc1 ZINC000543961398 1069550060 /nfs/dbraw/zinc/55/00/60/1069550060.db2.gz USNNUBKDJWGNSN-CQSZACIVSA-N 1 1 401.471 -0.059 20 0 HBADMO O=C(Cn1cnc(NC(=O)C(=O)NCC[NH+]2CCSCC2)n1)N1CCCCCC1 ZINC000543961521 1069579956 /nfs/dbraw/zinc/57/99/56/1069579956.db2.gz VRZQTLJONSROGQ-UHFFFAOYSA-N 1 1 423.543 -0.216 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000543994047 1071978910 /nfs/dbraw/zinc/97/89/10/1071978910.db2.gz QJEQRNYYLWQXQK-AWEZNQCLSA-N 1 1 405.480 -0.048 20 0 HBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000543994048 1071979488 /nfs/dbraw/zinc/97/94/88/1071979488.db2.gz QJEQRNYYLWQXQK-CQSZACIVSA-N 1 1 405.480 -0.048 20 0 HBADMO COCCNc1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]1 ZINC000544066906 1071986950 /nfs/dbraw/zinc/98/69/50/1071986950.db2.gz ZXJIZJKIGNMTIN-HAEOWDPNSA-N 1 1 404.515 -0.234 20 0 HBADMO 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COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)NCc3ccc(OCC(N)=O)cc3)C2)nn1 ZINC000544896688 1072043093 /nfs/dbraw/zinc/04/30/93/1072043093.db2.gz JOVNZMDLHYYCJL-CQSZACIVSA-N 1 1 416.438 -0.508 20 0 HBADMO COC(=O)c1cn([C@H]2CC[N@H+]([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898459 1072043029 /nfs/dbraw/zinc/04/30/29/1072043029.db2.gz SYYSDJJDNGBHAN-CABCVRRESA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898459 1072043023 /nfs/dbraw/zinc/04/30/23/1072043023.db2.gz SYYSDJJDNGBHAN-CABCVRRESA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898481 1072042868 /nfs/dbraw/zinc/04/28/68/1072042868.db2.gz SYYSDJJDNGBHAN-GJZGRUSLSA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898481 1072042861 /nfs/dbraw/zinc/04/28/61/1072042861.db2.gz SYYSDJJDNGBHAN-GJZGRUSLSA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898485 1072043052 /nfs/dbraw/zinc/04/30/52/1072043052.db2.gz SYYSDJJDNGBHAN-HUUCEWRRSA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898485 1072043047 /nfs/dbraw/zinc/04/30/47/1072043047.db2.gz SYYSDJJDNGBHAN-HUUCEWRRSA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898490 1072043167 /nfs/dbraw/zinc/04/31/67/1072043167.db2.gz SYYSDJJDNGBHAN-LSDHHAIUSA-N 1 1 414.470 -0.161 20 0 HBADMO COC(=O)c1cn([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)C2)nn1 ZINC000544898490 1072043157 /nfs/dbraw/zinc/04/31/57/1072043157.db2.gz SYYSDJJDNGBHAN-LSDHHAIUSA-N 1 1 414.470 -0.161 20 0 HBADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545153368 1072061616 /nfs/dbraw/zinc/06/16/16/1072061616.db2.gz IQKORIKMIBYGBD-RBZFPXEDSA-N 1 1 420.466 -0.511 20 0 HBADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545153369 1072061934 /nfs/dbraw/zinc/06/19/34/1072061934.db2.gz IQKORIKMIBYGBD-RNODOKPDSA-N 1 1 420.466 -0.511 20 0 HBADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545153370 1072061906 /nfs/dbraw/zinc/06/19/06/1072061906.db2.gz IQKORIKMIBYGBD-XCLFUZPHSA-N 1 1 420.466 -0.511 20 0 HBADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000545153371 1072061672 /nfs/dbraw/zinc/06/16/72/1072061672.db2.gz IQKORIKMIBYGBD-ZUOKHONESA-N 1 1 420.466 -0.511 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000545153610 1072061590 /nfs/dbraw/zinc/06/15/90/1072061590.db2.gz PYJDKIKZGLCWMQ-IBGZPJMESA-N 1 1 410.540 -0.516 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@]3(O)CC[N@H+](C)C3)CC2)cc1 ZINC000545153611 1072061922 /nfs/dbraw/zinc/06/19/22/1072061922.db2.gz PYJDKIKZGLCWMQ-LJQANCHMSA-N 1 1 410.540 -0.516 20 0 HBADMO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000545154314 1072061963 /nfs/dbraw/zinc/06/19/63/1072061963.db2.gz JZYZGFLTAQSTFM-INIZCTEOSA-N 1 1 402.448 -0.803 20 0 HBADMO CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000545154315 1072062276 /nfs/dbraw/zinc/06/22/76/1072062276.db2.gz JZYZGFLTAQSTFM-MRXNPFEDSA-N 1 1 402.448 -0.803 20 0 HBADMO C[N@H+]1CC[C@](O)(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545154513 1072061773 /nfs/dbraw/zinc/06/17/73/1072061773.db2.gz PRZCUKXQMSCOHQ-IBGZPJMESA-N 1 1 411.524 -0.177 20 0 HBADMO C[N@H+]1CC[C@@](O)(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545154514 1072061804 /nfs/dbraw/zinc/06/18/04/1072061804.db2.gz PRZCUKXQMSCOHQ-LJQANCHMSA-N 1 1 411.524 -0.177 20 0 HBADMO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545154720 1072061859 /nfs/dbraw/zinc/06/18/59/1072061859.db2.gz VCFBOEKXNCIGGP-FQEVSTJZSA-N 1 1 420.466 -0.569 20 0 HBADMO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545154721 1072061698 /nfs/dbraw/zinc/06/16/98/1072061698.db2.gz VCFBOEKXNCIGGP-HXUWFJFHSA-N 1 1 420.466 -0.569 20 0 HBADMO CC1=CCN(CCNC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CC1 ZINC000545154830 1072061652 /nfs/dbraw/zinc/06/16/52/1072061652.db2.gz XTOUMODMPCIXFR-UHFFFAOYSA-N 1 1 405.503 -0.732 20 0 HBADMO CC1=CC[N@@H+](CCNC(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000545155364 1072062462 /nfs/dbraw/zinc/06/24/62/1072062462.db2.gz PMKZEZDCAKUYCQ-UHFFFAOYSA-N 1 1 404.471 -0.551 20 0 HBADMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545161161 1072062505 /nfs/dbraw/zinc/06/25/05/1072062505.db2.gz MUPNQSMYACWHPX-INIZCTEOSA-N 1 1 419.525 -0.948 20 0 HBADMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000545161162 1072062403 /nfs/dbraw/zinc/06/24/03/1072062403.db2.gz MUPNQSMYACWHPX-MRXNPFEDSA-N 1 1 419.525 -0.948 20 0 HBADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000545168612 1072062913 /nfs/dbraw/zinc/06/29/13/1072062913.db2.gz NNNYTQQVCZEAOI-ACJLOTCBSA-N 1 1 412.512 -0.115 20 0 HBADMO CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000545168613 1072062845 /nfs/dbraw/zinc/06/28/45/1072062845.db2.gz NNNYTQQVCZEAOI-FZKQIMNGSA-N 1 1 412.512 -0.115 20 0 HBADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000545168614 1072062777 /nfs/dbraw/zinc/06/27/77/1072062777.db2.gz NNNYTQQVCZEAOI-SCLBCKFNSA-N 1 1 412.512 -0.115 20 0 HBADMO CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000545168615 1072062967 /nfs/dbraw/zinc/06/29/67/1072062967.db2.gz NNNYTQQVCZEAOI-UGSOOPFHSA-N 1 1 412.512 -0.115 20 0 HBADMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000545172123 1068822740 /nfs/dbraw/zinc/82/27/40/1068822740.db2.gz APTLYUYMVWDCHO-INIZCTEOSA-N 1 1 403.526 -0.506 20 0 HBADMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 ZINC000545172124 1068822785 /nfs/dbraw/zinc/82/27/85/1068822785.db2.gz APTLYUYMVWDCHO-MRXNPFEDSA-N 1 1 403.526 -0.506 20 0 HBADMO COC(=O)c1cn([C@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)nn1 ZINC000545176893 1072063404 /nfs/dbraw/zinc/06/34/04/1072063404.db2.gz VVMJCCOHKIXCMG-GJZGRUSLSA-N 1 1 421.502 -0.001 20 0 HBADMO COC(=O)c1cn([C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)C2)nn1 ZINC000545176895 1072063596 /nfs/dbraw/zinc/06/35/96/1072063596.db2.gz VVMJCCOHKIXCMG-HUUCEWRRSA-N 1 1 421.502 -0.001 20 0 HBADMO COC(=O)c1cn([C@@H]2CCCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)C2)nn1 ZINC000545176899 1072063424 /nfs/dbraw/zinc/06/34/24/1072063424.db2.gz VVMJCCOHKIXCMG-LSDHHAIUSA-N 1 1 421.502 -0.001 20 0 HBADMO C[NH+](C)CCN(C(=O)CNC(=O)c1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 ZINC000545189286 1072064115 /nfs/dbraw/zinc/06/41/15/1072064115.db2.gz TWFLOIXGBUMZNU-AWEZNQCLSA-N 1 1 411.480 -0.278 20 0 HBADMO 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ZINC000545396277 1069047686 /nfs/dbraw/zinc/04/76/86/1069047686.db2.gz GPTUMJZLPXAEEO-UHFFFAOYSA-N 1 1 416.504 -0.901 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CO)CC1 ZINC000545396609 1069047939 /nfs/dbraw/zinc/04/79/39/1069047939.db2.gz CEFCYPQWWZAODV-KRWDZBQOSA-N 1 1 400.501 -0.029 20 0 HBADMO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CO)CC1 ZINC000545396610 1069047884 /nfs/dbraw/zinc/04/78/84/1069047884.db2.gz CEFCYPQWWZAODV-QGZVFWFLSA-N 1 1 400.501 -0.029 20 0 HBADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545402169 1072080512 /nfs/dbraw/zinc/08/05/12/1072080512.db2.gz MBYSZYZDORMHAZ-INIZCTEOSA-N 1 1 401.471 -0.461 20 0 HBADMO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545402170 1072080520 /nfs/dbraw/zinc/08/05/20/1072080520.db2.gz MBYSZYZDORMHAZ-MRXNPFEDSA-N 1 1 401.471 -0.461 20 0 HBADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(c2ncc(F)cn2)CC1 ZINC000545409694 1069055792 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1 1 408.547 -0.563 20 0 HBADMO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550779829 1069437340 /nfs/dbraw/zinc/43/73/40/1069437340.db2.gz ZGGYMHBUDJYSPG-GOSISDBHSA-N 1 1 408.547 -0.217 20 0 HBADMO COCCN(Cc1ccnn1C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000550779830 1069437348 /nfs/dbraw/zinc/43/73/48/1069437348.db2.gz ZGGYMHBUDJYSPG-SFHVURJKSA-N 1 1 408.547 -0.217 20 0 HBADMO CN(C)c1noc([C@H]2CCCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)C2)n1 ZINC000550780610 1069437846 /nfs/dbraw/zinc/43/78/46/1069437846.db2.gz ICVZAZAHTLHFFM-INIZCTEOSA-N 1 1 421.546 -0.015 20 0 HBADMO CN(C)c1noc([C@@H]2CCCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)C2)n1 ZINC000550780612 1069437927 /nfs/dbraw/zinc/43/79/27/1069437927.db2.gz ICVZAZAHTLHFFM-MRXNPFEDSA-N 1 1 421.546 -0.015 20 0 HBADMO CCN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@H]1c1ncc[nH]1 ZINC000550783001 1069439129 /nfs/dbraw/zinc/43/91/29/1069439129.db2.gz WXBVRWMSYINRHV-KRWDZBQOSA-N 1 1 405.547 -0.241 20 0 HBADMO CCN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000550783002 1069439050 /nfs/dbraw/zinc/43/90/50/1069439050.db2.gz WXBVRWMSYINRHV-QGZVFWFLSA-N 1 1 405.547 -0.241 20 0 HBADMO CN(C(=O)[C@H]1CCc2nncn2C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000550783284 1069440186 /nfs/dbraw/zinc/44/01/86/1069440186.db2.gz WMJMWYFEWREBFA-INIZCTEOSA-N 1 1 403.531 -0.463 20 0 HBADMO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCCN3CCOCC3)C2)CC1 ZINC000550783427 1069440306 /nfs/dbraw/zinc/44/03/06/1069440306.db2.gz ZTUHVRXOJWBDRH-IBGZPJMESA-N 1 1 409.575 -0.158 20 0 HBADMO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCCN3CCOCC3)C2)CC1 ZINC000550783429 1069440157 /nfs/dbraw/zinc/44/01/57/1069440157.db2.gz ZTUHVRXOJWBDRH-LJQANCHMSA-N 1 1 409.575 -0.158 20 0 HBADMO CN(C(=O)[C@@H]1CCc2nncn2C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000550783445 1069440450 /nfs/dbraw/zinc/44/04/50/1069440450.db2.gz WMJMWYFEWREBFA-MRXNPFEDSA-N 1 1 403.531 -0.463 20 0 HBADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC000550784360 1069439599 /nfs/dbraw/zinc/43/95/99/1069439599.db2.gz UBZPTHVGVDPMDM-UHFFFAOYSA-N 1 1 408.572 -0.069 20 0 HBADMO Cn1cc(N2CCC[C@H](NC(=O)C(=O)NCCCCN3CC[NH+](C)CC3)C2)cn1 ZINC000550785721 1069439821 /nfs/dbraw/zinc/43/98/21/1069439821.db2.gz VSUYHQBHGFSUPG-KRWDZBQOSA-N 1 1 405.547 -0.351 20 0 HBADMO Cn1cc(N2CCC[C@@H](NC(=O)C(=O)NCCCCN3CC[NH+](C)CC3)C2)cn1 ZINC000550785722 1069439759 /nfs/dbraw/zinc/43/97/59/1069439759.db2.gz VSUYHQBHGFSUPG-QGZVFWFLSA-N 1 1 405.547 -0.351 20 0 HBADMO O=S1(=O)CCN(c2nc(N3CCS(=O)(=O)CC3)c3c([nH+]2)CCS3)CC1 ZINC000550787836 1069442042 /nfs/dbraw/zinc/44/20/42/1069442042.db2.gz WPAZECAVZUIUCN-UHFFFAOYSA-N 1 1 404.539 -0.406 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CC1 ZINC000550788809 1069442209 /nfs/dbraw/zinc/44/22/09/1069442209.db2.gz HRCDPQYYYVHZJR-INIZCTEOSA-N 1 1 417.576 -0.940 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CC1 ZINC000550788829 1069442056 /nfs/dbraw/zinc/44/20/56/1069442056.db2.gz HRCDPQYYYVHZJR-MRXNPFEDSA-N 1 1 417.576 -0.940 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 ZINC000550790868 1069440435 /nfs/dbraw/zinc/44/04/35/1069440435.db2.gz QACGPLNAVXULGS-UHFFFAOYSA-N 1 1 411.547 -0.772 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000550791087 1069440397 /nfs/dbraw/zinc/44/03/97/1069440397.db2.gz WMFUMKIXOYBQDZ-UHFFFAOYSA-N 1 1 419.574 -0.402 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CC1 ZINC000550791477 1069440419 /nfs/dbraw/zinc/44/04/19/1069440419.db2.gz NGHWDCLKVGNSCO-INIZCTEOSA-N 1 1 417.576 -0.940 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CC1 ZINC000550791478 1069440342 /nfs/dbraw/zinc/44/03/42/1069440342.db2.gz NGHWDCLKVGNSCO-MRXNPFEDSA-N 1 1 417.576 -0.940 20 0 HBADMO CC(C)NS(=O)(=O)CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000550792207 1069441000 /nfs/dbraw/zinc/44/10/00/1069441000.db2.gz MKWNQMGIZSPSBQ-UHFFFAOYSA-N 1 1 403.549 -0.490 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000550800005 1069447088 /nfs/dbraw/zinc/44/70/88/1069447088.db2.gz ITXUMQNKCBBESY-AWEZNQCLSA-N 1 1 421.464 -0.154 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000550800019 1069447049 /nfs/dbraw/zinc/44/70/49/1069447049.db2.gz ITXUMQNKCBBESY-CQSZACIVSA-N 1 1 421.464 -0.154 20 0 HBADMO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000550805687 1069446505 /nfs/dbraw/zinc/44/65/05/1069446505.db2.gz YZWZNXJFTLLYDG-INIZCTEOSA-N 1 1 409.508 -0.113 20 0 HBADMO CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000550805688 1069446430 /nfs/dbraw/zinc/44/64/30/1069446430.db2.gz YZWZNXJFTLLYDG-MRXNPFEDSA-N 1 1 409.508 -0.113 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000550806832 1069448343 /nfs/dbraw/zinc/44/83/43/1069448343.db2.gz IHVREKBWXBZDND-GDBMZVCRSA-N 1 1 409.531 -0.487 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000550806833 1069448210 /nfs/dbraw/zinc/44/82/10/1069448210.db2.gz IHVREKBWXBZDND-GOEBONIOSA-N 1 1 409.531 -0.487 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)CC1 ZINC000550806834 1069448238 /nfs/dbraw/zinc/44/82/38/1069448238.db2.gz IHVREKBWXBZDND-HOCLYGCPSA-N 1 1 409.531 -0.487 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)NC(C)C)C2)CC1 ZINC000550806835 1069448276 /nfs/dbraw/zinc/44/82/76/1069448276.db2.gz IHVREKBWXBZDND-ZBFHGGJFSA-N 1 1 409.531 -0.487 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000550806861 1069448252 /nfs/dbraw/zinc/44/82/52/1069448252.db2.gz JJKCZQOLXPQBJS-UHFFFAOYSA-N 1 1 416.457 -0.046 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000550807378 1069448820 /nfs/dbraw/zinc/44/88/20/1069448820.db2.gz SYFACFAJWOPOES-UHFFFAOYSA-N 1 1 417.514 -0.768 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2nc3cc(OC)ccc3n2C)CC1 ZINC000550807629 1069448314 /nfs/dbraw/zinc/44/83/14/1069448314.db2.gz DXESLAFFCVACKW-UHFFFAOYSA-N 1 1 416.482 -0.475 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)CC1 ZINC000550807681 1069448401 /nfs/dbraw/zinc/44/84/01/1069448401.db2.gz GGWKBKKAPUVJTH-UHFFFAOYSA-N 1 1 424.523 -0.707 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCOC)Cc2scnc2C)CC1 ZINC000550807685 1069448297 /nfs/dbraw/zinc/44/82/97/1069448297.db2.gz GJEXGXYTJKHWMF-UHFFFAOYSA-N 1 1 411.528 -0.247 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCN2CCc3ccccc32)CC1 ZINC000550807691 1069448321 /nfs/dbraw/zinc/44/83/21/1069448321.db2.gz HDHVCGRULJKPPL-UHFFFAOYSA-N 1 1 401.511 -0.118 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)CC1 ZINC000550807704 1069448199 /nfs/dbraw/zinc/44/81/99/1069448199.db2.gz HWQRZNIIIQXQQI-UHFFFAOYSA-N 1 1 417.510 -0.330 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOCC3(CCOCC3)C2)CC1 ZINC000550807733 1069448388 /nfs/dbraw/zinc/44/83/88/1069448388.db2.gz AFXJTVSEINOSGI-UHFFFAOYSA-N 1 1 424.542 -0.251 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](O)COCc2ccccc2)CC1 ZINC000550807771 1069449242 /nfs/dbraw/zinc/44/92/42/1069449242.db2.gz CDTMDVBDADNPHE-GOSISDBHSA-N 1 1 420.510 -0.651 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](O)COCc2ccccc2)CC1 ZINC000550807772 1069449368 /nfs/dbraw/zinc/44/93/68/1069449368.db2.gz CDTMDVBDADNPHE-SFHVURJKSA-N 1 1 420.510 -0.651 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000550807824 1069449508 /nfs/dbraw/zinc/44/95/08/1069449508.db2.gz JVWYYZIQDJFOMZ-KRWDZBQOSA-N 1 1 411.547 -0.824 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000550807829 1069449553 /nfs/dbraw/zinc/44/95/53/1069449553.db2.gz JVWYYZIQDJFOMZ-QGZVFWFLSA-N 1 1 411.547 -0.824 20 0 HBADMO CC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCN1CC(F)F ZINC000550807858 1069449334 /nfs/dbraw/zinc/44/93/34/1069449334.db2.gz KMSKFTRLUZRENK-AWEZNQCLSA-N 1 1 403.474 -0.499 20 0 HBADMO CC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCN1CC(F)F ZINC000550807867 1069449254 /nfs/dbraw/zinc/44/92/54/1069449254.db2.gz KMSKFTRLUZRENK-CQSZACIVSA-N 1 1 403.474 -0.499 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000550807886 1069449615 /nfs/dbraw/zinc/44/96/15/1069449615.db2.gz LCLRPGVQBCDCFR-KRWDZBQOSA-N 1 1 415.494 -0.770 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000550807887 1069449486 /nfs/dbraw/zinc/44/94/86/1069449486.db2.gz LCLRPGVQBCDCFR-QGZVFWFLSA-N 1 1 415.494 -0.770 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000550807982 1069448747 /nfs/dbraw/zinc/44/87/47/1069448747.db2.gz IJBSCYSHHCNCHD-DYESRHJHSA-N 1 1 424.542 -0.110 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)CC1 ZINC000550807983 1069449046 /nfs/dbraw/zinc/44/90/46/1069449046.db2.gz IJBSCYSHHCNCHD-LAUBAEHRSA-N 1 1 424.542 -0.110 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000550807984 1069448981 /nfs/dbraw/zinc/44/89/81/1069448981.db2.gz IJBSCYSHHCNCHD-UTKZUKDTSA-N 1 1 424.542 -0.110 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)CC1 ZINC000550807985 1069448831 /nfs/dbraw/zinc/44/88/31/1069448831.db2.gz IJBSCYSHHCNCHD-UWJYYQICSA-N 1 1 424.542 -0.110 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC000550808147 1069448921 /nfs/dbraw/zinc/44/89/21/1069448921.db2.gz KSTFWNPQERPKGC-UHFFFAOYSA-N 1 1 406.462 -0.804 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000550808226 1069448700 /nfs/dbraw/zinc/44/87/00/1069448700.db2.gz OROUYGIGRRFDNQ-UHFFFAOYSA-N 1 1 410.515 -0.105 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000550808311 1069449010 /nfs/dbraw/zinc/44/90/10/1069449010.db2.gz VIDFSWGDSBUJLO-INIZCTEOSA-N 1 1 420.514 -0.737 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000550808312 1069448966 /nfs/dbraw/zinc/44/89/66/1069448966.db2.gz VIDFSWGDSBUJLO-MRXNPFEDSA-N 1 1 420.514 -0.737 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccc(OC)cc2)CC1 ZINC000550808366 1069448998 /nfs/dbraw/zinc/44/89/98/1069448998.db2.gz QOWDHFULLHCUTP-UHFFFAOYSA-N 1 1 406.483 -0.141 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000550808505 1069448752 /nfs/dbraw/zinc/44/87/52/1069448752.db2.gz TZXVHYMZPVPCRN-UHFFFAOYSA-N 1 1 404.467 -0.257 20 0 HBADMO CCc1cnc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC(=O)NC)CC3)CC2)s1 ZINC000550808599 1069448897 /nfs/dbraw/zinc/44/88/97/1069448897.db2.gz YPYDYLCWWVMQFL-UHFFFAOYSA-N 1 1 422.555 -0.319 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)c3nccs3)CC2)CC1 ZINC000550808609 1069448875 /nfs/dbraw/zinc/44/88/75/1069448875.db2.gz YZGKTIDNZBBJGQ-AWEZNQCLSA-N 1 1 422.555 -0.325 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)c3nccs3)CC2)CC1 ZINC000550808610 1069448939 /nfs/dbraw/zinc/44/89/39/1069448939.db2.gz YZGKTIDNZBBJGQ-CQSZACIVSA-N 1 1 422.555 -0.325 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000550809689 1069449355 /nfs/dbraw/zinc/44/93/55/1069449355.db2.gz BNTXUYHVTHEFIK-INIZCTEOSA-N 1 1 413.482 -0.032 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)C1 ZINC000550809690 1069449442 /nfs/dbraw/zinc/44/94/42/1069449442.db2.gz BNTXUYHVTHEFIK-MRXNPFEDSA-N 1 1 413.482 -0.032 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(CCC)C(=O)C2)CC1 ZINC000550811725 1069447569 /nfs/dbraw/zinc/44/75/69/1069447569.db2.gz PGSLKIBTTVDXJI-UHFFFAOYSA-N 1 1 409.531 -0.436 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000550811739 1069447653 /nfs/dbraw/zinc/44/76/53/1069447653.db2.gz PWBFJLMLRZHMIE-KRWDZBQOSA-N 1 1 421.542 -0.390 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000550811740 1069447712 /nfs/dbraw/zinc/44/77/12/1069447712.db2.gz PWBFJLMLRZHMIE-QGZVFWFLSA-N 1 1 421.542 -0.390 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000550811891 1069449599 /nfs/dbraw/zinc/44/95/99/1069449599.db2.gz BDRUDEBLWVAJDA-AWEZNQCLSA-N 1 1 422.917 -0.244 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)CC1 ZINC000550811892 1069449646 /nfs/dbraw/zinc/44/96/46/1069449646.db2.gz BDRUDEBLWVAJDA-CQSZACIVSA-N 1 1 422.917 -0.244 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000550811990 1069449323 /nfs/dbraw/zinc/44/93/23/1069449323.db2.gz YNNCODYTBDXHPS-INIZCTEOSA-N 1 1 418.542 -0.082 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CC1 ZINC000550811991 1069449879 /nfs/dbraw/zinc/44/98/79/1069449879.db2.gz YNNCODYTBDXHPS-MRXNPFEDSA-N 1 1 418.542 -0.082 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)CC1 ZINC000550812207 1069449421 /nfs/dbraw/zinc/44/94/21/1069449421.db2.gz 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C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1c1nccn2cnnc12 ZINC000551144854 1069509449 /nfs/dbraw/zinc/50/94/49/1069509449.db2.gz VTVXDUHEUFGDGB-OAGGEKHMSA-N 1 1 412.498 -0.096 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCN1c1nccn2cnnc12 ZINC000551144855 1069509576 /nfs/dbraw/zinc/50/95/76/1069509576.db2.gz VTVXDUHEUFGDGB-OWCLPIDISA-N 1 1 412.498 -0.096 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1c1nccn2cnnc12 ZINC000551144856 1069509537 /nfs/dbraw/zinc/50/95/37/1069509537.db2.gz VTVXDUHEUFGDGB-PMPSAXMXSA-N 1 1 412.498 -0.096 20 0 HBADMO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000551145541 1069509462 /nfs/dbraw/zinc/50/94/62/1069509462.db2.gz PFYSSTSYNSKSKE-BBWFWOEESA-N 1 1 423.539 -0.056 20 0 HBADMO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000551145543 1069509483 /nfs/dbraw/zinc/50/94/83/1069509483.db2.gz PFYSSTSYNSKSKE-IKGGRYGDSA-N 1 1 423.539 -0.056 20 0 HBADMO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cn1 ZINC000551145544 1069509502 /nfs/dbraw/zinc/50/95/02/1069509502.db2.gz PFYSSTSYNSKSKE-ULQDDVLXSA-N 1 1 423.539 -0.056 20 0 HBADMO CCn1cc([C@@H]2CS(=O)(=O)CCN2C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cn1 ZINC000551145545 1069509429 /nfs/dbraw/zinc/50/94/29/1069509429.db2.gz PFYSSTSYNSKSKE-ZACQAIPSSA-N 1 1 423.539 -0.056 20 0 HBADMO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551145686 1069509556 /nfs/dbraw/zinc/50/95/56/1069509556.db2.gz UBGDGMRARWSGJB-KBPBESRZSA-N 1 1 404.558 -0.776 20 0 HBADMO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000551145688 1069509518 /nfs/dbraw/zinc/50/95/18/1069509518.db2.gz UBGDGMRARWSGJB-KGLIPLIRSA-N 1 1 404.558 -0.776 20 0 HBADMO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551145689 1069509411 /nfs/dbraw/zinc/50/94/11/1069509411.db2.gz UBGDGMRARWSGJB-UONOGXRCSA-N 1 1 404.558 -0.776 20 0 HBADMO O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000551145690 1069509423 /nfs/dbraw/zinc/50/94/23/1069509423.db2.gz UBGDGMRARWSGJB-ZIAGYGMSSA-N 1 1 404.558 -0.776 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147899 1069509988 /nfs/dbraw/zinc/50/99/88/1069509988.db2.gz DTAZQHNIYALYGA-DOTOQJQBSA-N 1 1 408.547 -0.561 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147908 1069510249 /nfs/dbraw/zinc/51/02/49/1069510249.db2.gz DTAZQHNIYALYGA-NVXWUHKLSA-N 1 1 408.547 -0.561 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147909 1069510018 /nfs/dbraw/zinc/51/00/18/1069510018.db2.gz DTAZQHNIYALYGA-RDJZCZTQSA-N 1 1 408.547 -0.561 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551147910 1069510074 /nfs/dbraw/zinc/51/00/74/1069510074.db2.gz DTAZQHNIYALYGA-WBVHZDCISA-N 1 1 408.547 -0.561 20 0 HBADMO C[C@H](CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1)CN1CC[NH+](C)CC1 ZINC000551150945 1069509950 /nfs/dbraw/zinc/50/99/50/1069509950.db2.gz GKIQASSSJDHNAG-GOSISDBHSA-N 1 1 402.543 -0.275 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1)CN1CC[NH+](C)CC1 ZINC000551150946 1069510003 /nfs/dbraw/zinc/51/00/03/1069510003.db2.gz GKIQASSSJDHNAG-SFHVURJKSA-N 1 1 402.543 -0.275 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000551151489 1069510688 /nfs/dbraw/zinc/51/06/88/1069510688.db2.gz LFYAYGPBZAHDQM-NEWSRXKRSA-N 1 1 420.558 -0.656 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)CC1 ZINC000551151490 1069510712 /nfs/dbraw/zinc/51/07/12/1069510712.db2.gz LFYAYGPBZAHDQM-WDSOQIARSA-N 1 1 420.558 -0.656 20 0 HBADMO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)on1 ZINC000551151906 1069510784 /nfs/dbraw/zinc/51/07/84/1069510784.db2.gz KZYOIFFUCGNUPI-INIZCTEOSA-N 1 1 406.531 -0.373 20 0 HBADMO Cc1cc(CN2CCN(C(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)on1 ZINC000551151907 1069510566 /nfs/dbraw/zinc/51/05/66/1069510566.db2.gz KZYOIFFUCGNUPI-MRXNPFEDSA-N 1 1 406.531 -0.373 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)CC1 ZINC000551152775 1069510551 /nfs/dbraw/zinc/51/05/51/1069510551.db2.gz SRSGORATCUQYER-IBGZPJMESA-N 1 1 411.591 -0.055 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)CC1 ZINC000551152777 1069510647 /nfs/dbraw/zinc/51/06/47/1069510647.db2.gz SRSGORATCUQYER-LJQANCHMSA-N 1 1 411.591 -0.055 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(=O)n(C)c1=O ZINC000551157747 1069513005 /nfs/dbraw/zinc/51/30/05/1069513005.db2.gz CCXFVGQOCQXELE-CVEARBPZSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(=O)n(C)c1=O ZINC000551157747 1069512998 /nfs/dbraw/zinc/51/29/98/1069512998.db2.gz CCXFVGQOCQXELE-CVEARBPZSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(=O)n(C)c1=O ZINC000551157761 1069512938 /nfs/dbraw/zinc/51/29/38/1069512938.db2.gz CCXFVGQOCQXELE-HOTGVXAUSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(=O)n(C)c1=O ZINC000551157761 1069512927 /nfs/dbraw/zinc/51/29/27/1069512927.db2.gz CCXFVGQOCQXELE-HOTGVXAUSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)c(=O)n(C)c1=O ZINC000551157763 1069512862 /nfs/dbraw/zinc/51/28/62/1069512862.db2.gz CCXFVGQOCQXELE-HZPDHXFCSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(=O)n(C)c1=O ZINC000551157763 1069512858 /nfs/dbraw/zinc/51/28/58/1069512858.db2.gz CCXFVGQOCQXELE-HZPDHXFCSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)c(=O)n(C)c1=O ZINC000551157765 1069513052 /nfs/dbraw/zinc/51/30/52/1069513052.db2.gz CCXFVGQOCQXELE-JKSUJKDBSA-N 1 1 422.507 -0.755 20 0 HBADMO Cn1cc(S(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(=O)n(C)c1=O ZINC000551157765 1069513048 /nfs/dbraw/zinc/51/30/48/1069513048.db2.gz CCXFVGQOCQXELE-JKSUJKDBSA-N 1 1 422.507 -0.755 20 0 HBADMO CCc1nsc(N2CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC2)n1 ZINC000551159892 1069513510 /nfs/dbraw/zinc/51/35/10/1069513510.db2.gz WFOCFNBXZKEUSE-UHFFFAOYSA-N 1 1 423.587 -0.107 20 0 HBADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000551164547 1069513322 /nfs/dbraw/zinc/51/33/22/1069513322.db2.gz WNWDPGIBMSAQCD-IYBDPMFKSA-N 1 1 402.561 -0.036 20 0 HBADMO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000551165757 1069513912 /nfs/dbraw/zinc/51/39/12/1069513912.db2.gz XZFYLZDFAPKWSX-UHFFFAOYSA-N 1 1 424.590 -0.857 20 0 HBADMO Cc1nccc(N2CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC2)n1 ZINC000551165899 1069513415 /nfs/dbraw/zinc/51/34/15/1069513415.db2.gz UJQVHJVGPDRHJF-UHFFFAOYSA-N 1 1 403.531 -0.423 20 0 HBADMO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000551166493 1069514214 /nfs/dbraw/zinc/51/42/14/1069514214.db2.gz NOSPPZLARJPWQA-KRWDZBQOSA-N 1 1 405.547 -0.351 20 0 HBADMO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000551166494 1069514229 /nfs/dbraw/zinc/51/42/29/1069514229.db2.gz NOSPPZLARJPWQA-QGZVFWFLSA-N 1 1 405.547 -0.351 20 0 HBADMO Cc1cc(CN2CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC2)no1 ZINC000551166641 1069514170 /nfs/dbraw/zinc/51/41/70/1069514170.db2.gz RVWPKWVSZVHHSF-UHFFFAOYSA-N 1 1 406.531 -0.229 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000551170866 1069512234 /nfs/dbraw/zinc/51/22/34/1069512234.db2.gz KFWPFWCALAHAPL-UHFFFAOYSA-N 1 1 405.547 -0.397 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551173059 1069512161 /nfs/dbraw/zinc/51/21/61/1069512161.db2.gz SPFCJRVWUSNKQN-KRWDZBQOSA-N 1 1 408.547 -0.417 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551173061 1069512184 /nfs/dbraw/zinc/51/21/84/1069512184.db2.gz SPFCJRVWUSNKQN-QGZVFWFLSA-N 1 1 408.547 -0.417 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000551174075 1069512217 /nfs/dbraw/zinc/51/22/17/1069512217.db2.gz IGUBYONDKNZDOM-FOIQADDNSA-N 1 1 410.515 -0.500 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000551174076 1069512101 /nfs/dbraw/zinc/51/21/01/1069512101.db2.gz IGUBYONDKNZDOM-MGPUTAFESA-N 1 1 410.515 -0.500 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000551174077 1069512277 /nfs/dbraw/zinc/51/22/77/1069512277.db2.gz IGUBYONDKNZDOM-QRWLVFNGSA-N 1 1 410.515 -0.500 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000551174078 1069512249 /nfs/dbraw/zinc/51/22/49/1069512249.db2.gz IGUBYONDKNZDOM-YWZLYKJASA-N 1 1 410.515 -0.500 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000551181076 1069517271 /nfs/dbraw/zinc/51/72/71/1069517271.db2.gz KAHXBCXGMFKOBD-DOTOQJQBSA-N 1 1 423.558 -0.144 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000551181077 1069517389 /nfs/dbraw/zinc/51/73/89/1069517389.db2.gz KAHXBCXGMFKOBD-NVXWUHKLSA-N 1 1 423.558 -0.144 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000551181078 1069517291 /nfs/dbraw/zinc/51/72/91/1069517291.db2.gz KAHXBCXGMFKOBD-RDJZCZTQSA-N 1 1 423.558 -0.144 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000551181079 1069517519 /nfs/dbraw/zinc/51/75/19/1069517519.db2.gz KAHXBCXGMFKOBD-WBVHZDCISA-N 1 1 423.558 -0.144 20 0 HBADMO CCc1nsc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC(=O)NC)CC3)CC2)n1 ZINC000551187172 1069514991 /nfs/dbraw/zinc/51/49/91/1069514991.db2.gz CNQXZDDDHKXXFL-UHFFFAOYSA-N 1 1 423.543 -0.924 20 0 HBADMO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551187192 1069515750 /nfs/dbraw/zinc/51/57/50/1069515750.db2.gz DMUQAANQBMCSGQ-GOSISDBHSA-N 1 1 415.538 -0.049 20 0 HBADMO CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000551187193 1069515868 /nfs/dbraw/zinc/51/58/68/1069515868.db2.gz DMUQAANQBMCSGQ-SFHVURJKSA-N 1 1 415.538 -0.049 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000551187237 1069515156 /nfs/dbraw/zinc/51/51/56/1069515156.db2.gz AYDJQZIIPYGPFS-UHFFFAOYSA-N 1 1 412.494 -0.126 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCn2cnc3ccccc32)CC1 ZINC000551187263 1069515245 /nfs/dbraw/zinc/51/52/45/1069515245.db2.gz FWYJSLLEYWEMSP-UHFFFAOYSA-N 1 1 400.483 -0.131 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000551187371 1069515091 /nfs/dbraw/zinc/51/50/91/1069515091.db2.gz ITVTXTSLMDTASJ-NRFANRHFSA-N 1 1 424.542 -0.110 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000551187374 1069515293 /nfs/dbraw/zinc/51/52/93/1069515293.db2.gz ITVTXTSLMDTASJ-OAQYLSRUSA-N 1 1 424.542 -0.110 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@](C)(C(=O)OC)C2)CC1 ZINC000551187508 1069515265 /nfs/dbraw/zinc/51/52/65/1069515265.db2.gz HGULYVNOASHNTI-JLTOFOAXSA-N 1 1 410.515 -0.249 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000551187552 1069515172 /nfs/dbraw/zinc/51/51/72/1069515172.db2.gz IVJLKWJICXCMLR-KRWDZBQOSA-N 1 1 415.494 -0.597 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000551187554 1069515287 /nfs/dbraw/zinc/51/52/87/1069515287.db2.gz IVJLKWJICXCMLR-QGZVFWFLSA-N 1 1 415.494 -0.597 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(F)ccc3F)CC2)CC1 ZINC000551187557 1069515234 /nfs/dbraw/zinc/51/52/34/1069515234.db2.gz NOMVRFWQDCSFTI-UHFFFAOYSA-N 1 1 423.464 -0.060 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)CC1 ZINC000551187572 1069515303 /nfs/dbraw/zinc/51/53/03/1069515303.db2.gz JKGCOYIHUOVTLR-UHFFFAOYSA-N 1 1 412.494 -0.126 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCc3cccc(OC)c3CC2)CC1 ZINC000551187600 1069515223 /nfs/dbraw/zinc/51/52/23/1069515223.db2.gz KFHKLICKBWORDT-UHFFFAOYSA-N 1 1 402.495 -0.051 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)CC1 ZINC000551187620 1069515276 /nfs/dbraw/zinc/51/52/76/1069515276.db2.gz OMQQKTYDUCVMRE-UHFFFAOYSA-N 1 1 401.511 -0.030 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000551187642 1069515111 /nfs/dbraw/zinc/51/51/11/1069515111.db2.gz PDGMFSTUKHDXTO-WBVHZDCISA-N 1 1 421.542 -0.390 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000551187671 1069514675 /nfs/dbraw/zinc/51/46/75/1069514675.db2.gz KRGKPCLTMJDTQI-GOSISDBHSA-N 1 1 401.511 -0.172 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000551187673 1069514540 /nfs/dbraw/zinc/51/45/40/1069514540.db2.gz KRGKPCLTMJDTQI-SFHVURJKSA-N 1 1 401.511 -0.172 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)CC1 ZINC000551187696 1069514721 /nfs/dbraw/zinc/51/47/21/1069514721.db2.gz LDCIHCOGMRKRLC-INIZCTEOSA-N 1 1 423.558 -0.192 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)CC1 ZINC000551187697 1069514529 /nfs/dbraw/zinc/51/45/29/1069514529.db2.gz LDCIHCOGMRKRLC-MRXNPFEDSA-N 1 1 423.558 -0.192 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3csc(C)n3)CC2)CC1 ZINC000551187702 1069515255 /nfs/dbraw/zinc/51/52/55/1069515255.db2.gz QWHMYIRPBBNPQR-UHFFFAOYSA-N 1 1 422.555 -0.578 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC)C(=O)[C@@H]2CC)CC1 ZINC000551187721 1069515187 /nfs/dbraw/zinc/51/51/87/1069515187.db2.gz LGUYCPANMBYOKE-INIZCTEOSA-N 1 1 409.531 -0.438 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CC)C(=O)[C@H]2CC)CC1 ZINC000551187728 1069515036 /nfs/dbraw/zinc/51/50/36/1069515036.db2.gz LGUYCPANMBYOKE-MRXNPFEDSA-N 1 1 409.531 -0.438 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)CC1 ZINC000551187917 1069514612 /nfs/dbraw/zinc/51/46/12/1069514612.db2.gz WQELPYOZMHBMNL-INIZCTEOSA-N 1 1 416.526 -0.387 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)c3cccnc3)CC2)CC1 ZINC000551187919 1069514703 /nfs/dbraw/zinc/51/47/03/1069514703.db2.gz WQELPYOZMHBMNL-MRXNPFEDSA-N 1 1 416.526 -0.387 20 0 HBADMO CNC(=O)CN1CCC(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000551187941 1069514622 /nfs/dbraw/zinc/51/46/22/1069514622.db2.gz PWFDQYMWPULLNQ-UHFFFAOYSA-N 1 1 407.490 -0.300 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551188034 1069514584 /nfs/dbraw/zinc/51/45/84/1069514584.db2.gz YTXLKWKUXOMEJS-GASCZTMLSA-N 1 1 411.547 -0.683 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000551188035 1069514510 /nfs/dbraw/zinc/51/45/10/1069514510.db2.gz YTXLKWKUXOMEJS-GJZGRUSLSA-N 1 1 411.547 -0.683 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551188036 1069514567 /nfs/dbraw/zinc/51/45/67/1069514567.db2.gz YTXLKWKUXOMEJS-HUUCEWRRSA-N 1 1 411.547 -0.683 20 0 HBADMO CNC(=O)CN1CCC(NC(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000551188044 1069514659 /nfs/dbraw/zinc/51/46/59/1069514659.db2.gz ZHCBTBGCPUJGMD-UHFFFAOYSA-N 1 1 403.527 -0.049 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 ZINC000551188065 1069514650 /nfs/dbraw/zinc/51/46/50/1069514650.db2.gz ZURKCNXWDFQXTD-GOSISDBHSA-N 1 1 418.494 -0.381 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 ZINC000551188066 1069514693 /nfs/dbraw/zinc/51/46/93/1069514693.db2.gz ZURKCNXWDFQXTD-SFHVURJKSA-N 1 1 418.494 -0.381 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000551188091 1069514713 /nfs/dbraw/zinc/51/47/13/1069514713.db2.gz VJDPSSMNILXEBV-KRWDZBQOSA-N 1 1 415.494 -0.423 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000551188093 1069514498 /nfs/dbraw/zinc/51/44/98/1069514498.db2.gz VJDPSSMNILXEBV-QGZVFWFLSA-N 1 1 415.494 -0.423 20 0 HBADMO C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000551188176 1069515860 /nfs/dbraw/zinc/51/58/60/1069515860.db2.gz XTVKUBVYDALCDC-PBHICJAKSA-N 1 1 405.480 -0.047 20 0 HBADMO C[N@H+]1CC[C@@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000551188177 1069515721 /nfs/dbraw/zinc/51/57/21/1069515721.db2.gz XTVKUBVYDALCDC-RHSMWYFYSA-N 1 1 405.480 -0.047 20 0 HBADMO C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@H]1c1ccccc1 ZINC000551188178 1069515810 /nfs/dbraw/zinc/51/58/10/1069515810.db2.gz XTVKUBVYDALCDC-WMLDXEAASA-N 1 1 405.480 -0.047 20 0 HBADMO C[N@H+]1CC[C@H](NC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)[C@@H]1c1ccccc1 ZINC000551188179 1069515660 /nfs/dbraw/zinc/51/56/60/1069515660.db2.gz XTVKUBVYDALCDC-YOEHRIQHSA-N 1 1 405.480 -0.047 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000551188275 1069515853 /nfs/dbraw/zinc/51/58/53/1069515853.db2.gz ZEOSUUHTRBAXLL-AWEZNQCLSA-N 1 1 423.464 -0.014 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 ZINC000551188276 1069515848 /nfs/dbraw/zinc/51/58/48/1069515848.db2.gz ZEOSUUHTRBAXLL-CQSZACIVSA-N 1 1 423.464 -0.014 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccc(Cn3cccn3)c2)CC1 ZINC000551188533 1069515545 /nfs/dbraw/zinc/51/55/45/1069515545.db2.gz CCPHKUZITBQTEG-UHFFFAOYSA-N 1 1 412.494 -0.126 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3C)CC2)CC1 ZINC000551188942 1069515619 /nfs/dbraw/zinc/51/56/19/1069515619.db2.gz LHIJUXPRANOTII-UHFFFAOYSA-N 1 1 415.538 -0.034 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000551189342 1069516211 /nfs/dbraw/zinc/51/62/11/1069516211.db2.gz UIYSJKQXAUMXOP-UHFFFAOYSA-N 1 1 402.499 -0.948 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nc(C)c(C)s3)CC2)CC1 ZINC000551189406 1069516166 /nfs/dbraw/zinc/51/61/66/1069516166.db2.gz XDHBEFCNQMLPDD-UHFFFAOYSA-N 1 1 422.555 -0.265 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000551189566 1069516317 /nfs/dbraw/zinc/51/63/17/1069516317.db2.gz ZFAQLXHUHCTYGI-GOSISDBHSA-N 1 1 418.494 -0.078 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000551189567 1069516403 /nfs/dbraw/zinc/51/64/03/1069516403.db2.gz ZFAQLXHUHCTYGI-SFHVURJKSA-N 1 1 418.494 -0.078 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ncccc3F)CC2)CC1 ZINC000551190217 1069516944 /nfs/dbraw/zinc/51/69/44/1069516944.db2.gz BKDKRRYBLQVZET-UHFFFAOYSA-N 1 1 406.462 -0.804 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000551190514 1069516258 /nfs/dbraw/zinc/51/62/58/1069516258.db2.gz HIQHJAMJASHJIE-DLBZAZTESA-N 1 1 409.531 -0.927 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000551190515 1069516344 /nfs/dbraw/zinc/51/63/44/1069516344.db2.gz HIQHJAMJASHJIE-IAGOWNOFSA-N 1 1 409.531 -0.927 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000551190516 1069516366 /nfs/dbraw/zinc/51/63/66/1069516366.db2.gz HIQHJAMJASHJIE-IRXDYDNUSA-N 1 1 409.531 -0.927 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000551190517 1069516335 /nfs/dbraw/zinc/51/63/35/1069516335.db2.gz HIQHJAMJASHJIE-SJORKVTESA-N 1 1 409.531 -0.927 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000551191048 1069516431 /nfs/dbraw/zinc/51/64/31/1069516431.db2.gz RRJJLSJGGCFOKE-FQEVSTJZSA-N 1 1 407.515 -0.778 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000551191049 1069516293 /nfs/dbraw/zinc/51/62/93/1069516293.db2.gz RRJJLSJGGCFOKE-HXUWFJFHSA-N 1 1 407.515 -0.778 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cc(OC)cc(OC)c2)CC1 ZINC000551191311 1069516787 /nfs/dbraw/zinc/51/67/87/1069516787.db2.gz WTIGXSXECCUSSR-UHFFFAOYSA-N 1 1 406.483 -0.011 20 0 HBADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000551191487 1069516677 /nfs/dbraw/zinc/51/66/77/1069516677.db2.gz BCWAAMQFLMPDJR-UHFFFAOYSA-N 1 1 424.590 -0.765 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000551191854 1069516818 /nfs/dbraw/zinc/51/68/18/1069516818.db2.gz JMNDHSFMPVDFQU-INIZCTEOSA-N 1 1 417.510 -0.283 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 ZINC000551191855 1069516896 /nfs/dbraw/zinc/51/68/96/1069516896.db2.gz JMNDHSFMPVDFQU-MRXNPFEDSA-N 1 1 417.510 -0.283 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC000551191952 1069516916 /nfs/dbraw/zinc/51/69/16/1069516916.db2.gz ODOHJAGDSIDKDV-GFCCVEGCSA-N 1 1 407.437 -0.592 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC000551192050 1069516750 /nfs/dbraw/zinc/51/67/50/1069516750.db2.gz ODOHJAGDSIDKDV-LBPRGKRZSA-N 1 1 407.437 -0.592 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000551192242 1069517916 /nfs/dbraw/zinc/51/79/16/1069517916.db2.gz FIBDNRAEHKWGSB-INIZCTEOSA-N 1 1 422.530 -0.844 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000551192243 1069518013 /nfs/dbraw/zinc/51/80/13/1069518013.db2.gz FIBDNRAEHKWGSB-MRXNPFEDSA-N 1 1 422.530 -0.844 20 0 HBADMO C[C@H](O)CN(C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)CO ZINC000551196462 1069518923 /nfs/dbraw/zinc/51/89/23/1069518923.db2.gz BRYOSCKMUINMJV-BZSNNMDCSA-N 1 1 406.527 -0.097 20 0 HBADMO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000551196463 1069519045 /nfs/dbraw/zinc/51/90/45/1069519045.db2.gz BRYOSCKMUINMJV-KSZLIROESA-N 1 1 406.527 -0.097 20 0 HBADMO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000551196464 1069519123 /nfs/dbraw/zinc/51/91/23/1069519123.db2.gz BRYOSCKMUINMJV-KURKYZTESA-N 1 1 406.527 -0.097 20 0 HBADMO C[C@H](CNC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)[NH+]1CCN(c2ccccc2)CC1 ZINC000551196465 1069518907 /nfs/dbraw/zinc/51/89/07/1069518907.db2.gz BRYOSCKMUINMJV-SQNIBIBYSA-N 1 1 406.527 -0.097 20 0 HBADMO 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COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552176400 1069772313 /nfs/dbraw/zinc/77/23/13/1069772313.db2.gz FCHVHARYACDJQB-HZPDHXFCSA-N 1 1 409.531 -0.975 20 0 HBADMO COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000552176401 1069772056 /nfs/dbraw/zinc/77/20/56/1069772056.db2.gz FCHVHARYACDJQB-JKSUJKDBSA-N 1 1 409.531 -0.975 20 0 HBADMO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1)NCc1ccccc1 ZINC000552176977 1069771542 /nfs/dbraw/zinc/77/15/42/1069771542.db2.gz YDJGUFKDRDAPRE-GOSISDBHSA-N 1 1 413.522 -0.200 20 0 HBADMO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1)NCc1ccccc1 ZINC000552176978 1069771636 /nfs/dbraw/zinc/77/16/36/1069771636.db2.gz YDJGUFKDRDAPRE-SFHVURJKSA-N 1 1 413.522 -0.200 20 0 HBADMO C[N@@H+](CCN1CCN(C(=O)CN2CCS(=O)(=O)CC2)CC1)Cc1ccccc1 ZINC000552182037 1069773104 /nfs/dbraw/zinc/77/31/04/1069773104.db2.gz DWFXLKCBRMPGJP-UHFFFAOYSA-N 1 1 408.568 -0.007 20 0 HBADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000552185215 1069775297 /nfs/dbraw/zinc/77/52/97/1069775297.db2.gz NKWDPCLKUYQXMO-FGTMMUONSA-N 1 1 419.570 -0.012 20 0 HBADMO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000552185216 1069775401 /nfs/dbraw/zinc/77/54/01/1069775401.db2.gz NKWDPCLKUYQXMO-KSZLIROESA-N 1 1 419.570 -0.012 20 0 HBADMO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000552185217 1069775274 /nfs/dbraw/zinc/77/52/74/1069775274.db2.gz NKWDPCLKUYQXMO-KURKYZTESA-N 1 1 419.570 -0.012 20 0 HBADMO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)C1 ZINC000552185218 1069775385 /nfs/dbraw/zinc/77/53/85/1069775385.db2.gz NKWDPCLKUYQXMO-KZNAEPCWSA-N 1 1 419.570 -0.012 20 0 HBADMO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552189279 1069775429 /nfs/dbraw/zinc/77/54/29/1069775429.db2.gz HWORNVCMVOPVHK-GDBMZVCRSA-N 1 1 416.544 -0.762 20 0 HBADMO COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552189280 1069775341 /nfs/dbraw/zinc/77/53/41/1069775341.db2.gz HWORNVCMVOPVHK-GOEBONIOSA-N 1 1 416.544 -0.762 20 0 HBADMO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552189281 1069775152 /nfs/dbraw/zinc/77/51/52/1069775152.db2.gz HWORNVCMVOPVHK-HOCLYGCPSA-N 1 1 416.544 -0.762 20 0 HBADMO COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000552189282 1069775190 /nfs/dbraw/zinc/77/51/90/1069775190.db2.gz HWORNVCMVOPVHK-ZBFHGGJFSA-N 1 1 416.544 -0.762 20 0 HBADMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552189417 1069775246 /nfs/dbraw/zinc/77/52/46/1069775246.db2.gz NUKLHDIMQDLCTK-HNNXBMFYSA-N 1 1 418.519 -0.057 20 0 HBADMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000552189418 1069775358 /nfs/dbraw/zinc/77/53/58/1069775358.db2.gz NUKLHDIMQDLCTK-OAHLLOKOSA-N 1 1 418.519 -0.057 20 0 HBADMO C[NH+]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000552240983 1069777257 /nfs/dbraw/zinc/77/72/57/1069777257.db2.gz ZSFDQNVRNCVWSW-UHFFFAOYSA-N 1 1 424.523 -0.462 20 0 HBADMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000552303958 1069781218 /nfs/dbraw/zinc/78/12/18/1069781218.db2.gz ZNAXOFPWOZRSCN-CZUORRHYSA-N 1 1 400.501 -0.437 20 0 HBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)CC1 ZINC000552309117 1069781872 /nfs/dbraw/zinc/78/18/72/1069781872.db2.gz WGBXBOXOUYQWND-UHFFFAOYSA-N 1 1 412.512 -0.495 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)CC1=O ZINC000552346270 1069786981 /nfs/dbraw/zinc/78/69/81/1069786981.db2.gz DNWFUBQXIWAHSM-INIZCTEOSA-N 1 1 412.437 -0.010 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CNC(=O)c2cc(F)cc(F)c2)CC1=O ZINC000552346271 1069787071 /nfs/dbraw/zinc/78/70/71/1069787071.db2.gz DNWFUBQXIWAHSM-MRXNPFEDSA-N 1 1 412.437 -0.010 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000552350141 1069787693 /nfs/dbraw/zinc/78/76/93/1069787693.db2.gz UPCDMSVCCIKMNC-UHFFFAOYSA-N 1 1 422.511 -0.536 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1=O ZINC000552350232 1069787791 /nfs/dbraw/zinc/78/77/91/1069787791.db2.gz VRNQVIPBSXTZQB-HNNXBMFYSA-N 1 1 415.494 -0.229 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cc2nn(C)c(=O)c3ccccc23)CC1=O ZINC000552350233 1069787994 /nfs/dbraw/zinc/78/79/94/1069787994.db2.gz VRNQVIPBSXTZQB-OAHLLOKOSA-N 1 1 415.494 -0.229 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)CC1=O ZINC000552351119 1069787623 /nfs/dbraw/zinc/78/76/23/1069787623.db2.gz QJPYJTKSCIQUFL-HNNXBMFYSA-N 1 1 403.487 -0.177 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2c(C)nn(C)c2-n2cccn2)CC1=O ZINC000552351120 1069787832 /nfs/dbraw/zinc/78/78/32/1069787832.db2.gz QJPYJTKSCIQUFL-OAHLLOKOSA-N 1 1 403.487 -0.177 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccnc2N2CCOCC2)CC1=O ZINC000552351339 1069788069 /nfs/dbraw/zinc/78/80/69/1069788069.db2.gz VNQJGCRUJKTCRA-INIZCTEOSA-N 1 1 405.499 -0.173 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccnc2N2CCOCC2)CC1=O ZINC000552351340 1069787961 /nfs/dbraw/zinc/78/79/61/1069787961.db2.gz VNQJGCRUJKTCRA-MRXNPFEDSA-N 1 1 405.499 -0.173 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC1=O ZINC000552352878 1069785494 /nfs/dbraw/zinc/78/54/94/1069785494.db2.gz WLIHBNYSVFIPOZ-GOSISDBHSA-N 1 1 420.558 -0.073 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)CC1=O ZINC000552352879 1069785630 /nfs/dbraw/zinc/78/56/30/1069785630.db2.gz WLIHBNYSVFIPOZ-SFHVURJKSA-N 1 1 420.558 -0.073 20 0 HBADMO CC(C)OCCS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552358063 1069790285 /nfs/dbraw/zinc/79/02/85/1069790285.db2.gz HBRGQOVDWBRTKY-MQVJKMGUSA-N 1 1 418.560 -0.469 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358926 1069787925 /nfs/dbraw/zinc/78/79/25/1069787925.db2.gz DZYNUWCWAQVNIM-DLBZAZTESA-N 1 1 421.542 -0.485 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358927 1069787597 /nfs/dbraw/zinc/78/75/97/1069787597.db2.gz DZYNUWCWAQVNIM-IAGOWNOFSA-N 1 1 421.542 -0.485 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358928 1069788045 /nfs/dbraw/zinc/78/80/45/1069788045.db2.gz DZYNUWCWAQVNIM-IRXDYDNUSA-N 1 1 421.542 -0.485 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1=O ZINC000552358929 1069788471 /nfs/dbraw/zinc/78/84/71/1069788471.db2.gz DZYNUWCWAQVNIM-SJORKVTESA-N 1 1 421.542 -0.485 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1=O ZINC000552360556 1069788674 /nfs/dbraw/zinc/78/86/74/1069788674.db2.gz KDEKEWVYDSJXPY-AWEZNQCLSA-N 1 1 404.471 -0.831 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)Cc2c(C)[nH]c3ccnn3c2=O)CC1=O ZINC000552360563 1069788601 /nfs/dbraw/zinc/78/86/01/1069788601.db2.gz KDEKEWVYDSJXPY-CQSZACIVSA-N 1 1 404.471 -0.831 20 0 HBADMO COCCCS(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000552362092 1069788522 /nfs/dbraw/zinc/78/85/22/1069788522.db2.gz HVESRUWSEDAJFJ-GOOCMWNKSA-N 1 1 404.533 -0.858 20 0 HBADMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000552366165 1069788645 /nfs/dbraw/zinc/78/86/45/1069788645.db2.gz OXNXGDFLLCLJQM-AWEZNQCLSA-N 1 1 415.516 -0.553 20 0 HBADMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000552366166 1069788492 /nfs/dbraw/zinc/78/84/92/1069788492.db2.gz OXNXGDFLLCLJQM-CQSZACIVSA-N 1 1 415.516 -0.553 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1C ZINC000552395045 1069790376 /nfs/dbraw/zinc/79/03/76/1069790376.db2.gz UHDXNLQZTQOJMP-CYBMUJFWSA-N 1 1 423.495 -0.063 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@H]1C ZINC000552395045 1069790368 /nfs/dbraw/zinc/79/03/68/1069790368.db2.gz UHDXNLQZTQOJMP-CYBMUJFWSA-N 1 1 423.495 -0.063 20 0 HBADMO COC(=O)CC[N@H+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@@H]1C ZINC000552395046 1069790096 /nfs/dbraw/zinc/79/00/96/1069790096.db2.gz UHDXNLQZTQOJMP-ZDUSSCGKSA-N 1 1 423.495 -0.063 20 0 HBADMO COC(=O)CC[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C[C@@H]1C ZINC000552395046 1069790083 /nfs/dbraw/zinc/79/00/83/1069790083.db2.gz UHDXNLQZTQOJMP-ZDUSSCGKSA-N 1 1 423.495 -0.063 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000552438461 1069795365 /nfs/dbraw/zinc/79/53/65/1069795365.db2.gz YFGAMEFTKJNBOM-MSOLQXFVSA-N 1 1 417.510 -0.218 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000552438462 1069795198 /nfs/dbraw/zinc/79/51/98/1069795198.db2.gz YFGAMEFTKJNBOM-QZTJIDSGSA-N 1 1 417.510 -0.218 20 0 HBADMO 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/nfs/dbraw/zinc/01/32/60/1070013260.db2.gz JHOLQYKZRTYTMP-OAHLLOKOSA-N 1 1 418.564 -0.891 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000553925391 1070016110 /nfs/dbraw/zinc/01/61/10/1070016110.db2.gz DEDQMKVHQBDHDS-HNNXBMFYSA-N 1 1 417.576 -0.148 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000553925395 1070016509 /nfs/dbraw/zinc/01/65/09/1070016509.db2.gz DEDQMKVHQBDHDS-OAHLLOKOSA-N 1 1 417.576 -0.148 20 0 HBADMO C[NH+](C)CCN(C(=O)CNS(=O)(=O)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000553928109 1070016296 /nfs/dbraw/zinc/01/62/96/1070016296.db2.gz BCXKNECBJNQENF-CYBMUJFWSA-N 1 1 421.516 -0.319 20 0 HBADMO C[NH+](C)CCN(C(=O)CNS(=O)(=O)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 ZINC000553928113 1070016144 /nfs/dbraw/zinc/01/61/44/1070016144.db2.gz BCXKNECBJNQENF-ZDUSSCGKSA-N 1 1 421.516 -0.319 20 0 HBADMO Cc1ccc(S(=O)(=O)NCC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000553931637 1070017059 /nfs/dbraw/zinc/01/70/59/1070017059.db2.gz 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404.581 -0.560 20 0 HBADMO Cn1ccnc1CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000553945064 1070018149 /nfs/dbraw/zinc/01/81/49/1070018149.db2.gz JCBPUMXAALXYBI-GOSISDBHSA-N 1 1 418.542 -0.222 20 0 HBADMO Cn1ccnc1CN1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000553945066 1070018438 /nfs/dbraw/zinc/01/84/38/1070018438.db2.gz JCBPUMXAALXYBI-SFHVURJKSA-N 1 1 418.542 -0.222 20 0 HBADMO COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@H]3CN(C)CCN3C)CCCC2)CC1 ZINC000553960953 1070017427 /nfs/dbraw/zinc/01/74/27/1070017427.db2.gz BEFMWJNOUKPWDX-KRWDZBQOSA-N 1 1 409.575 -0.112 20 0 HBADMO COC1CC[NH+](C2(CNC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CCCC2)CC1 ZINC000553960954 1070017602 /nfs/dbraw/zinc/01/76/02/1070017602.db2.gz BEFMWJNOUKPWDX-QGZVFWFLSA-N 1 1 409.575 -0.112 20 0 HBADMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000553997112 1070020594 /nfs/dbraw/zinc/02/05/94/1070020594.db2.gz SBGQYGLJBKDHIA-NEPJUHHUSA-N 1 1 403.471 -0.256 20 0 HBADMO 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/nfs/dbraw/zinc/02/62/65/1070026265.db2.gz RNHPKXVGISAYTE-KPLVRAHFSA-N 1 1 418.538 -0.083 20 0 HBADMO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554042262 1070026503 /nfs/dbraw/zinc/02/65/03/1070026503.db2.gz RNHPKXVGISAYTE-LQBOVUBWSA-N 1 1 418.538 -0.083 20 0 HBADMO C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554042263 1070025836 /nfs/dbraw/zinc/02/58/36/1070025836.db2.gz RNHPKXVGISAYTE-LRXVAGHRSA-N 1 1 418.538 -0.083 20 0 HBADMO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)nc1 ZINC000554042393 1070025883 /nfs/dbraw/zinc/02/58/83/1070025883.db2.gz SJKYQKRZDIUZSY-DLBZAZTESA-N 1 1 416.526 -0.071 20 0 HBADMO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)nc1 ZINC000554042394 1070025982 /nfs/dbraw/zinc/02/59/82/1070025982.db2.gz SJKYQKRZDIUZSY-IAGOWNOFSA-N 1 1 416.526 -0.071 20 0 HBADMO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)nc1 ZINC000554042395 1070026469 /nfs/dbraw/zinc/02/64/69/1070026469.db2.gz SJKYQKRZDIUZSY-IRXDYDNUSA-N 1 1 416.526 -0.071 20 0 HBADMO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)nc1 ZINC000554042396 1070026166 /nfs/dbraw/zinc/02/61/66/1070026166.db2.gz SJKYQKRZDIUZSY-SJORKVTESA-N 1 1 416.526 -0.071 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000554042724 1070026085 /nfs/dbraw/zinc/02/60/85/1070026085.db2.gz CODVOLVDGQCNRC-KRWDZBQOSA-N 1 1 411.510 -0.427 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCn2c(Cc3ccccc3)nnc2C1 ZINC000554042725 1070026311 /nfs/dbraw/zinc/02/63/11/1070026311.db2.gz CODVOLVDGQCNRC-QGZVFWFLSA-N 1 1 411.510 -0.427 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000554042758 1070026361 /nfs/dbraw/zinc/02/63/61/1070026361.db2.gz ZBVDPBRPGSVTDH-AWEZNQCLSA-N 1 1 413.473 -0.716 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000554042759 1070026034 /nfs/dbraw/zinc/02/60/34/1070026034.db2.gz ZBVDPBRPGSVTDH-CQSZACIVSA-N 1 1 413.473 -0.716 20 0 HBADMO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554043231 1070026903 /nfs/dbraw/zinc/02/69/03/1070026903.db2.gz KHUHXEJSJXUDOS-AZUAARDMSA-N 1 1 416.570 -0.325 20 0 HBADMO C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554043236 1070026818 /nfs/dbraw/zinc/02/68/18/1070026818.db2.gz KHUHXEJSJXUDOS-ICSRJNTNSA-N 1 1 416.570 -0.325 20 0 HBADMO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000554043238 1070027098 /nfs/dbraw/zinc/02/70/98/1070027098.db2.gz KHUHXEJSJXUDOS-QUCCMNQESA-N 1 1 416.570 -0.325 20 0 HBADMO C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000554043240 1070027266 /nfs/dbraw/zinc/02/72/66/1070027266.db2.gz KHUHXEJSJXUDOS-UYAOXDASSA-N 1 1 416.570 -0.325 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000554067982 1070029136 /nfs/dbraw/zinc/02/91/36/1070029136.db2.gz WXDHTGBDXPOHRE-CVEARBPZSA-N 1 1 409.531 -0.628 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000554067983 1070029461 /nfs/dbraw/zinc/02/94/61/1070029461.db2.gz WXDHTGBDXPOHRE-HOTGVXAUSA-N 1 1 409.531 -0.628 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000554067984 1070029378 /nfs/dbraw/zinc/02/93/78/1070029378.db2.gz WXDHTGBDXPOHRE-HZPDHXFCSA-N 1 1 409.531 -0.628 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC000554067985 1070029240 /nfs/dbraw/zinc/02/92/40/1070029240.db2.gz WXDHTGBDXPOHRE-JKSUJKDBSA-N 1 1 409.531 -0.628 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000554105284 1070039082 /nfs/dbraw/zinc/03/90/82/1070039082.db2.gz RXWWTRNXVJNAMK-UHFFFAOYSA-N 1 1 411.547 -0.776 20 0 HBADMO CCS(=O)(=O)N1CC(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000554116286 1070036158 /nfs/dbraw/zinc/03/61/58/1070036158.db2.gz DFWNHECYYYGNRM-MQVJKMGUSA-N 1 1 415.560 -0.349 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000554123142 1070042910 /nfs/dbraw/zinc/04/29/10/1070042910.db2.gz FIDIKEUZTVIIMF-HNNXBMFYSA-N 1 1 420.489 -0.416 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000554123148 1070042878 /nfs/dbraw/zinc/04/28/78/1070042878.db2.gz FIDIKEUZTVIIMF-OAHLLOKOSA-N 1 1 420.489 -0.416 20 0 HBADMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)C[C@H](C)O1 ZINC000554124072 1070043107 /nfs/dbraw/zinc/04/31/07/1070043107.db2.gz IWYWGRLIMMQQFH-BBWFWOEESA-N 1 1 424.542 -0.160 20 0 HBADMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)C[C@H](C)O1 ZINC000554124072 1070043095 /nfs/dbraw/zinc/04/30/95/1070043095.db2.gz IWYWGRLIMMQQFH-BBWFWOEESA-N 1 1 424.542 -0.160 20 0 HBADMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)C[C@@H](C)O1 ZINC000554124075 1070042991 /nfs/dbraw/zinc/04/29/91/1070042991.db2.gz IWYWGRLIMMQQFH-BRWVUGGUSA-N 1 1 424.542 -0.160 20 0 HBADMO C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)C[C@H](C)O1 ZINC000554124076 1070043157 /nfs/dbraw/zinc/04/31/57/1070043157.db2.gz IWYWGRLIMMQQFH-IXDOHACOSA-N 1 1 424.542 -0.160 20 0 HBADMO C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N[C@@H]3CCC(=O)N(C)C3)CC2)C[C@H](C)O1 ZINC000554124076 1070043139 /nfs/dbraw/zinc/04/31/39/1070043139.db2.gz IWYWGRLIMMQQFH-IXDOHACOSA-N 1 1 424.542 -0.160 20 0 HBADMO C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N[C@H]3CCC(=O)N(C)C3)CC2)C[C@@H](C)O1 ZINC000554124078 1070043707 /nfs/dbraw/zinc/04/37/07/1070043707.db2.gz IWYWGRLIMMQQFH-ZACQAIPSSA-N 1 1 424.542 -0.160 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2c[nH]c3ncccc23)CC1 ZINC000554124269 1070043566 /nfs/dbraw/zinc/04/35/66/1070043566.db2.gz QRPBHPZBGNBCJH-UHFFFAOYSA-N 1 1 400.483 -0.110 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000554124746 1070043729 /nfs/dbraw/zinc/04/37/29/1070043729.db2.gz SMUHYYKDXRQQNF-UHFFFAOYSA-N 1 1 416.526 -0.605 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2COc3ccccc3O2)CC1 ZINC000554125065 1070044017 /nfs/dbraw/zinc/04/40/17/1070044017.db2.gz VKJQVJIXUWDCHU-INIZCTEOSA-N 1 1 418.494 -0.046 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000554125066 1070043799 /nfs/dbraw/zinc/04/37/99/1070043799.db2.gz VKJQVJIXUWDCHU-MRXNPFEDSA-N 1 1 418.494 -0.046 20 0 HBADMO C[C@@H]1CN(CCN(C)C(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000554125611 1070044624 /nfs/dbraw/zinc/04/46/24/1070044624.db2.gz WZSBDCPVJHYOOA-IYBDPMFKSA-N 1 1 411.547 -0.777 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@H]2c2cnn(C)c2)CC1 ZINC000554129876 1070039523 /nfs/dbraw/zinc/03/95/23/1070039523.db2.gz LBZPASVWFDCODG-INIZCTEOSA-N 1 1 422.555 -0.295 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@@H]2c2cnn(C)c2)CC1 ZINC000554129878 1070039494 /nfs/dbraw/zinc/03/94/94/1070039494.db2.gz LBZPASVWFDCODG-MRXNPFEDSA-N 1 1 422.555 -0.295 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCSC3(CCOCC3)C2)CC1 ZINC000554129994 1070040051 /nfs/dbraw/zinc/04/00/51/1070040051.db2.gz NQPKANDLLNHMMG-UHFFFAOYSA-N 1 1 412.556 -0.220 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000554133059 1070040173 /nfs/dbraw/zinc/04/01/73/1070040173.db2.gz RUEPVPMMCLRWES-CYBMUJFWSA-N 1 1 407.437 -0.638 20 0 HBADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000554133064 1070041130 /nfs/dbraw/zinc/04/11/30/1070041130.db2.gz RUEPVPMMCLRWES-ZDUSSCGKSA-N 1 1 407.437 -0.638 20 0 HBADMO Cc1csc(N2CCN(C(=O)C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)CC2)n1 ZINC000554135991 1070046102 /nfs/dbraw/zinc/04/61/02/1070046102.db2.gz VMAXZBKOZHSNFT-UHFFFAOYSA-N 1 1 422.555 -0.231 20 0 HBADMO CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)[C@@H](C)C1 ZINC000554163658 1070048934 /nfs/dbraw/zinc/04/89/34/1070048934.db2.gz QNELNSOWBJOJBQ-JQHSSLGASA-N 1 1 412.531 -0.397 20 0 HBADMO 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HBADMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000555986807 1070271969 /nfs/dbraw/zinc/27/19/69/1070271969.db2.gz HDCJEJRTKKTPEE-HNNXBMFYSA-N 1 1 417.510 -0.279 20 0 HBADMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000555986808 1070271712 /nfs/dbraw/zinc/27/17/12/1070271712.db2.gz HDCJEJRTKKTPEE-OAHLLOKOSA-N 1 1 417.510 -0.279 20 0 HBADMO CCN(CC)c1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000555986809 1070271884 /nfs/dbraw/zinc/27/18/84/1070271884.db2.gz HHSMIJVOVOKTFB-UHFFFAOYSA-N 1 1 404.515 -0.176 20 0 HBADMO CCCC[N@@H+](C)CCNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000555987367 1070273152 /nfs/dbraw/zinc/27/31/52/1070273152.db2.gz VSVZDRWXPIVFRC-UHFFFAOYSA-N 1 1 417.510 -0.277 20 0 HBADMO Cn1ccc(CCNC(=O)C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000555987421 1070273193 /nfs/dbraw/zinc/27/31/93/1070273193.db2.gz XDDMAZGUHHEBEF-UHFFFAOYSA-N 1 1 412.494 -0.217 20 0 HBADMO C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C(=O)NCCCn3ccnn3)cc2)CC1 ZINC000555987662 1070273099 /nfs/dbraw/zinc/27/30/99/1070273099.db2.gz ZDHMPCGZRDUMDL-UHFFFAOYSA-N 1 1 413.482 -0.512 20 0 HBADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC000555992622 1070274546 /nfs/dbraw/zinc/27/45/46/1070274546.db2.gz JDHHANONFLSZFH-DAYGRLMNSA-N 1 1 418.494 -0.375 20 0 HBADMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC000555992625 1070274516 /nfs/dbraw/zinc/27/45/16/1070274516.db2.gz JDHHANONFLSZFH-RVKKMQEKSA-N 1 1 418.494 -0.375 20 0 HBADMO C[C@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cn2)CCO1 ZINC000555996591 1070272913 /nfs/dbraw/zinc/27/29/13/1070272913.db2.gz BYLOTHWQMNMQRV-INIZCTEOSA-N 1 1 419.526 -0.162 20 0 HBADMO C[C@@H]1CN(c2ccc(CNC(=O)C(=O)N3CC[NH+](CC(C)(C)O)CC3)cn2)CCO1 ZINC000555996592 1070272962 /nfs/dbraw/zinc/27/29/62/1070272962.db2.gz BYLOTHWQMNMQRV-MRXNPFEDSA-N 1 1 419.526 -0.162 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000555997897 1070275172 /nfs/dbraw/zinc/27/51/72/1070275172.db2.gz IQZNUBPSEFPKAO-INIZCTEOSA-N 1 1 406.483 -0.393 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1 ZINC000555997898 1070274970 /nfs/dbraw/zinc/27/49/70/1070274970.db2.gz IQZNUBPSEFPKAO-MRXNPFEDSA-N 1 1 406.483 -0.393 20 0 HBADMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000556005075 1070275012 /nfs/dbraw/zinc/27/50/12/1070275012.db2.gz DSGOIMPKRLNTDG-IBGZPJMESA-N 1 1 404.511 -0.028 20 0 HBADMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000556005076 1070274866 /nfs/dbraw/zinc/27/48/66/1070274866.db2.gz DSGOIMPKRLNTDG-LJQANCHMSA-N 1 1 404.511 -0.028 20 0 HBADMO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000556005360 1070275213 /nfs/dbraw/zinc/27/52/13/1070275213.db2.gz FFRAQDUZSFQDOV-KRWDZBQOSA-N 1 1 404.511 -0.028 20 0 HBADMO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000556005361 1070274780 /nfs/dbraw/zinc/27/47/80/1070274780.db2.gz FFRAQDUZSFQDOV-QGZVFWFLSA-N 1 1 404.511 -0.028 20 0 HBADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1(C)C ZINC000556005406 1070274240 /nfs/dbraw/zinc/27/42/40/1070274240.db2.gz GNQNJRCDXZGOFG-UHFFFAOYSA-N 1 1 418.542 -0.323 20 0 HBADMO O=C(NCc1cccnc1N1CCOCC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000556005595 1070274170 /nfs/dbraw/zinc/27/41/70/1070274170.db2.gz JKMUNXLHVFXBCW-UHFFFAOYSA-N 1 1 417.510 -0.142 20 0 HBADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000556006910 1070275242 /nfs/dbraw/zinc/27/52/42/1070275242.db2.gz XCVFHAWZOCVXPI-UHFFFAOYSA-N 1 1 419.526 -0.160 20 0 HBADMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000556006911 1070274806 /nfs/dbraw/zinc/27/48/06/1070274806.db2.gz XECGFOIKRGPBIP-QZTJIDSGSA-N 1 1 400.479 -0.128 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2cn(Cc3ccccc3)nn2)CC1 ZINC000556008486 1070276836 /nfs/dbraw/zinc/27/68/36/1070276836.db2.gz BZRUDDYEBRPTDU-UHFFFAOYSA-N 1 1 413.482 -0.113 20 0 HBADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000556051647 1070279871 /nfs/dbraw/zinc/27/98/71/1070279871.db2.gz GZJAKAJAQXQKIO-IBGZPJMESA-N 1 1 404.511 -0.028 20 0 HBADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000556051649 1070280409 /nfs/dbraw/zinc/28/04/09/1070280409.db2.gz GZJAKAJAQXQKIO-LJQANCHMSA-N 1 1 404.511 -0.028 20 0 HBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3COCCO3)cc2)CC1 ZINC000556052122 1071860816 /nfs/dbraw/zinc/86/08/16/1071860816.db2.gz CCZLQLHWXAARLK-IBGZPJMESA-N 1 1 404.511 -0.028 20 0 HBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3COCCO3)cc2)CC1 ZINC000556052123 1071860604 /nfs/dbraw/zinc/86/06/04/1071860604.db2.gz CCZLQLHWXAARLK-LJQANCHMSA-N 1 1 404.511 -0.028 20 0 HBADMO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(CCOC)C3)cn2)CC1 ZINC000556052289 1071860953 /nfs/dbraw/zinc/86/09/53/1071860953.db2.gz DKPBQHFGJLEWSR-GOSISDBHSA-N 1 1 418.542 -0.323 20 0 HBADMO CC[NH+]1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(CCOC)C3)cn2)CC1 ZINC000556052291 1071860729 /nfs/dbraw/zinc/86/07/29/1071860729.db2.gz DKPBQHFGJLEWSR-SFHVURJKSA-N 1 1 418.542 -0.323 20 0 HBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000556052865 1071860563 /nfs/dbraw/zinc/86/05/63/1071860563.db2.gz MAKDZOYBUDVLPC-GOSISDBHSA-N 1 1 417.510 -0.847 20 0 HBADMO CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000556052866 1071860774 /nfs/dbraw/zinc/86/07/74/1071860774.db2.gz MAKDZOYBUDVLPC-SFHVURJKSA-N 1 1 417.510 -0.847 20 0 HBADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000556053615 1071861711 /nfs/dbraw/zinc/86/17/11/1071861711.db2.gz WDRNHIIPZKOENJ-GOSISDBHSA-N 1 1 417.510 -0.847 20 0 HBADMO CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000556053616 1071861729 /nfs/dbraw/zinc/86/17/29/1071861729.db2.gz WDRNHIIPZKOENJ-SFHVURJKSA-N 1 1 417.510 -0.847 20 0 HBADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000556066047 1071862857 /nfs/dbraw/zinc/86/28/57/1071862857.db2.gz UBBWMDIUFZCSBT-INIZCTEOSA-N 1 1 404.515 -0.147 20 0 HBADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000556066048 1071862974 /nfs/dbraw/zinc/86/29/74/1071862974.db2.gz UBBWMDIUFZCSBT-MRXNPFEDSA-N 1 1 404.515 -0.147 20 0 HBADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000556067001 1071862689 /nfs/dbraw/zinc/86/26/89/1071862689.db2.gz VTLCQHHMXVJUSU-AWEZNQCLSA-N 1 1 411.470 -0.127 20 0 HBADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000556067002 1071862832 /nfs/dbraw/zinc/86/28/32/1071862832.db2.gz VTLCQHHMXVJUSU-CQSZACIVSA-N 1 1 411.470 -0.127 20 0 HBADMO C[C@@H](CO)N(C)C(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000556074344 1071864996 /nfs/dbraw/zinc/86/49/96/1071864996.db2.gz DJTGCWBNPOVALZ-HNNXBMFYSA-N 1 1 406.483 -0.197 20 0 HBADMO O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C(=O)N2CCC[C@H]2CO)c1 ZINC000556074786 1071864600 /nfs/dbraw/zinc/86/46/00/1071864600.db2.gz KUSCDKYIKRFTPD-SFHVURJKSA-N 1 1 418.494 -0.053 20 0 HBADMO CN(CCCO)C(=O)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000556075450 1071865565 /nfs/dbraw/zinc/86/55/65/1071865565.db2.gz FQYCQKLIGIOSPU-UHFFFAOYSA-N 1 1 406.483 -0.196 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc(Cn3cccn3)c2)CC1 ZINC000556075579 1071865426 /nfs/dbraw/zinc/86/54/26/1071865426.db2.gz CAXPBPZJHBJNBQ-UHFFFAOYSA-N 1 1 412.494 -0.172 20 0 HBADMO CN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556076576 1071865594 /nfs/dbraw/zinc/86/55/94/1071865594.db2.gz PWMJHZOOHUYEHQ-IBGZPJMESA-N 1 1 415.538 0.000 20 0 HBADMO CN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000556076579 1071865496 /nfs/dbraw/zinc/86/54/96/1071865496.db2.gz PWMJHZOOHUYEHQ-LJQANCHMSA-N 1 1 415.538 0.000 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCCN2CCc3ccccc32)CC1 ZINC000556076899 1071865661 /nfs/dbraw/zinc/86/56/61/1071865661.db2.gz SFGHRBQESFLUNY-UHFFFAOYSA-N 1 1 401.511 -0.164 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000556077259 1071866356 /nfs/dbraw/zinc/86/63/56/1071866356.db2.gz VPIOKHSQNMKTGO-UHFFFAOYSA-N 1 1 412.494 -0.172 20 0 HBADMO Cn1cc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(C(F)(F)F)n1 ZINC000556077418 1071866445 /nfs/dbraw/zinc/86/64/45/1071866445.db2.gz GVZRLFNTHZNVIX-UHFFFAOYSA-N 1 1 404.393 -0.665 20 0 HBADMO COCCOc1ccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000556077599 1071866282 /nfs/dbraw/zinc/86/62/82/1071866282.db2.gz XSIMPGIELYXXIP-UHFFFAOYSA-N 1 1 407.471 -0.997 20 0 HBADMO CCc1nsc(N2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000556077604 1071866146 /nfs/dbraw/zinc/86/61/46/1071866146.db2.gz XTBKMIMBOFIAHO-UHFFFAOYSA-N 1 1 423.543 -0.971 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556077762 1071866478 /nfs/dbraw/zinc/86/64/78/1071866478.db2.gz KFXRRRAVDWZCBR-CYBMUJFWSA-N 1 1 408.421 -0.163 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556077763 1071866372 /nfs/dbraw/zinc/86/63/72/1071866372.db2.gz KFXRRRAVDWZCBR-ZDUSSCGKSA-N 1 1 408.421 -0.163 20 0 HBADMO COc1ccccc1N1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556077825 1071866489 /nfs/dbraw/zinc/86/64/89/1071866489.db2.gz MCVXIFSQTWDUBY-INIZCTEOSA-N 1 1 417.510 -0.330 20 0 HBADMO COc1ccccc1N1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556077826 1071866459 /nfs/dbraw/zinc/86/64/59/1071866459.db2.gz MCVXIFSQTWDUBY-MRXNPFEDSA-N 1 1 417.510 -0.330 20 0 HBADMO COCCOc1cccc(CNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000556077927 1071866210 /nfs/dbraw/zinc/86/62/10/1071866210.db2.gz OGAVXHSIURGZMI-UHFFFAOYSA-N 1 1 406.483 -0.392 20 0 HBADMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556082365 1071870478 /nfs/dbraw/zinc/87/04/78/1071870478.db2.gz FQRSXLVOVWALPY-UHFFFAOYSA-N 1 1 400.487 -0.574 20 0 HBADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000556084290 1071871168 /nfs/dbraw/zinc/87/11/68/1071871168.db2.gz VPJHOMGMRBAIHG-HNNXBMFYSA-N 1 1 402.499 -0.323 20 0 HBADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)C1 ZINC000556084297 1071871178 /nfs/dbraw/zinc/87/11/78/1071871178.db2.gz VPJHOMGMRBAIHG-OAHLLOKOSA-N 1 1 402.499 -0.323 20 0 HBADMO CC[C@@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCOCC1 ZINC000556087296 1071868604 /nfs/dbraw/zinc/86/86/04/1071868604.db2.gz NWWHILXYTMZVFC-GOSISDBHSA-N 1 1 402.495 -0.086 20 0 HBADMO CC[C@@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCOCC1 ZINC000556087296 1071868600 /nfs/dbraw/zinc/86/86/00/1071868600.db2.gz NWWHILXYTMZVFC-GOSISDBHSA-N 1 1 402.495 -0.086 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1)C(=O)N1CCOCC1 ZINC000556087297 1071868487 /nfs/dbraw/zinc/86/84/87/1071868487.db2.gz NWWHILXYTMZVFC-SFHVURJKSA-N 1 1 402.495 -0.086 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1)C(=O)N1CCOCC1 ZINC000556087297 1071868472 /nfs/dbraw/zinc/86/84/72/1071868472.db2.gz NWWHILXYTMZVFC-SFHVURJKSA-N 1 1 402.495 -0.086 20 0 HBADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCNC(=O)c1cccnc1 ZINC000556087420 1071868567 /nfs/dbraw/zinc/86/85/67/1071868567.db2.gz QSWZWIYZRNLOKH-UHFFFAOYSA-N 1 1 405.499 -0.256 20 0 HBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556087557 1071868516 /nfs/dbraw/zinc/86/85/16/1071868516.db2.gz VBJHAFHVVSUVLJ-IBGZPJMESA-N 1 1 404.511 -0.688 20 0 HBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556087557 1071868511 /nfs/dbraw/zinc/86/85/11/1071868511.db2.gz VBJHAFHVVSUVLJ-IBGZPJMESA-N 1 1 404.511 -0.688 20 0 HBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000556087558 1071868593 /nfs/dbraw/zinc/86/85/93/1071868593.db2.gz VBJHAFHVVSUVLJ-LJQANCHMSA-N 1 1 404.511 -0.688 20 0 HBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000556087558 1071868585 /nfs/dbraw/zinc/86/85/85/1071868585.db2.gz VBJHAFHVVSUVLJ-LJQANCHMSA-N 1 1 404.511 -0.688 20 0 HBADMO Cn1ccnc(N2CCN(C(=O)C(=O)NCC[N@H+]3CCc4ccccc4C3)CC2)c1=O ZINC000556088735 1071868388 /nfs/dbraw/zinc/86/83/88/1071868388.db2.gz PCIPMNZNEJLCOJ-UHFFFAOYSA-N 1 1 424.505 -0.397 20 0 HBADMO Cn1ccnc(N2CCN(C(=O)C(=O)NCC[N@@H+]3CCc4ccccc4C3)CC2)c1=O ZINC000556088735 1071868382 /nfs/dbraw/zinc/86/83/82/1071868382.db2.gz PCIPMNZNEJLCOJ-UHFFFAOYSA-N 1 1 424.505 -0.397 20 0 HBADMO C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556093148 1071871661 /nfs/dbraw/zinc/87/16/61/1071871661.db2.gz BSTDUSNKELARJH-KRWDZBQOSA-N 1 1 416.526 -0.433 20 0 HBADMO C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556093150 1071871799 /nfs/dbraw/zinc/87/17/99/1071871799.db2.gz BSTDUSNKELARJH-QGZVFWFLSA-N 1 1 416.526 -0.433 20 0 HBADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000556095195 1071872276 /nfs/dbraw/zinc/87/22/76/1071872276.db2.gz GVICUOKBHDBNKG-INIZCTEOSA-N 1 1 404.515 -0.177 20 0 HBADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCc1ccc(N(C)C)nc1 ZINC000556095196 1071872354 /nfs/dbraw/zinc/87/23/54/1071872354.db2.gz GVICUOKBHDBNKG-MRXNPFEDSA-N 1 1 404.515 -0.177 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000556095906 1071871840 /nfs/dbraw/zinc/87/18/40/1071871840.db2.gz MHDWLPZKJFRVHX-UHFFFAOYSA-N 1 1 405.474 -0.245 20 0 HBADMO COc1ccccc1O[C@@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556096208 1071873171 /nfs/dbraw/zinc/87/31/71/1071873171.db2.gz PJCXFPGCHLOEND-HNNXBMFYSA-N 1 1 406.483 -0.141 20 0 HBADMO COc1ccccc1O[C@H](C)CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556096209 1071873043 /nfs/dbraw/zinc/87/30/43/1071873043.db2.gz PJCXFPGCHLOEND-OAHLLOKOSA-N 1 1 406.483 -0.141 20 0 HBADMO CCCCCNC(=O)C1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556096653 1071872521 /nfs/dbraw/zinc/87/25/21/1071872521.db2.gz YTTJYAJOGDJTTE-UHFFFAOYSA-N 1 1 423.558 -0.188 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000556096770 1071872212 /nfs/dbraw/zinc/87/22/12/1071872212.db2.gz XENLXCAZDZBYHE-UHFFFAOYSA-N 1 1 415.494 -0.749 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC1 ZINC000556096849 1071872427 /nfs/dbraw/zinc/87/24/27/1071872427.db2.gz ZSGGYTLCAPCYLI-UHFFFAOYSA-N 1 1 402.499 -0.994 20 0 HBADMO CN(C)C(=O)c1cccc(CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000556097671 1071873588 /nfs/dbraw/zinc/87/35/88/1071873588.db2.gz AODHMIKSWIAYIF-UHFFFAOYSA-N 1 1 417.510 -0.673 20 0 HBADMO COc1ccccc1N1CCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000556097747 1071873790 /nfs/dbraw/zinc/87/37/90/1071873790.db2.gz DIGOTOQHLOLZIP-UHFFFAOYSA-N 1 1 417.510 -0.376 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000556098995 1071873632 /nfs/dbraw/zinc/87/36/32/1071873632.db2.gz IODHVHVMQBCTJZ-NRFANRHFSA-N 1 1 400.479 -0.075 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000556098997 1071873912 /nfs/dbraw/zinc/87/39/12/1071873912.db2.gz IODHVHVMQBCTJZ-OAQYLSRUSA-N 1 1 400.479 -0.075 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2C)no1 ZINC000556099467 1071874822 /nfs/dbraw/zinc/87/48/22/1071874822.db2.gz QQYHPTGFGKWROA-LLVKDONJSA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)[C@H](C)C3)c2C)no1 ZINC000556099467 1071874816 /nfs/dbraw/zinc/87/48/16/1071874816.db2.gz QQYHPTGFGKWROA-LLVKDONJSA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c2C)no1 ZINC000556099469 1071874775 /nfs/dbraw/zinc/87/47/75/1071874775.db2.gz QQYHPTGFGKWROA-NSHDSACASA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)[C@@H](C)C3)c2C)no1 ZINC000556099469 1071874770 /nfs/dbraw/zinc/87/47/70/1071874770.db2.gz QQYHPTGFGKWROA-NSHDSACASA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1cc(N2CCC(NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000556099796 1071874450 /nfs/dbraw/zinc/87/44/50/1071874450.db2.gz ZHERELLESLYDHZ-UHFFFAOYSA-N 1 1 405.503 -0.917 20 0 HBADMO CCCC(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556099912 1071873668 /nfs/dbraw/zinc/87/36/68/1071873668.db2.gz CIELZRBTDFYOCY-INIZCTEOSA-N 1 1 409.531 -0.578 20 0 HBADMO CCCC(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556099918 1071873689 /nfs/dbraw/zinc/87/36/89/1071873689.db2.gz CIELZRBTDFYOCY-MRXNPFEDSA-N 1 1 409.531 -0.578 20 0 HBADMO CN(C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)C1CCN(c2cnccn2)CC1 ZINC000556099928 1071873870 /nfs/dbraw/zinc/87/38/70/1071873870.db2.gz CVPMVOXSRFBFQE-UHFFFAOYSA-N 1 1 417.514 -0.816 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cc(COC(C)(C)C)on2)CC1 ZINC000556100317 1071874837 /nfs/dbraw/zinc/87/48/37/1071874837.db2.gz DBXDCJZDIQKSJW-UHFFFAOYSA-N 1 1 409.487 -0.114 20 0 HBADMO CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556100409 1071874502 /nfs/dbraw/zinc/87/45/02/1071874502.db2.gz FDOOOGBQBNADMH-CVEARBPZSA-N 1 1 409.531 -0.534 20 0 HBADMO CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556100412 1071874752 /nfs/dbraw/zinc/87/47/52/1071874752.db2.gz FDOOOGBQBNADMH-HOTGVXAUSA-N 1 1 409.531 -0.534 20 0 HBADMO CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556100415 1071874701 /nfs/dbraw/zinc/87/47/01/1071874701.db2.gz FDOOOGBQBNADMH-HZPDHXFCSA-N 1 1 409.531 -0.534 20 0 HBADMO CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556100416 1071874859 /nfs/dbraw/zinc/87/48/59/1071874859.db2.gz FDOOOGBQBNADMH-JKSUJKDBSA-N 1 1 409.531 -0.534 20 0 HBADMO COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000556100594 1071874415 /nfs/dbraw/zinc/87/44/15/1071874415.db2.gz KWISYVSKEXRWTL-INIZCTEOSA-N 1 1 420.514 -0.697 20 0 HBADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)CCC2 ZINC000556100597 1071874473 /nfs/dbraw/zinc/87/44/73/1071874473.db2.gz KWISYVSKEXRWTL-MRXNPFEDSA-N 1 1 420.514 -0.697 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCCc2ccn(-c3ccccc3)n2)CC1 ZINC000556100928 1071875444 /nfs/dbraw/zinc/87/54/44/1071875444.db2.gz KTARUMNQUYJKHS-UHFFFAOYSA-N 1 1 412.494 -0.189 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N2CCN(CCc3cccs3)CC2)CC1 ZINC000556100986 1071875503 /nfs/dbraw/zinc/87/55/03/1071875503.db2.gz LILGPSAAOAFGCD-UHFFFAOYSA-N 1 1 421.567 -0.285 20 0 HBADMO COc1ccccc1CN(CCO)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101053 1071875482 /nfs/dbraw/zinc/87/54/82/1071875482.db2.gz QTZYNEHVJHKOAA-UHFFFAOYSA-N 1 1 406.483 -0.704 20 0 HBADMO COc1cc(CN(C)C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc(OC)c1 ZINC000556101137 1071875556 /nfs/dbraw/zinc/87/55/56/1071875556.db2.gz SIUJDJZFYGFMOJ-UHFFFAOYSA-N 1 1 406.483 -0.058 20 0 HBADMO CC(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556101170 1071876268 /nfs/dbraw/zinc/87/62/68/1071876268.db2.gz NOJBASGUZAGVAM-INIZCTEOSA-N 1 1 409.531 -0.723 20 0 HBADMO CC(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000556101171 1071876447 /nfs/dbraw/zinc/87/64/47/1071876447.db2.gz NOJBASGUZAGVAM-MRXNPFEDSA-N 1 1 409.531 -0.723 20 0 HBADMO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000556101250 1071876367 /nfs/dbraw/zinc/87/63/67/1071876367.db2.gz URGAHMPFUHSPPK-FGTMMUONSA-N 1 1 423.558 -0.633 20 0 HBADMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000556101251 1071876143 /nfs/dbraw/zinc/87/61/43/1071876143.db2.gz URGAHMPFUHSPPK-KSZLIROESA-N 1 1 423.558 -0.633 20 0 HBADMO C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000556101252 1071876223 /nfs/dbraw/zinc/87/62/23/1071876223.db2.gz URGAHMPFUHSPPK-KURKYZTESA-N 1 1 423.558 -0.633 20 0 HBADMO C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000556101253 1071876467 /nfs/dbraw/zinc/87/64/67/1071876467.db2.gz URGAHMPFUHSPPK-KZNAEPCWSA-N 1 1 423.558 -0.633 20 0 HBADMO COc1ccc(OCCCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000556101445 1071875596 /nfs/dbraw/zinc/87/55/96/1071875596.db2.gz XBRFXXZYGWGWHK-UHFFFAOYSA-N 1 1 406.483 -0.139 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000556101487 1071875492 /nfs/dbraw/zinc/87/54/92/1071875492.db2.gz SIWFGYMONRZTKP-HNNXBMFYSA-N 1 1 412.556 -0.172 20 0 HBADMO Cn1nc(CCNC(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)c2ccccc21 ZINC000556101490 1071875642 /nfs/dbraw/zinc/87/56/42/1071875642.db2.gz XNZQKOVHRLGBJU-UHFFFAOYSA-N 1 1 400.483 -0.488 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000556101491 1071875460 /nfs/dbraw/zinc/87/54/60/1071875460.db2.gz SIWFGYMONRZTKP-OAHLLOKOSA-N 1 1 412.556 -0.172 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2cccc3c2OCCCO3)CC1 ZINC000556101565 1071875419 /nfs/dbraw/zinc/87/54/19/1071875419.db2.gz UFZHQEBFTLPKRC-UHFFFAOYSA-N 1 1 404.467 -0.256 20 0 HBADMO COCCCN(Cc1ccncc1)C(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556101685 1071875378 /nfs/dbraw/zinc/87/53/78/1071875378.db2.gz ZNZKNECYDNXVDX-UHFFFAOYSA-N 1 1 405.499 -0.273 20 0 HBADMO C[C@@H](O)C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556101788 1071875399 /nfs/dbraw/zinc/87/53/99/1071875399.db2.gz XSOVZKMCPSZPFM-AEFFLSMTSA-N 1 1 404.511 -0.062 20 0 HBADMO C[C@H](O)C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556101789 1071875618 /nfs/dbraw/zinc/87/56/18/1071875618.db2.gz XSOVZKMCPSZPFM-FUHWJXTLSA-N 1 1 404.511 -0.062 20 0 HBADMO C[C@@H](O)C[C@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556101790 1071875529 /nfs/dbraw/zinc/87/55/29/1071875529.db2.gz XSOVZKMCPSZPFM-SJLPKXTDSA-N 1 1 404.511 -0.062 20 0 HBADMO C[C@H](O)C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000556101791 1071875409 /nfs/dbraw/zinc/87/54/09/1071875409.db2.gz XSOVZKMCPSZPFM-WMZOPIPTSA-N 1 1 404.511 -0.062 20 0 HBADMO Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000556101834 1071875629 /nfs/dbraw/zinc/87/56/29/1071875629.db2.gz ZHBUNKCPMYDTGX-UHFFFAOYSA-N 1 1 417.514 -0.978 20 0 HBADMO CC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000556102374 1071876281 /nfs/dbraw/zinc/87/62/81/1071876281.db2.gz BTXCUKHJIVFGQZ-AWEZNQCLSA-N 1 1 403.474 -0.545 20 0 HBADMO CC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCN1CC(F)F ZINC000556102375 1071876427 /nfs/dbraw/zinc/87/64/27/1071876427.db2.gz BTXCUKHJIVFGQZ-CQSZACIVSA-N 1 1 403.474 -0.545 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000556102862 1071876307 /nfs/dbraw/zinc/87/63/07/1071876307.db2.gz WUFWRLHXBPHYTD-KRWDZBQOSA-N 1 1 415.538 -0.170 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000556102862 1071876300 /nfs/dbraw/zinc/87/63/00/1071876300.db2.gz WUFWRLHXBPHYTD-KRWDZBQOSA-N 1 1 415.538 -0.170 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000556102867 1071876191 /nfs/dbraw/zinc/87/61/91/1071876191.db2.gz WUFWRLHXBPHYTD-QGZVFWFLSA-N 1 1 415.538 -0.170 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000556102867 1071876186 /nfs/dbraw/zinc/87/61/86/1071876186.db2.gz WUFWRLHXBPHYTD-QGZVFWFLSA-N 1 1 415.538 -0.170 20 0 HBADMO Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000556102895 1071876344 /nfs/dbraw/zinc/87/63/44/1071876344.db2.gz YARFAFHTKVXGJF-INIZCTEOSA-N 1 1 419.530 -0.906 20 0 HBADMO Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCC(=O)N3CC[NH+](C)CC3)C2)n(C)n1 ZINC000556102898 1071876357 /nfs/dbraw/zinc/87/63/57/1071876357.db2.gz YARFAFHTKVXGJF-MRXNPFEDSA-N 1 1 419.530 -0.906 20 0 HBADMO CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000556109990 1071878156 /nfs/dbraw/zinc/87/81/56/1071878156.db2.gz OEQLCCPMJAOUIO-UHFFFAOYSA-N 1 1 403.527 -0.095 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC000556111774 1071878888 /nfs/dbraw/zinc/87/88/88/1071878888.db2.gz PTIZRWIKRCSUJZ-UHFFFAOYSA-N 1 1 417.510 -0.570 20 0 HBADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000556112779 1071878910 /nfs/dbraw/zinc/87/89/10/1071878910.db2.gz FAWORVHEFGEAKC-UHFFFAOYSA-N 1 1 400.526 -0.624 20 0 HBADMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CCn2ncnc2C1 ZINC000556113813 1071879473 /nfs/dbraw/zinc/87/94/73/1071879473.db2.gz NHLLIROYFKZLEK-UHFFFAOYSA-N 1 1 411.510 -0.056 20 0 HBADMO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000556124428 1071880189 /nfs/dbraw/zinc/88/01/89/1071880189.db2.gz GUOAQMJODPOVJG-FQEVSTJZSA-N 1 1 418.538 -0.298 20 0 HBADMO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000556124430 1071880081 /nfs/dbraw/zinc/88/00/81/1071880081.db2.gz GUOAQMJODPOVJG-HXUWFJFHSA-N 1 1 418.538 -0.298 20 0 HBADMO CCN(C)C(=O)CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000556125156 1071879982 /nfs/dbraw/zinc/87/99/82/1071879982.db2.gz IZUJBJPKBMMONZ-UHFFFAOYSA-N 1 1 403.527 -0.095 20 0 HBADMO CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000556126104 1071880149 /nfs/dbraw/zinc/88/01/49/1071880149.db2.gz CLLJNOKBGFBMAB-IYBDPMFKSA-N 1 1 402.561 -0.036 20 0 HBADMO Cn1ncc(I)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000556128317 1071882072 /nfs/dbraw/zinc/88/20/72/1071882072.db2.gz HJYODRJHJAXEDP-UHFFFAOYSA-N 1 1 405.240 -0.081 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556148845 1071883958 /nfs/dbraw/zinc/88/39/58/1071883958.db2.gz CXQBXLJZEZKRMD-MOPGFXCFSA-N 1 1 403.527 -0.462 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000556148846 1071883733 /nfs/dbraw/zinc/88/37/33/1071883733.db2.gz CXQBXLJZEZKRMD-OALUTQOASA-N 1 1 403.527 -0.462 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556148848 1071884043 /nfs/dbraw/zinc/88/40/43/1071884043.db2.gz CXQBXLJZEZKRMD-RBUKOAKNSA-N 1 1 403.527 -0.462 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000556148849 1071884212 /nfs/dbraw/zinc/88/42/12/1071884212.db2.gz CXQBXLJZEZKRMD-RTBURBONSA-N 1 1 403.527 -0.462 20 0 HBADMO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000556150243 1071884811 /nfs/dbraw/zinc/88/48/11/1071884811.db2.gz VATWERROIYXQGZ-KRWDZBQOSA-N 1 1 406.483 -0.096 20 0 HBADMO COCCOc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000556150246 1071884776 /nfs/dbraw/zinc/88/47/76/1071884776.db2.gz VATWERROIYXQGZ-QGZVFWFLSA-N 1 1 406.483 -0.096 20 0 HBADMO COCCOc1ccc(CNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000556151700 1071884857 /nfs/dbraw/zinc/88/48/57/1071884857.db2.gz UPRQLTQHYQFPEP-UHFFFAOYSA-N 1 1 407.515 -0.135 20 0 HBADMO COCCOc1ncccc1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556154022 1071884149 /nfs/dbraw/zinc/88/41/49/1071884149.db2.gz WKAVKOYJHYZOKU-INIZCTEOSA-N 1 1 406.483 -0.096 20 0 HBADMO COCCOc1ncccc1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556154023 1071883811 /nfs/dbraw/zinc/88/38/11/1071883811.db2.gz WKAVKOYJHYZOKU-MRXNPFEDSA-N 1 1 406.483 -0.096 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@H]3C)c2C)no1 ZINC000556159213 1071886677 /nfs/dbraw/zinc/88/66/77/1071886677.db2.gz JTPBMAKYVGRPBY-LLVKDONJSA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@H]3C)c2C)no1 ZINC000556159213 1071886672 /nfs/dbraw/zinc/88/66/72/1071886672.db2.gz JTPBMAKYVGRPBY-LLVKDONJSA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@H+](CC(C)(C)O)C[C@@H]3C)c2C)no1 ZINC000556159215 1071886572 /nfs/dbraw/zinc/88/65/72/1071886572.db2.gz JTPBMAKYVGRPBY-NSHDSACASA-N 1 1 420.474 -0.432 20 0 HBADMO Cc1nc(Cn2nnc(NC(=O)C(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)c2C)no1 ZINC000556159215 1071886562 /nfs/dbraw/zinc/88/65/62/1071886562.db2.gz JTPBMAKYVGRPBY-NSHDSACASA-N 1 1 420.474 -0.432 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)N1CCOCC1 ZINC000556167674 1071887824 /nfs/dbraw/zinc/88/78/24/1071887824.db2.gz QFSIZJVRYCMGBE-KRWDZBQOSA-N 1 1 411.547 -0.726 20 0 HBADMO CC[C@@H](NC(=O)C(=O)NCCCCN1CC[NH+](CC)CC1)C(=O)N1CCOCC1 ZINC000556167675 1071888157 /nfs/dbraw/zinc/88/81/57/1071888157.db2.gz QFSIZJVRYCMGBE-QGZVFWFLSA-N 1 1 411.547 -0.726 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000556167860 1071887381 /nfs/dbraw/zinc/88/73/81/1071887381.db2.gz WOTKMKRQYOTRSK-GOSISDBHSA-N 1 1 423.558 -0.630 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000556167861 1071887167 /nfs/dbraw/zinc/88/71/67/1071887167.db2.gz WOTKMKRQYOTRSK-SFHVURJKSA-N 1 1 423.558 -0.630 20 0 HBADMO COc1cc(N2CCN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)CC2)ncn1 ZINC000556168291 1071888192 /nfs/dbraw/zinc/88/81/92/1071888192.db2.gz KWHMLZLKMCTXRQ-UHFFFAOYSA-N 1 1 419.530 -0.722 20 0 HBADMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556168495 1071887792 /nfs/dbraw/zinc/88/77/92/1071887792.db2.gz QMIFGWKCWCRRIF-INIZCTEOSA-N 1 1 421.542 -0.293 20 0 HBADMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556168496 1071887890 /nfs/dbraw/zinc/88/78/90/1071887890.db2.gz QMIFGWKCWCRRIF-MRXNPFEDSA-N 1 1 421.542 -0.293 20 0 HBADMO COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCCN3CCOCC3)CC2)c1 ZINC000556168783 1071888113 /nfs/dbraw/zinc/88/81/13/1071888113.db2.gz YRRBPILTEWIEMQ-UHFFFAOYSA-N 1 1 405.499 -0.033 20 0 HBADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556168817 1071887930 /nfs/dbraw/zinc/88/79/30/1071887930.db2.gz ZIOXTFRPICIART-GOSISDBHSA-N 1 1 424.590 -0.811 20 0 HBADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556168818 1071888146 /nfs/dbraw/zinc/88/81/46/1071888146.db2.gz ZIOXTFRPICIART-SFHVURJKSA-N 1 1 424.590 -0.811 20 0 HBADMO C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ccccn3)CC2)CC1 ZINC000556170682 1071889301 /nfs/dbraw/zinc/88/93/01/1071889301.db2.gz MQFUXXKJXSDXFI-UHFFFAOYSA-N 1 1 402.543 -0.130 20 0 HBADMO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000556172071 1071889579 /nfs/dbraw/zinc/88/95/79/1071889579.db2.gz XFINPIKZNQNZJE-INIZCTEOSA-N 1 1 417.576 -0.941 20 0 HBADMO CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000556172073 1071889218 /nfs/dbraw/zinc/88/92/18/1071889218.db2.gz XFINPIKZNQNZJE-MRXNPFEDSA-N 1 1 417.576 -0.941 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000556173805 1071890000 /nfs/dbraw/zinc/89/00/00/1071890000.db2.gz AUAUWBZHFPLFKG-MRXNPFEDSA-N 1 1 417.576 -0.940 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 ZINC000556174565 1071890215 /nfs/dbraw/zinc/89/02/15/1071890215.db2.gz NIOUDNVLJDOVQZ-UHFFFAOYSA-N 1 1 405.547 -0.412 20 0 HBADMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000556174684 1071890020 /nfs/dbraw/zinc/89/00/20/1071890020.db2.gz OGSSVVWYKXSKPN-UHFFFAOYSA-N 1 1 411.547 -0.774 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 ZINC000556174880 1071890193 /nfs/dbraw/zinc/89/01/93/1071890193.db2.gz QNXDPNUKDHFRHT-UHFFFAOYSA-N 1 1 421.521 -0.202 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000556174934 1071890056 /nfs/dbraw/zinc/89/00/56/1071890056.db2.gz SFUFHTBFGAPNPT-UHFFFAOYSA-N 1 1 424.590 -0.857 20 0 HBADMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000556175052 1071890178 /nfs/dbraw/zinc/89/01/78/1071890178.db2.gz IYAPANCTHNOZKX-INIZCTEOSA-N 1 1 421.542 -0.436 20 0 HBADMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000556175057 1071889960 /nfs/dbraw/zinc/88/99/60/1071889960.db2.gz IYAPANCTHNOZKX-MRXNPFEDSA-N 1 1 421.542 -0.436 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000556175087 1071890126 /nfs/dbraw/zinc/89/01/26/1071890126.db2.gz NIPVPSYPRURVTL-UHFFFAOYSA-N 1 1 417.558 -0.032 20 0 HBADMO COCCOc1ccc(CNC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000556175115 1071889970 /nfs/dbraw/zinc/88/99/70/1071889970.db2.gz JTYMZJCSAIWPRW-UHFFFAOYSA-N 1 1 420.510 -0.003 20 0 HBADMO CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000556176479 1071890826 /nfs/dbraw/zinc/89/08/26/1071890826.db2.gz YHKQAJFNFNKXPI-INIZCTEOSA-N 1 1 417.576 -0.940 20 0 HBADMO CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](CC)CC2)C1 ZINC000556176480 1071890862 /nfs/dbraw/zinc/89/08/62/1071890862.db2.gz YHKQAJFNFNKXPI-MRXNPFEDSA-N 1 1 417.576 -0.940 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000556176485 1071890667 /nfs/dbraw/zinc/89/06/67/1071890667.db2.gz YIJWJWBREGMTGZ-UHFFFAOYSA-N 1 1 403.531 -0.341 20 0 HBADMO C[C@H]1C[NH+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c2)C[C@H](C)O1 ZINC000556181533 1069559207 /nfs/dbraw/zinc/55/92/07/1069559207.db2.gz XYJUXUORQNZQHR-KBPBESRZSA-N 1 1 414.466 0.555 20 0 HBADMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c2)C[C@H](C)O1 ZINC000556181534 1069540312 /nfs/dbraw/zinc/54/03/12/1069540312.db2.gz XYJUXUORQNZQHR-OKILXGFUSA-N 1 1 414.466 0.555 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c2)C[C@H](C)O1 ZINC000556181534 1069540306 /nfs/dbraw/zinc/54/03/06/1069540306.db2.gz XYJUXUORQNZQHR-OKILXGFUSA-N 1 1 414.466 0.555 20 0 HBADMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)c2)C[C@@H](C)O1 ZINC000556181535 1069540195 /nfs/dbraw/zinc/54/01/95/1069540195.db2.gz XYJUXUORQNZQHR-ZIAGYGMSSA-N 1 1 414.466 0.555 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)CC1 ZINC000556181663 1071888600 /nfs/dbraw/zinc/88/86/00/1071888600.db2.gz GJRJEGKSMULJLZ-UHFFFAOYSA-N 1 1 410.515 -0.499 20 0 HBADMO C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(N)=O)n2)C[C@H](C)O1 ZINC000556181726 1069559269 /nfs/dbraw/zinc/55/92/69/1069559269.db2.gz JACNHGCICMLVLZ-KBPBESRZSA-N 1 1 414.466 0.555 20 0 HBADMO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(N)=O)n2)C[C@H](C)O1 ZINC000556181727 1069540234 /nfs/dbraw/zinc/54/02/34/1069540234.db2.gz JACNHGCICMLVLZ-OKILXGFUSA-N 1 1 414.466 0.555 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(N)=O)n2)C[C@H](C)O1 ZINC000556181727 1069540229 /nfs/dbraw/zinc/54/02/29/1069540229.db2.gz JACNHGCICMLVLZ-OKILXGFUSA-N 1 1 414.466 0.555 20 0 HBADMO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)Nc2ccn(CC(N)=O)n2)C[C@@H](C)O1 ZINC000556181728 1069540163 /nfs/dbraw/zinc/54/01/63/1069540163.db2.gz JACNHGCICMLVLZ-ZIAGYGMSSA-N 1 1 414.466 0.555 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2(C(=O)NCC)CCC2)CC1 ZINC000556185211 1071891563 /nfs/dbraw/zinc/89/15/63/1071891563.db2.gz BUVZNLVGFDCLBF-UHFFFAOYSA-N 1 1 409.531 -0.484 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2nc(C)cs2)CC1 ZINC000556185758 1071891599 /nfs/dbraw/zinc/89/15/99/1071891599.db2.gz MYSARKKVUUUTSE-AWEZNQCLSA-N 1 1 409.512 -0.322 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2nc(C)cs2)CC1 ZINC000556185762 1071891502 /nfs/dbraw/zinc/89/15/02/1071891502.db2.gz MYSARKKVUUUTSE-CQSZACIVSA-N 1 1 409.512 -0.322 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cccc(O)c3)CC2)CC1 ZINC000556186364 1071892133 /nfs/dbraw/zinc/89/21/33/1071892133.db2.gz CBELWKAJDPTCAJ-UHFFFAOYSA-N 1 1 403.483 -0.633 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000556186444 1071892173 /nfs/dbraw/zinc/89/21/73/1071892173.db2.gz DFEMBUYGQKFMQO-GOSISDBHSA-N 1 1 402.495 -0.179 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCO)[C@H]2CCc3ccccc32)CC1 ZINC000556186446 1071892013 /nfs/dbraw/zinc/89/20/13/1071892013.db2.gz DFEMBUYGQKFMQO-SFHVURJKSA-N 1 1 402.495 -0.179 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2nc3cc(C)ccc3n2C)CC1 ZINC000556186528 1071891963 /nfs/dbraw/zinc/89/19/63/1071891963.db2.gz XWPAJHSXNRSLTF-UHFFFAOYSA-N 1 1 400.483 -0.175 20 0 HBADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000556186725 1071891614 /nfs/dbraw/zinc/89/16/14/1071891614.db2.gz JMYWQNHSDQWLIV-UHFFFAOYSA-N 1 1 423.558 -0.584 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000556186732 1071891572 /nfs/dbraw/zinc/89/15/72/1071891572.db2.gz JSRVIXSEBCZTFC-JFIYKMOQSA-N 1 1 423.558 -0.587 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556186733 1071891464 /nfs/dbraw/zinc/89/14/64/1071891464.db2.gz JSRVIXSEBCZTFC-JZXOWHBKSA-N 1 1 423.558 -0.587 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000556186734 1071891317 /nfs/dbraw/zinc/89/13/17/1071891317.db2.gz JSRVIXSEBCZTFC-SOLBZPMBSA-N 1 1 423.558 -0.587 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000556186735 1071891987 /nfs/dbraw/zinc/89/19/87/1071891987.db2.gz JSRVIXSEBCZTFC-XYJFISCASA-N 1 1 423.558 -0.587 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000556186814 1071892189 /nfs/dbraw/zinc/89/21/89/1071892189.db2.gz LYYWZYSWCSUFSK-KRWDZBQOSA-N 1 1 415.494 -0.375 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000556186815 1071892072 /nfs/dbraw/zinc/89/20/72/1071892072.db2.gz LYYWZYSWCSUFSK-QGZVFWFLSA-N 1 1 415.494 -0.375 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2c(C)nn(C)c2C)CC1 ZINC000556187051 1071891376 /nfs/dbraw/zinc/89/13/76/1071891376.db2.gz RPIOOUNKQYCFPY-UHFFFAOYSA-N 1 1 406.531 -0.198 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)N2CCc3ccccc32)CC1 ZINC000556187442 1071892708 /nfs/dbraw/zinc/89/27/08/1071892708.db2.gz AIEIVEPHTANLDL-HNNXBMFYSA-N 1 1 401.511 -0.120 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)N2CCc3ccccc32)CC1 ZINC000556187443 1071892971 /nfs/dbraw/zinc/89/29/71/1071892971.db2.gz AIEIVEPHTANLDL-OAHLLOKOSA-N 1 1 401.511 -0.120 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 ZINC000556187464 1071892766 /nfs/dbraw/zinc/89/27/66/1071892766.db2.gz BNSNNHOCCROLMJ-UHFFFAOYSA-N 1 1 408.528 -0.573 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCc2ccc(-n3cccn3)cc2)CC1 ZINC000556187465 1071892934 /nfs/dbraw/zinc/89/29/34/1071892934.db2.gz BPEKITAYUVGMKZ-UHFFFAOYSA-N 1 1 412.494 -0.142 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(Cc3ccncc3)CC2)CC1 ZINC000556187494 1071892691 /nfs/dbraw/zinc/89/26/91/1071892691.db2.gz CTACIZOZYDEJIF-UHFFFAOYSA-N 1 1 402.499 -0.948 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)CC1 ZINC000556187543 1071892890 /nfs/dbraw/zinc/89/28/90/1071892890.db2.gz FVKHAQNRFPPLSA-UHFFFAOYSA-N 1 1 421.567 -0.239 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC000556187563 1071892729 /nfs/dbraw/zinc/89/27/29/1071892729.db2.gz GJLKVUUWRIQURG-UHFFFAOYSA-N 1 1 423.558 -0.190 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2cnc(N(C)C)nc2)CC1 ZINC000556187565 1071892945 /nfs/dbraw/zinc/89/29/45/1071892945.db2.gz GNDDAILVOHBBTK-UHFFFAOYSA-N 1 1 419.530 -0.392 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000556187773 1071892049 /nfs/dbraw/zinc/89/20/49/1071892049.db2.gz OYYJQNWAMCYALK-PBHICJAKSA-N 1 1 415.494 -0.377 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)CC1 ZINC000556187774 1071892080 /nfs/dbraw/zinc/89/20/80/1071892080.db2.gz OYYJQNWAMCYALK-RHSMWYFYSA-N 1 1 415.494 -0.377 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000556187775 1071892161 /nfs/dbraw/zinc/89/21/61/1071892161.db2.gz OYYJQNWAMCYALK-WMLDXEAASA-N 1 1 415.494 -0.377 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)CC1 ZINC000556187776 1071892094 /nfs/dbraw/zinc/89/20/94/1071892094.db2.gz OYYJQNWAMCYALK-YOEHRIQHSA-N 1 1 415.494 -0.377 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000556187777 1071892680 /nfs/dbraw/zinc/89/26/80/1071892680.db2.gz PBKGTRSCFGSLMI-INIZCTEOSA-N 1 1 401.511 -0.044 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000556187778 1071892961 /nfs/dbraw/zinc/89/29/61/1071892961.db2.gz PBKGTRSCFGSLMI-MRXNPFEDSA-N 1 1 401.511 -0.044 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000556187814 1071892870 /nfs/dbraw/zinc/89/28/70/1071892870.db2.gz QWXOMTHSUMVFIB-CYBMUJFWSA-N 1 1 408.421 -0.117 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000556187815 1071892782 /nfs/dbraw/zinc/89/27/82/1071892782.db2.gz QWXOMTHSUMVFIB-ZDUSSCGKSA-N 1 1 408.421 -0.117 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000556187918 1071892086 /nfs/dbraw/zinc/89/20/86/1071892086.db2.gz UMNNUGZXLKJBBZ-KRWDZBQOSA-N 1 1 421.542 -0.247 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000556187921 1071892147 /nfs/dbraw/zinc/89/21/47/1071892147.db2.gz UMNNUGZXLKJBBZ-QGZVFWFLSA-N 1 1 421.542 -0.247 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000556187939 1071892056 /nfs/dbraw/zinc/89/20/56/1071892056.db2.gz BHDHNCVJSPRKKP-AWEZNQCLSA-N 1 1 413.482 -0.229 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CC1 ZINC000556187941 1071892105 /nfs/dbraw/zinc/89/21/05/1071892105.db2.gz BHDHNCVJSPRKKP-CQSZACIVSA-N 1 1 413.482 -0.229 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000556188448 1071892953 /nfs/dbraw/zinc/89/29/53/1071892953.db2.gz VUPHTJFGVAFIPF-CVEARBPZSA-N 1 1 411.547 -0.681 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)CC1 ZINC000556188449 1071893384 /nfs/dbraw/zinc/89/33/84/1071893384.db2.gz VUPHTJFGVAFIPF-HOTGVXAUSA-N 1 1 411.547 -0.681 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000556188450 1071893398 /nfs/dbraw/zinc/89/33/98/1071893398.db2.gz VUPHTJFGVAFIPF-HZPDHXFCSA-N 1 1 411.547 -0.681 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)CC1 ZINC000556188451 1071893500 /nfs/dbraw/zinc/89/35/00/1071893500.db2.gz VUPHTJFGVAFIPF-JKSUJKDBSA-N 1 1 411.547 -0.681 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([S@@](C)=O)CCC2)CC1 ZINC000556188507 1071892913 /nfs/dbraw/zinc/89/29/13/1071892913.db2.gz XPECIQMENZOUQO-HHHXNRCGSA-N 1 1 400.545 -0.489 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([S@](C)=O)CCC2)CC1 ZINC000556188508 1071892667 /nfs/dbraw/zinc/89/26/67/1071892667.db2.gz XPECIQMENZOUQO-MHZLTWQESA-N 1 1 400.545 -0.489 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC000556189068 1071892844 /nfs/dbraw/zinc/89/28/44/1071892844.db2.gz AVEKHUVNLOMYKW-GOSISDBHSA-N 1 1 402.495 -0.217 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000556189071 1071892819 /nfs/dbraw/zinc/89/28/19/1071892819.db2.gz AVEKHUVNLOMYKW-SFHVURJKSA-N 1 1 402.495 -0.217 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000556189314 1071893357 /nfs/dbraw/zinc/89/33/57/1071893357.db2.gz AKXPJELWMKEAEY-CVEARBPZSA-N 1 1 407.515 -0.637 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000556189316 1071893459 /nfs/dbraw/zinc/89/34/59/1071893459.db2.gz AKXPJELWMKEAEY-HOTGVXAUSA-N 1 1 407.515 -0.637 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000556189317 1071893282 /nfs/dbraw/zinc/89/32/82/1071893282.db2.gz AKXPJELWMKEAEY-HZPDHXFCSA-N 1 1 407.515 -0.637 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000556189318 1071893478 /nfs/dbraw/zinc/89/34/78/1071893478.db2.gz AKXPJELWMKEAEY-JKSUJKDBSA-N 1 1 407.515 -0.637 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000556189546 1071893443 /nfs/dbraw/zinc/89/34/43/1071893443.db2.gz JCKYWHNDZYFWPE-CYBMUJFWSA-N 1 1 418.494 -0.039 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000556189547 1071893298 /nfs/dbraw/zinc/89/32/98/1071893298.db2.gz JCKYWHNDZYFWPE-ZDUSSCGKSA-N 1 1 418.494 -0.039 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000556190009 1071893464 /nfs/dbraw/zinc/89/34/64/1071893464.db2.gz KENOGFCCURLNHK-CKJXQJPGSA-N 1 1 424.542 -0.112 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000556190010 1071893490 /nfs/dbraw/zinc/89/34/90/1071893490.db2.gz KENOGFCCURLNHK-GCKMJXCFSA-N 1 1 424.542 -0.112 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000556190011 1071893411 /nfs/dbraw/zinc/89/34/11/1071893411.db2.gz KENOGFCCURLNHK-MRUHUIDDSA-N 1 1 424.542 -0.112 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC000556190012 1071893340 /nfs/dbraw/zinc/89/33/40/1071893340.db2.gz KENOGFCCURLNHK-QYWGDWMGSA-N 1 1 424.542 -0.112 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000556190409 1071894122 /nfs/dbraw/zinc/89/41/22/1071894122.db2.gz PMVZKEBLWUQMCI-KRWDZBQOSA-N 1 1 404.467 -0.381 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000556190411 1071894033 /nfs/dbraw/zinc/89/40/33/1071894033.db2.gz PMVZKEBLWUQMCI-QGZVFWFLSA-N 1 1 404.467 -0.381 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2cccnc2OCC(F)F)CC1 ZINC000556190828 1071893451 /nfs/dbraw/zinc/89/34/51/1071893451.db2.gz YLVKYZVIHREPLF-UHFFFAOYSA-N 1 1 413.425 -0.332 20 0 HBADMO C[C@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000556193618 1071895303 /nfs/dbraw/zinc/89/53/03/1071895303.db2.gz KGYYTOQOGFLZHO-INIZCTEOSA-N 1 1 401.515 -0.519 20 0 HBADMO C[C@@H](NC(=O)C(=O)NCCN1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000556193622 1071895104 /nfs/dbraw/zinc/89/51/04/1071895104.db2.gz KGYYTOQOGFLZHO-MRXNPFEDSA-N 1 1 401.515 -0.519 20 0 HBADMO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000556193837 1071895194 /nfs/dbraw/zinc/89/51/94/1071895194.db2.gz QMFIURKNWDAYHF-DLBZAZTESA-N 1 1 403.531 -0.344 20 0 HBADMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC[N@H+]1C ZINC000556193843 1071895141 /nfs/dbraw/zinc/89/51/41/1071895141.db2.gz QMFIURKNWDAYHF-IAGOWNOFSA-N 1 1 403.531 -0.344 20 0 HBADMO 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C[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[N@H+]1CCc2sccc2C1 ZINC000556321889 1071911818 /nfs/dbraw/zinc/91/18/18/1071911818.db2.gz WHARRPGDBFHPJT-WCQYABFASA-N 1 1 400.526 -0.500 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000556321889 1071911808 /nfs/dbraw/zinc/91/18/08/1071911808.db2.gz WHARRPGDBFHPJT-WCQYABFASA-N 1 1 400.526 -0.500 20 0 HBADMO C[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[N@H+]1CCc2sccc2C1 ZINC000556321891 1071911916 /nfs/dbraw/zinc/91/19/16/1071911916.db2.gz WHARRPGDBFHPJT-YPMHNXCESA-N 1 1 400.526 -0.500 20 0 HBADMO C[C@H](CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)[N@@H+]1CCc2sccc2C1 ZINC000556321891 1071911911 /nfs/dbraw/zinc/91/19/11/1071911911.db2.gz WHARRPGDBFHPJT-YPMHNXCESA-N 1 1 400.526 -0.500 20 0 HBADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000556332542 1071914867 /nfs/dbraw/zinc/91/48/67/1071914867.db2.gz UTOQSKFZWIFTNW-KRWDZBQOSA-N 1 1 404.515 -0.539 20 0 HBADMO Cc1nn(C)c(C)c1CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000556332543 1071914704 /nfs/dbraw/zinc/91/47/04/1071914704.db2.gz UTOQSKFZWIFTNW-QGZVFWFLSA-N 1 1 404.515 -0.539 20 0 HBADMO NC(=O)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCO1 ZINC000556332672 1071914689 /nfs/dbraw/zinc/91/46/89/1071914689.db2.gz VOZAEHKKUYWQEC-INIZCTEOSA-N 1 1 410.421 -0.242 20 0 HBADMO NC(=O)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCO1 ZINC000556332673 1071914849 /nfs/dbraw/zinc/91/48/49/1071914849.db2.gz VOZAEHKKUYWQEC-MRXNPFEDSA-N 1 1 410.421 -0.242 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000556347994 1071915951 /nfs/dbraw/zinc/91/59/51/1071915951.db2.gz HZCXFYQCOKIYKB-FGTMMUONSA-N 1 1 407.559 -0.107 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000556347996 1071915900 /nfs/dbraw/zinc/91/59/00/1071915900.db2.gz HZCXFYQCOKIYKB-KURKYZTESA-N 1 1 407.559 -0.107 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000556347998 1071915847 /nfs/dbraw/zinc/91/58/47/1071915847.db2.gz HZCXFYQCOKIYKB-KZNAEPCWSA-N 1 1 407.559 -0.107 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000556347999 1071915923 /nfs/dbraw/zinc/91/59/23/1071915923.db2.gz HZCXFYQCOKIYKB-SQNIBIBYSA-N 1 1 407.559 -0.107 20 0 HBADMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556354148 1071918920 /nfs/dbraw/zinc/91/89/20/1071918920.db2.gz HOQYEUAZJPRHGZ-INIZCTEOSA-N 1 1 411.547 -0.918 20 0 HBADMO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556354151 1071918893 /nfs/dbraw/zinc/91/88/93/1071918893.db2.gz HOQYEUAZJPRHGZ-MRXNPFEDSA-N 1 1 411.547 -0.918 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1)CN1CC[NH+](C)CC1 ZINC000556354306 1071918992 /nfs/dbraw/zinc/91/89/92/1071918992.db2.gz FZTCYURHPIQOFA-INIZCTEOSA-N 1 1 404.515 -0.154 20 0 HBADMO C[C@H](CNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1)CN1CC[NH+](C)CC1 ZINC000556354311 1071919162 /nfs/dbraw/zinc/91/91/62/1071919162.db2.gz FZTCYURHPIQOFA-MRXNPFEDSA-N 1 1 404.515 -0.154 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000556355259 1071919142 /nfs/dbraw/zinc/91/91/42/1071919142.db2.gz QFLKBUIDUHFESB-KRWDZBQOSA-N 1 1 419.526 -0.046 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000556355271 1071918972 /nfs/dbraw/zinc/91/89/72/1071918972.db2.gz QFLKBUIDUHFESB-QGZVFWFLSA-N 1 1 419.526 -0.046 20 0 HBADMO Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000556355394 1071916467 /nfs/dbraw/zinc/91/64/67/1071916467.db2.gz RFPRBFXCMXMQTQ-HNNXBMFYSA-N 1 1 405.547 -0.197 20 0 HBADMO Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000556355396 1071917128 /nfs/dbraw/zinc/91/71/28/1071917128.db2.gz RFPRBFXCMXMQTQ-OAHLLOKOSA-N 1 1 405.547 -0.197 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000556355565 1071916492 /nfs/dbraw/zinc/91/64/92/1071916492.db2.gz DDIHIEGCHIOZGB-GOSISDBHSA-N 1 1 419.574 -0.546 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(Cc3nccn3C)CC2)CC1 ZINC000556355569 1071916550 /nfs/dbraw/zinc/91/65/50/1071916550.db2.gz DDIHIEGCHIOZGB-SFHVURJKSA-N 1 1 419.574 -0.546 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357021 1071917238 /nfs/dbraw/zinc/91/72/38/1071917238.db2.gz YEXYKNKNOBKHLP-DOTOQJQBSA-N 1 1 419.530 -0.969 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357023 1071917063 /nfs/dbraw/zinc/91/70/63/1071917063.db2.gz YEXYKNKNOBKHLP-NVXWUHKLSA-N 1 1 419.530 -0.969 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357024 1071916975 /nfs/dbraw/zinc/91/69/75/1071916975.db2.gz YEXYKNKNOBKHLP-RDJZCZTQSA-N 1 1 419.530 -0.969 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000556357025 1071917222 /nfs/dbraw/zinc/91/72/22/1071917222.db2.gz YEXYKNKNOBKHLP-WBVHZDCISA-N 1 1 419.530 -0.969 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000556357038 1071917268 /nfs/dbraw/zinc/91/72/68/1071917268.db2.gz YPWJVUOACSSLRS-KRWDZBQOSA-N 1 1 405.547 -0.542 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3cnn(C)c3)CC2)CC1 ZINC000556357039 1071917111 /nfs/dbraw/zinc/91/71/11/1071917111.db2.gz YPWJVUOACSSLRS-QGZVFWFLSA-N 1 1 405.547 -0.542 20 0 HBADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361088 1071920211 /nfs/dbraw/zinc/92/02/11/1071920211.db2.gz DQQGHFCACIJJKK-DLBZAZTESA-N 1 1 421.523 -0.343 20 0 HBADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361091 1071920710 /nfs/dbraw/zinc/92/07/10/1071920710.db2.gz DQQGHFCACIJJKK-IAGOWNOFSA-N 1 1 421.523 -0.343 20 0 HBADMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361096 1071920777 /nfs/dbraw/zinc/92/07/77/1071920777.db2.gz DQQGHFCACIJJKK-IRXDYDNUSA-N 1 1 421.523 -0.343 20 0 HBADMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000556361101 1071920921 /nfs/dbraw/zinc/92/09/21/1071920921.db2.gz DQQGHFCACIJJKK-SJORKVTESA-N 1 1 421.523 -0.343 20 0 HBADMO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556361127 1071920833 /nfs/dbraw/zinc/92/08/33/1071920833.db2.gz DZLGECKVQWEHMR-MSOLQXFVSA-N 1 1 415.542 -0.152 20 0 HBADMO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556361131 1071920947 /nfs/dbraw/zinc/92/09/47/1071920947.db2.gz DZLGECKVQWEHMR-QZTJIDSGSA-N 1 1 415.542 -0.152 20 0 HBADMO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000556361133 1071920887 /nfs/dbraw/zinc/92/08/87/1071920887.db2.gz DZLGECKVQWEHMR-ROUUACIJSA-N 1 1 415.542 -0.152 20 0 HBADMO O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000556361136 1071920988 /nfs/dbraw/zinc/92/09/88/1071920988.db2.gz DZLGECKVQWEHMR-ZWKOTPCHSA-N 1 1 415.542 -0.152 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556361603 1071920732 /nfs/dbraw/zinc/92/07/32/1071920732.db2.gz ODTJFLBHKGJGLU-CVEARBPZSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556361603 1071920727 /nfs/dbraw/zinc/92/07/27/1071920727.db2.gz ODTJFLBHKGJGLU-CVEARBPZSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556361605 1071921503 /nfs/dbraw/zinc/92/15/03/1071921503.db2.gz ODTJFLBHKGJGLU-HOTGVXAUSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000556361605 1071921487 /nfs/dbraw/zinc/92/14/87/1071921487.db2.gz ODTJFLBHKGJGLU-HOTGVXAUSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556361609 1071920761 /nfs/dbraw/zinc/92/07/61/1071920761.db2.gz ODTJFLBHKGJGLU-HZPDHXFCSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556361609 1071920750 /nfs/dbraw/zinc/92/07/50/1071920750.db2.gz ODTJFLBHKGJGLU-HZPDHXFCSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556361612 1071921026 /nfs/dbraw/zinc/92/10/26/1071921026.db2.gz ODTJFLBHKGJGLU-JKSUJKDBSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000556361612 1071921016 /nfs/dbraw/zinc/92/10/16/1071921016.db2.gz ODTJFLBHKGJGLU-JKSUJKDBSA-N 1 1 404.515 -0.135 20 0 HBADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556362199 1071921089 /nfs/dbraw/zinc/92/10/89/1071921089.db2.gz RVNGQNTVQGDZBN-INIZCTEOSA-N 1 1 404.515 -0.133 20 0 HBADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556362202 1071920869 /nfs/dbraw/zinc/92/08/69/1071920869.db2.gz RVNGQNTVQGDZBN-MRXNPFEDSA-N 1 1 404.515 -0.133 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC[N@H+]1CC(C)(C)O ZINC000556363108 1071921642 /nfs/dbraw/zinc/92/16/42/1071921642.db2.gz UQUOUUPKUTVTSQ-CVEARBPZSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1CC(C)(C)O ZINC000556363108 1071921640 /nfs/dbraw/zinc/92/16/40/1071921640.db2.gz UQUOUUPKUTVTSQ-CVEARBPZSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC[N@H+]1CC(C)(C)O ZINC000556363110 1071921534 /nfs/dbraw/zinc/92/15/34/1071921534.db2.gz UQUOUUPKUTVTSQ-HOTGVXAUSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1CC(C)(C)O ZINC000556363110 1071921529 /nfs/dbraw/zinc/92/15/29/1071921529.db2.gz UQUOUUPKUTVTSQ-HOTGVXAUSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC[N@H+]1CC(C)(C)O ZINC000556363111 1071921613 /nfs/dbraw/zinc/92/16/13/1071921613.db2.gz UQUOUUPKUTVTSQ-HZPDHXFCSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1CC(C)(C)O ZINC000556363111 1071921610 /nfs/dbraw/zinc/92/16/10/1071921610.db2.gz UQUOUUPKUTVTSQ-HZPDHXFCSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC[N@H+]1CC(C)(C)O ZINC000556363112 1071921570 /nfs/dbraw/zinc/92/15/70/1071921570.db2.gz UQUOUUPKUTVTSQ-JKSUJKDBSA-N 1 1 404.515 -0.135 20 0 HBADMO C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1CC(C)(C)O ZINC000556363112 1071921566 /nfs/dbraw/zinc/92/15/66/1071921566.db2.gz UQUOUUPKUTVTSQ-JKSUJKDBSA-N 1 1 404.515 -0.135 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556364701 1071921550 /nfs/dbraw/zinc/92/15/50/1071921550.db2.gz FHPNVRQKYPYEQY-INIZCTEOSA-N 1 1 417.514 -0.816 20 0 HBADMO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000556364704 1071921578 /nfs/dbraw/zinc/92/15/78/1071921578.db2.gz FHPNVRQKYPYEQY-MRXNPFEDSA-N 1 1 417.514 -0.816 20 0 HBADMO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000556366317 1071919796 /nfs/dbraw/zinc/91/97/96/1071919796.db2.gz FVFFYBWGPCUODM-CVEARBPZSA-N 1 1 400.483 -0.428 20 0 HBADMO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)nc1 ZINC000556366318 1071919620 /nfs/dbraw/zinc/91/96/20/1071919620.db2.gz FVFFYBWGPCUODM-HOTGVXAUSA-N 1 1 400.483 -0.428 20 0 HBADMO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)nc1 ZINC000556366319 1071919722 /nfs/dbraw/zinc/91/97/22/1071919722.db2.gz FVFFYBWGPCUODM-HZPDHXFCSA-N 1 1 400.483 -0.428 20 0 HBADMO NC(=O)c1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)nc1 ZINC000556366320 1071919634 /nfs/dbraw/zinc/91/96/34/1071919634.db2.gz FVFFYBWGPCUODM-JKSUJKDBSA-N 1 1 400.483 -0.428 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556367363 1071923371 /nfs/dbraw/zinc/92/33/71/1071923371.db2.gz ADMYZZCVPYADMJ-CVEARBPZSA-N 1 1 406.506 -0.085 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556367367 1071923306 /nfs/dbraw/zinc/92/33/06/1071923306.db2.gz ADMYZZCVPYADMJ-HOTGVXAUSA-N 1 1 406.506 -0.085 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556367368 1071923529 /nfs/dbraw/zinc/92/35/29/1071923529.db2.gz ADMYZZCVPYADMJ-HZPDHXFCSA-N 1 1 406.506 -0.085 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1)CN1CC[NH+](C)CC1 ZINC000556367371 1071923465 /nfs/dbraw/zinc/92/34/65/1071923465.db2.gz ADMYZZCVPYADMJ-JKSUJKDBSA-N 1 1 406.506 -0.085 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)CN1CC[NH+](C)CC1 ZINC000556367888 1071923395 /nfs/dbraw/zinc/92/33/95/1071923395.db2.gz HAVWURLXZMPGFZ-CVEARBPZSA-N 1 1 419.530 -0.969 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O)CN1CC[NH+](C)CC1 ZINC000556367890 1071923323 /nfs/dbraw/zinc/92/33/23/1071923323.db2.gz HAVWURLXZMPGFZ-HOTGVXAUSA-N 1 1 419.530 -0.969 20 0 HBADMO C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)CN1CC[NH+](C)CC1 ZINC000556367892 1071923577 /nfs/dbraw/zinc/92/35/77/1071923577.db2.gz HAVWURLXZMPGFZ-HZPDHXFCSA-N 1 1 419.530 -0.969 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O)CN1CC[NH+](C)CC1 ZINC000556367894 1071923334 /nfs/dbraw/zinc/92/33/34/1071923334.db2.gz HAVWURLXZMPGFZ-JKSUJKDBSA-N 1 1 419.530 -0.969 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000556368239 1071919736 /nfs/dbraw/zinc/91/97/36/1071919736.db2.gz ATAYEYDCJLNGTA-KRWDZBQOSA-N 1 1 417.558 -0.177 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000556368241 1071920221 /nfs/dbraw/zinc/92/02/21/1071920221.db2.gz ATAYEYDCJLNGTA-QGZVFWFLSA-N 1 1 417.558 -0.177 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000556368562 1071922184 /nfs/dbraw/zinc/92/21/84/1071922184.db2.gz DPNQDBWNXZZFNB-KRWDZBQOSA-N 1 1 403.531 -0.485 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3cccnn3)CC2)CC1 ZINC000556368563 1071922111 /nfs/dbraw/zinc/92/21/11/1071922111.db2.gz DPNQDBWNXZZFNB-QGZVFWFLSA-N 1 1 403.531 -0.485 20 0 HBADMO C[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000556369415 1071922676 /nfs/dbraw/zinc/92/26/76/1071922676.db2.gz IRPNYRZOLPDWCK-GOSISDBHSA-N 1 1 415.538 -0.029 20 0 HBADMO C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1)CN1CC[NH+](C)CC1 ZINC000556369416 1071922595 /nfs/dbraw/zinc/92/25/95/1071922595.db2.gz IRPNYRZOLPDWCK-SFHVURJKSA-N 1 1 415.538 -0.029 20 0 HBADMO C[C@H](CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000556369575 1071922235 /nfs/dbraw/zinc/92/22/35/1071922235.db2.gz TYQXGEDZQDMUGA-CABCVRRESA-N 1 1 407.481 -0.014 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000556369577 1071922043 /nfs/dbraw/zinc/92/20/43/1071922043.db2.gz TYQXGEDZQDMUGA-GJZGRUSLSA-N 1 1 407.481 -0.014 20 0 HBADMO C[C@H](CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000556369578 1071922212 /nfs/dbraw/zinc/92/22/12/1071922212.db2.gz TYQXGEDZQDMUGA-HUUCEWRRSA-N 1 1 407.481 -0.014 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1)CN1CC[NH+](C)CC1 ZINC000556369579 1071922158 /nfs/dbraw/zinc/92/21/58/1071922158.db2.gz TYQXGEDZQDMUGA-LSDHHAIUSA-N 1 1 407.481 -0.014 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000556369615 1071922219 /nfs/dbraw/zinc/92/22/19/1071922219.db2.gz JJPXJUBCFZWLEW-GOSISDBHSA-N 1 1 411.591 -0.055 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CCN2CCOC(C)(C)C2)CC1 ZINC000556369616 1071922199 /nfs/dbraw/zinc/92/21/99/1071922199.db2.gz JJPXJUBCFZWLEW-SFHVURJKSA-N 1 1 411.591 -0.055 20 0 HBADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556370622 1071922717 /nfs/dbraw/zinc/92/27/17/1071922717.db2.gz NUMFMHSWABFQAB-MSOLQXFVSA-N 1 1 424.590 -0.955 20 0 HBADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556370624 1071922834 /nfs/dbraw/zinc/92/28/34/1071922834.db2.gz NUMFMHSWABFQAB-QZTJIDSGSA-N 1 1 424.590 -0.955 20 0 HBADMO CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556370627 1068356906 /nfs/dbraw/zinc/35/69/06/1068356906.db2.gz NUMFMHSWABFQAB-ROUUACIJSA-N 1 1 424.590 -0.955 20 0 HBADMO CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000556370628 1071922698 /nfs/dbraw/zinc/92/26/98/1071922698.db2.gz NUMFMHSWABFQAB-ZWKOTPCHSA-N 1 1 424.590 -0.955 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000556370926 1071922795 /nfs/dbraw/zinc/92/27/95/1071922795.db2.gz RKLUKACKRZWDIM-MSOLQXFVSA-N 1 1 423.558 -0.774 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000556370928 1071922760 /nfs/dbraw/zinc/92/27/60/1071922760.db2.gz RKLUKACKRZWDIM-QZTJIDSGSA-N 1 1 423.558 -0.774 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000556370932 1071922869 /nfs/dbraw/zinc/92/28/69/1071922869.db2.gz RKLUKACKRZWDIM-ROUUACIJSA-N 1 1 423.558 -0.774 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000556370937 1071922630 /nfs/dbraw/zinc/92/26/30/1071922630.db2.gz RKLUKACKRZWDIM-ZWKOTPCHSA-N 1 1 423.558 -0.774 20 0 HBADMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 ZINC000556372486 1071923353 /nfs/dbraw/zinc/92/33/53/1071923353.db2.gz WRQNTLLSNKLVDD-KRWDZBQOSA-N 1 1 411.547 -0.917 20 0 HBADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCN(CCOC)C(=O)C2)CC1 ZINC000556372487 1071923618 /nfs/dbraw/zinc/92/36/18/1071923618.db2.gz WRQNTLLSNKLVDD-QGZVFWFLSA-N 1 1 411.547 -0.917 20 0 HBADMO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372720 1071923315 /nfs/dbraw/zinc/92/33/15/1071923315.db2.gz XLUKDRGPEAMWBY-INIZCTEOSA-N 1 1 419.526 -0.113 20 0 HBADMO COCC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000556372722 1071923498 /nfs/dbraw/zinc/92/34/98/1071923498.db2.gz XLUKDRGPEAMWBY-MRXNPFEDSA-N 1 1 419.526 -0.113 20 0 HBADMO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)ccn2)CC1 ZINC000556491303 1071942704 /nfs/dbraw/zinc/94/27/04/1071942704.db2.gz YNDMHPPPBHVGEV-NRFANRHFSA-N 1 1 414.510 -0.038 20 0 HBADMO CN1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC[C@@]4(CC[N@@H+](C)C4)C3)ccn2)CC1 ZINC000556491304 1071942737 /nfs/dbraw/zinc/94/27/37/1071942737.db2.gz YNDMHPPPBHVGEV-OAQYLSRUSA-N 1 1 414.510 -0.038 20 0 HBADMO C[N@H+]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1Cc1ccccc1 ZINC000556508035 1071945110 /nfs/dbraw/zinc/94/51/10/1071945110.db2.gz QHQFAMBZIHZYBC-DLBZAZTESA-N 1 1 408.524 -0.142 20 0 HBADMO C[N@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@H]1Cc1ccccc1 ZINC000556508039 1071945004 /nfs/dbraw/zinc/94/50/04/1071945004.db2.gz QHQFAMBZIHZYBC-IAGOWNOFSA-N 1 1 408.524 -0.142 20 0 HBADMO C[N@H+]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1Cc1ccccc1 ZINC000556508041 1071945073 /nfs/dbraw/zinc/94/50/73/1071945073.db2.gz QHQFAMBZIHZYBC-IRXDYDNUSA-N 1 1 408.524 -0.142 20 0 HBADMO C[N@H+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)C[C@@H]1Cc1ccccc1 ZINC000556508046 1071945049 /nfs/dbraw/zinc/94/50/49/1071945049.db2.gz QHQFAMBZIHZYBC-SJORKVTESA-N 1 1 408.524 -0.142 20 0 HBADMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](C)CO)cc1S(=O)(=O)N1CCOCC1 ZINC000556514084 1071947162 /nfs/dbraw/zinc/94/71/62/1071947162.db2.gz XSXYSYFDAZCIKR-CYBMUJFWSA-N 1 1 401.485 -0.033 20 0 HBADMO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)CO)cc1S(=O)(=O)N1CCOCC1 ZINC000556514084 1071947156 /nfs/dbraw/zinc/94/71/56/1071947156.db2.gz XSXYSYFDAZCIKR-CYBMUJFWSA-N 1 1 401.485 -0.033 20 0 HBADMO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000556514253 1071946658 /nfs/dbraw/zinc/94/66/58/1071946658.db2.gz AGGFWNQYOMJQLS-UHFFFAOYSA-N 1 1 401.467 -0.263 20 0 HBADMO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000556527407 1071950471 /nfs/dbraw/zinc/95/04/71/1071950471.db2.gz ORAHYDYDXALLPH-UHFFFAOYSA-N 1 1 419.482 -0.903 20 0 HBADMO COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)nn1 ZINC000556536093 1071952135 /nfs/dbraw/zinc/95/21/35/1071952135.db2.gz LJZGRXTWEPHEGO-UHFFFAOYSA-N 1 1 417.426 -0.680 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)cc1C ZINC000556555907 1069559800 /nfs/dbraw/zinc/55/98/00/1069559800.db2.gz ZQERNLNROXVODL-KRWDZBQOSA-N 1 1 412.494 0.261 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)cc1C ZINC000556555907 1069559793 /nfs/dbraw/zinc/55/97/93/1069559793.db2.gz ZQERNLNROXVODL-KRWDZBQOSA-N 1 1 412.494 0.261 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)cc1C ZINC000556555908 1069559961 /nfs/dbraw/zinc/55/99/61/1069559961.db2.gz ZQERNLNROXVODL-QGZVFWFLSA-N 1 1 412.494 0.261 20 0 HBADMO CNC(=O)Cn1nc(NC(=O)C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)cc1C ZINC000556555908 1069559949 /nfs/dbraw/zinc/55/99/49/1069559949.db2.gz ZQERNLNROXVODL-QGZVFWFLSA-N 1 1 412.494 0.261 20 0 HBADMO Cn1ccc2ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+]3CCOCC3)cc2c1=O ZINC000556561320 1071959248 /nfs/dbraw/zinc/95/92/48/1071959248.db2.gz SCMQUDHSQYOLDL-FQEVSTJZSA-N 1 1 402.451 -0.324 20 0 HBADMO Cn1ccc2ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)cc2c1=O ZINC000556561321 1071959068 /nfs/dbraw/zinc/95/90/68/1071959068.db2.gz SCMQUDHSQYOLDL-HXUWFJFHSA-N 1 1 402.451 -0.324 20 0 HBADMO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000556563137 1071959876 /nfs/dbraw/zinc/95/98/76/1071959876.db2.gz BMNDPTSBVJASDE-UHFFFAOYSA-N 1 1 401.467 -0.121 20 0 HBADMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556563260 1071959784 /nfs/dbraw/zinc/95/97/84/1071959784.db2.gz FBGYADYKDKGSSP-INIZCTEOSA-N 1 1 403.483 -0.019 20 0 HBADMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556563260 1071959782 /nfs/dbraw/zinc/95/97/82/1071959782.db2.gz FBGYADYKDKGSSP-INIZCTEOSA-N 1 1 403.483 -0.019 20 0 HBADMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556563261 1071959948 /nfs/dbraw/zinc/95/99/48/1071959948.db2.gz FBGYADYKDKGSSP-MRXNPFEDSA-N 1 1 403.483 -0.019 20 0 HBADMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000556563261 1071959941 /nfs/dbraw/zinc/95/99/41/1071959941.db2.gz FBGYADYKDKGSSP-MRXNPFEDSA-N 1 1 403.483 -0.019 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)nn1 ZINC000556563463 1069640210 /nfs/dbraw/zinc/64/02/10/1069640210.db2.gz BGFPJUDNRLQZAS-HNNXBMFYSA-N 1 1 406.487 -0.323 20 0 HBADMO COc1ccc(NC(=O)C(=O)N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)nn1 ZINC000556563464 1071959889 /nfs/dbraw/zinc/95/98/89/1071959889.db2.gz BGFPJUDNRLQZAS-OAHLLOKOSA-N 1 1 406.487 -0.323 20 0 HBADMO O=C(NC[C@@H]1COCCO1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000556579868 1071962600 /nfs/dbraw/zinc/96/26/00/1071962600.db2.gz CNNHKXXCOCKKLQ-GOSISDBHSA-N 1 1 406.483 -0.336 20 0 HBADMO O=C(NC[C@H]1COCCO1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000556579875 1071963214 /nfs/dbraw/zinc/96/32/14/1071963214.db2.gz CNNHKXXCOCKKLQ-SFHVURJKSA-N 1 1 406.483 -0.336 20 0 HBADMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C(=O)NC[C@H]2COCCO2)cc[nH+]1 ZINC000556581344 1071963191 /nfs/dbraw/zinc/96/31/91/1071963191.db2.gz QMLOAIMJONQROH-KKUMJFAQSA-N 1 1 424.477 -0.551 20 0 HBADMO CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)C(=O)NC[C@@H]2COCCO2)cc[nH+]1 ZINC000556581346 1071963205 /nfs/dbraw/zinc/96/32/05/1071963205.db2.gz QMLOAIMJONQROH-SOUVJXGZSA-N 1 1 424.477 -0.551 20 0 HBADMO C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)cc2)CC1 ZINC000556593775 1071965241 /nfs/dbraw/zinc/96/52/41/1071965241.db2.gz NEIRTYMWNLKDLT-MSOLQXFVSA-N 1 1 418.494 -0.402 20 0 HBADMO COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556596529 1071964703 /nfs/dbraw/zinc/96/47/03/1071964703.db2.gz VGKCUFPWIBHEIQ-GOSISDBHSA-N 1 1 423.558 -0.632 20 0 HBADMO COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000556596530 1071964679 /nfs/dbraw/zinc/96/46/79/1071964679.db2.gz VGKCUFPWIBHEIQ-SFHVURJKSA-N 1 1 423.558 -0.632 20 0 HBADMO CN(C)c1[nH+]cc(CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)n1C ZINC000556626572 1071968418 /nfs/dbraw/zinc/96/84/18/1071968418.db2.gz HDUWNDTVEBHYJB-UHFFFAOYSA-N 1 1 404.475 -0.997 20 0 HBADMO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000556628753 1071971449 /nfs/dbraw/zinc/97/14/49/1071971449.db2.gz DCEYFTPHBMVHCX-INIZCTEOSA-N 1 1 420.514 -0.932 20 0 HBADMO O=C(NCCCn1nc2n(c1=O)CCCC2)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000556628754 1071971493 /nfs/dbraw/zinc/97/14/93/1071971493.db2.gz DCEYFTPHBMVHCX-MRXNPFEDSA-N 1 1 420.514 -0.932 20 0 HBADMO C[N@H+]1CCN(CCNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1(C)C ZINC000556628957 1071970225 /nfs/dbraw/zinc/97/02/25/1071970225.db2.gz LNMGQCLVKMDLDB-UHFFFAOYSA-N 1 1 421.546 -0.970 20 0 HBADMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556629095 1071969597 /nfs/dbraw/zinc/96/95/97/1071969597.db2.gz BCCCQPVQTUQFIS-UHFFFAOYSA-N 1 1 403.487 -0.011 20 0 HBADMO CCN(CCCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000556649348 1071974402 /nfs/dbraw/zinc/97/44/02/1071974402.db2.gz MLIGNNXJNLWSED-HNNXBMFYSA-N 1 1 406.549 -0.609 20 0 HBADMO CCN(CCCNC(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000556649349 1071974541 /nfs/dbraw/zinc/97/45/41/1071974541.db2.gz MLIGNNXJNLWSED-OAHLLOKOSA-N 1 1 406.549 -0.609 20 0 HBADMO CCN(CCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)S(C)(=O)=O ZINC000556650517 1071978528 /nfs/dbraw/zinc/97/85/28/1071978528.db2.gz SFNGCLUTWJDEKR-UHFFFAOYSA-N 1 1 406.549 -0.921 20 0 HBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000556745994 1071991087 /nfs/dbraw/zinc/99/10/87/1071991087.db2.gz IMHMPXPCMAHACY-UHFFFAOYSA-N 1 1 412.512 -0.161 20 0 HBADMO Cn1cnc(S(=O)(=O)NCC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000556754989 1071992135 /nfs/dbraw/zinc/99/21/35/1071992135.db2.gz FMICYTPPCQUJLW-UHFFFAOYSA-N 1 1 406.512 -0.363 20 0 HBADMO COc1ccc(S(=O)(=O)NCC(=O)NCCC[NH+]2CCN(C)CC2)cc1OC ZINC000556762025 1071994580 /nfs/dbraw/zinc/99/45/80/1071994580.db2.gz VKDCTZPMIXIZOJ-UHFFFAOYSA-N 1 1 414.528 -0.264 20 0 HBADMO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556774420 1071995332 /nfs/dbraw/zinc/99/53/32/1071995332.db2.gz CSTXWDSELDWWLM-GFCCVEGCSA-N 1 1 406.468 -0.476 20 0 HBADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000556774427 1071995415 /nfs/dbraw/zinc/99/54/15/1071995415.db2.gz CSTXWDSELDWWLM-LBPRGKRZSA-N 1 1 406.468 -0.476 20 0 HBADMO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000556775627 1071995185 /nfs/dbraw/zinc/99/51/85/1071995185.db2.gz NMYYRMWYPLFOBV-UHFFFAOYSA-N 1 1 420.495 -0.261 20 0 HBADMO C[C@](O)(CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C[NH+]1CCOCC1 ZINC000556892840 1072014039 /nfs/dbraw/zinc/01/40/39/1072014039.db2.gz XVWNZEOIGSXCQA-KRWDZBQOSA-N 1 1 411.484 -0.959 20 0 HBADMO C[C@@](O)(CNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C[NH+]1CCOCC1 ZINC000556892844 1072014191 /nfs/dbraw/zinc/01/41/91/1072014191.db2.gz XVWNZEOIGSXCQA-QGZVFWFLSA-N 1 1 411.484 -0.959 20 0 HBADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000556899757 1072014500 /nfs/dbraw/zinc/01/45/00/1072014500.db2.gz WJXMEBBLUYBDQH-CYBMUJFWSA-N 1 1 423.495 -0.063 20 0 HBADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000556899758 1072014539 /nfs/dbraw/zinc/01/45/39/1072014539.db2.gz WJXMEBBLUYBDQH-ZDUSSCGKSA-N 1 1 423.495 -0.063 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000556927009 1072016747 /nfs/dbraw/zinc/01/67/47/1072016747.db2.gz KOOKLVBWSSYSLW-HNNXBMFYSA-N 1 1 423.514 -0.464 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1=O ZINC000556927015 1072016814 /nfs/dbraw/zinc/01/68/14/1072016814.db2.gz KOOKLVBWSSYSLW-OAHLLOKOSA-N 1 1 423.514 -0.464 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1=O ZINC000556928691 1072016923 /nfs/dbraw/zinc/01/69/23/1072016923.db2.gz HMIXNEGPZHNXOL-INIZCTEOSA-N 1 1 416.482 -0.520 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)CC1=O ZINC000556928692 1072016850 /nfs/dbraw/zinc/01/68/50/1072016850.db2.gz HMIXNEGPZHNXOL-MRXNPFEDSA-N 1 1 416.482 -0.520 20 0 HBADMO CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)co1 ZINC000556928943 1072017336 /nfs/dbraw/zinc/01/73/36/1072017336.db2.gz NXNUOCXUTNXVCJ-CYBMUJFWSA-N 1 1 402.473 -0.903 20 0 HBADMO CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[N@@H+](C)CCOC)C2)co1 ZINC000556928944 1072017272 /nfs/dbraw/zinc/01/72/72/1072017272.db2.gz NXNUOCXUTNXVCJ-ZDUSSCGKSA-N 1 1 402.473 -0.903 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(CS(C)(=O)=O)o2)CC1=O ZINC000556933281 1072017486 /nfs/dbraw/zinc/01/74/86/1072017486.db2.gz ILWWTHPLXOJYCZ-CYBMUJFWSA-N 1 1 401.485 -0.267 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(CS(C)(=O)=O)o2)CC1=O ZINC000556933282 1072017448 /nfs/dbraw/zinc/01/74/48/1072017448.db2.gz ILWWTHPLXOJYCZ-ZDUSSCGKSA-N 1 1 401.485 -0.267 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1=O ZINC000556934386 1072017394 /nfs/dbraw/zinc/01/73/94/1072017394.db2.gz UMUIMLPLZSTUJM-CYBMUJFWSA-N 1 1 405.455 -0.256 20 0 HBADMO COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2c(C)oc3ncn(C)c(=O)c32)CC1=O ZINC000556934387 1072017149 /nfs/dbraw/zinc/01/71/49/1072017149.db2.gz UMUIMLPLZSTUJM-ZDUSSCGKSA-N 1 1 405.455 -0.256 20 0 HBADMO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000556987328 1072022196 /nfs/dbraw/zinc/02/21/96/1072022196.db2.gz ZAEKEXYBQMDWBM-HRBLRVMOSA-N 1 1 405.543 -0.117 20 0 HBADMO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000556987332 1072022089 /nfs/dbraw/zinc/02/20/89/1072022089.db2.gz ZAEKEXYBQMDWBM-XNHLSEOASA-N 1 1 405.543 -0.117 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556992219 1072023103 /nfs/dbraw/zinc/02/31/03/1072023103.db2.gz LHRBNMDVMHNBBM-AWEZNQCLSA-N 1 1 408.528 -0.017 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000556992220 1072023257 /nfs/dbraw/zinc/02/32/57/1072023257.db2.gz LHRBNMDVMHNBBM-CQSZACIVSA-N 1 1 408.528 -0.017 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000556996409 1072023670 /nfs/dbraw/zinc/02/36/70/1072023670.db2.gz KYUZAOJFDFIXDY-GFCCVEGCSA-N 1 1 400.526 -0.196 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000556996411 1072023744 /nfs/dbraw/zinc/02/37/44/1072023744.db2.gz KYUZAOJFDFIXDY-LBPRGKRZSA-N 1 1 400.526 -0.196 20 0 HBADMO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000557000288 1072024286 /nfs/dbraw/zinc/02/42/86/1072024286.db2.gz XADVPMITXKAVHE-GPANFISMSA-N 1 1 407.515 -0.828 20 0 HBADMO CNC(=O)C1CCC(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000557000289 1072024085 /nfs/dbraw/zinc/02/40/85/1072024085.db2.gz XADVPMITXKAVHE-UYSNPLJNSA-N 1 1 407.515 -0.828 20 0 HBADMO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000557001841 1072024142 /nfs/dbraw/zinc/02/41/42/1072024142.db2.gz ZHHPDADWJMJTFR-KRWDZBQOSA-N 1 1 405.543 -0.258 20 0 HBADMO CN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000557001842 1072024690 /nfs/dbraw/zinc/02/46/90/1072024690.db2.gz ZHHPDADWJMJTFR-QGZVFWFLSA-N 1 1 405.543 -0.258 20 0 HBADMO 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C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCO1 ZINC000583343515 1068778886 /nfs/dbraw/zinc/77/88/86/1068778886.db2.gz ZRXUEUNBJAHBEA-INIZCTEOSA-N 1 1 420.514 -0.954 20 0 HBADMO C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CCCO1 ZINC000583343516 1068778915 /nfs/dbraw/zinc/77/89/15/1068778915.db2.gz ZRXUEUNBJAHBEA-MRXNPFEDSA-N 1 1 420.514 -0.954 20 0 HBADMO C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCOCC1 ZINC000583370065 1068781823 /nfs/dbraw/zinc/78/18/23/1068781823.db2.gz MKZYIHMCXGBLRK-HNNXBMFYSA-N 1 1 423.514 -0.558 20 0 HBADMO C[C@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C[NH+]1CCOCC1 ZINC000583370066 1068781754 /nfs/dbraw/zinc/78/17/54/1068781754.db2.gz MKZYIHMCXGBLRK-OAHLLOKOSA-N 1 1 423.514 -0.558 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000583394712 1068732281 /nfs/dbraw/zinc/73/22/81/1068732281.db2.gz NGGVHDQIHCXJCP-UHFFFAOYSA-N 1 1 404.511 -0.027 20 0 HBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000583396751 1068783058 /nfs/dbraw/zinc/78/30/58/1068783058.db2.gz QJLPWXRNRGIMLE-UHFFFAOYSA-N 1 1 412.512 -0.495 20 0 HBADMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000583423518 1068785187 /nfs/dbraw/zinc/78/51/87/1068785187.db2.gz PDMGPCOBDNMHAZ-QGZVFWFLSA-N 1 1 418.608 -0.074 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@@H]2CCO)CC1 ZINC000583447862 1068787289 /nfs/dbraw/zinc/78/72/89/1068787289.db2.gz KHYXTRDGALFAGH-HNNXBMFYSA-N 1 1 400.545 -0.580 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCSC[C@H]2CCO)CC1 ZINC000583447863 1068787323 /nfs/dbraw/zinc/78/73/23/1068787323.db2.gz KHYXTRDGALFAGH-OAHLLOKOSA-N 1 1 400.545 -0.580 20 0 HBADMO CC[N@@H+](CCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C1CC1 ZINC000583457526 1068787916 /nfs/dbraw/zinc/78/79/16/1068787916.db2.gz JNGVUNKCZSVNHN-UHFFFAOYSA-N 1 1 407.559 -0.010 20 0 HBADMO COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2=O)c1 ZINC000583457726 1068788050 /nfs/dbraw/zinc/78/80/50/1068788050.db2.gz VOKPEXWHEVWDGV-GDBMZVCRSA-N 1 1 403.483 -0.721 20 0 HBADMO COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2=O)c1 ZINC000583457727 1068787800 /nfs/dbraw/zinc/78/78/00/1068787800.db2.gz VOKPEXWHEVWDGV-GOEBONIOSA-N 1 1 403.483 -0.721 20 0 HBADMO COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2=O)c1 ZINC000583457728 1068787952 /nfs/dbraw/zinc/78/79/52/1068787952.db2.gz VOKPEXWHEVWDGV-HOCLYGCPSA-N 1 1 403.483 -0.721 20 0 HBADMO COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2=O)c1 ZINC000583457729 1068787770 /nfs/dbraw/zinc/78/77/70/1068787770.db2.gz VOKPEXWHEVWDGV-ZBFHGGJFSA-N 1 1 403.483 -0.721 20 0 HBADMO Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000583462189 1068788448 /nfs/dbraw/zinc/78/84/48/1068788448.db2.gz YIDORNWJVBBNID-INIZCTEOSA-N 1 1 404.515 -0.172 20 0 HBADMO Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000583462190 1068788386 /nfs/dbraw/zinc/78/83/86/1068788386.db2.gz YIDORNWJVBBNID-MRXNPFEDSA-N 1 1 404.515 -0.172 20 0 HBADMO O=C(C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000583464438 1068789149 /nfs/dbraw/zinc/78/91/49/1068789149.db2.gz RSMONYJYBWQLDU-HNNXBMFYSA-N 1 1 412.556 -0.139 20 0 HBADMO O=C(C[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000583464438 1068789142 /nfs/dbraw/zinc/78/91/42/1068789142.db2.gz RSMONYJYBWQLDU-HNNXBMFYSA-N 1 1 412.556 -0.139 20 0 HBADMO O=C(C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000583464439 1068789051 /nfs/dbraw/zinc/78/90/51/1068789051.db2.gz RSMONYJYBWQLDU-OAHLLOKOSA-N 1 1 412.556 -0.139 20 0 HBADMO O=C(C[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1)N1CCN(C(=O)C2CC2)CC1 ZINC000583464439 1068789044 /nfs/dbraw/zinc/78/90/44/1068789044.db2.gz RSMONYJYBWQLDU-OAHLLOKOSA-N 1 1 412.556 -0.139 20 0 HBADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529855 1068793284 /nfs/dbraw/zinc/79/32/84/1068793284.db2.gz AGOUWZBWEFERRJ-DZGCQCFKSA-N 1 1 413.500 -0.847 20 0 HBADMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529856 1068793404 /nfs/dbraw/zinc/79/34/04/1068793404.db2.gz AGOUWZBWEFERRJ-HIFRSBDPSA-N 1 1 413.500 -0.847 20 0 HBADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529857 1068793200 /nfs/dbraw/zinc/79/32/00/1068793200.db2.gz AGOUWZBWEFERRJ-UKRRQHHQSA-N 1 1 413.500 -0.847 20 0 HBADMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000583529858 1068793335 /nfs/dbraw/zinc/79/33/35/1068793335.db2.gz AGOUWZBWEFERRJ-ZFWWWQNUSA-N 1 1 413.500 -0.847 20 0 HBADMO O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1)N1CCOCC1 ZINC000583533470 1068794012 /nfs/dbraw/zinc/79/40/12/1068794012.db2.gz VICZZAICFJCOGV-GOSISDBHSA-N 1 1 421.542 -0.878 20 0 HBADMO O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1)N1CCOCC1 ZINC000583533471 1068793706 /nfs/dbraw/zinc/79/37/06/1068793706.db2.gz VICZZAICFJCOGV-SFHVURJKSA-N 1 1 421.542 -0.878 20 0 HBADMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O ZINC000583541705 1068793811 /nfs/dbraw/zinc/79/38/11/1068793811.db2.gz VPRPHXYSJNJPEF-ZDUSSCGKSA-N 1 1 403.483 -0.099 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2c(CC)nn(C)c2OC)CC1 ZINC000583555276 1068794532 /nfs/dbraw/zinc/79/45/32/1068794532.db2.gz QVFJAGAOYUGIJK-UHFFFAOYSA-N 1 1 422.530 -0.286 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2(C(=O)N(C)C)CCCC2)CC1 ZINC000583579439 1068796308 /nfs/dbraw/zinc/79/63/08/1068796308.db2.gz OCENERKAWFECTR-UHFFFAOYSA-N 1 1 423.558 -0.142 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581670 1068796142 /nfs/dbraw/zinc/79/61/42/1068796142.db2.gz YXSDRYZCFVLRLM-MSOLQXFVSA-N 1 1 417.510 -0.084 20 0 HBADMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581671 1068796393 /nfs/dbraw/zinc/79/63/93/1068796393.db2.gz YXSDRYZCFVLRLM-QZTJIDSGSA-N 1 1 417.510 -0.084 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581672 1068796531 /nfs/dbraw/zinc/79/65/31/1068796531.db2.gz YXSDRYZCFVLRLM-ROUUACIJSA-N 1 1 417.510 -0.084 20 0 HBADMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000583581673 1068796266 /nfs/dbraw/zinc/79/62/66/1068796266.db2.gz YXSDRYZCFVLRLM-ZWKOTPCHSA-N 1 1 417.510 -0.084 20 0 HBADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000583585693 1068797014 /nfs/dbraw/zinc/79/70/14/1068797014.db2.gz KZVROAXSLKQTTP-GOSISDBHSA-N 1 1 400.479 -0.297 20 0 HBADMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000583585694 1068797040 /nfs/dbraw/zinc/79/70/40/1068797040.db2.gz KZVROAXSLKQTTP-SFHVURJKSA-N 1 1 400.479 -0.297 20 0 HBADMO O=C(N[C@H]1CCCN(c2cccnc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000583586080 1068797193 /nfs/dbraw/zinc/79/71/93/1068797193.db2.gz CACVPNJNKOETED-AEFFLSMTSA-N 1 1 415.494 -0.126 20 0 HBADMO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000583586081 1068796980 /nfs/dbraw/zinc/79/69/80/1068796980.db2.gz CACVPNJNKOETED-FUHWJXTLSA-N 1 1 415.494 -0.126 20 0 HBADMO O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000583586082 1068796909 /nfs/dbraw/zinc/79/69/09/1068796909.db2.gz CACVPNJNKOETED-SJLPKXTDSA-N 1 1 415.494 -0.126 20 0 HBADMO O=C(N[C@H]1CCCN(c2cccnc2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000583586083 1068797119 /nfs/dbraw/zinc/79/71/19/1068797119.db2.gz CACVPNJNKOETED-WMZOPIPTSA-N 1 1 415.494 -0.126 20 0 HBADMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000583586966 1068797626 /nfs/dbraw/zinc/79/76/26/1068797626.db2.gz QDYPTAHPHGSWPL-OAHLLOKOSA-N 1 1 404.558 -0.082 20 0 HBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+](C)CCn2cc(Br)cn2)CC1 ZINC000583588189 1068797811 /nfs/dbraw/zinc/79/78/11/1068797811.db2.gz SSBCHNGYRFWTHC-UHFFFAOYSA-N 1 1 415.336 -0.190 20 0 HBADMO CN(C)C(=O)CN1CCN(C(=O)C[N@H+](C)CCn2cc(Br)cn2)CC1 ZINC000583588189 1068797806 /nfs/dbraw/zinc/79/78/06/1068797806.db2.gz SSBCHNGYRFWTHC-UHFFFAOYSA-N 1 1 415.336 -0.190 20 0 HBADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)CCC2 ZINC000583591711 1068798114 /nfs/dbraw/zinc/79/81/14/1068798114.db2.gz CULXBNATBVFSAR-BFYDXBDKSA-N 1 1 407.515 -0.063 20 0 HBADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)CCC2 ZINC000583591711 1068798106 /nfs/dbraw/zinc/79/81/06/1068798106.db2.gz CULXBNATBVFSAR-BFYDXBDKSA-N 1 1 407.515 -0.063 20 0 HBADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)CCC2 ZINC000583591712 1068798210 /nfs/dbraw/zinc/79/82/10/1068798210.db2.gz CULXBNATBVFSAR-HLLBOEOZSA-N 1 1 407.515 -0.063 20 0 HBADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)CCC2 ZINC000583591712 1068798199 /nfs/dbraw/zinc/79/81/99/1068798199.db2.gz CULXBNATBVFSAR-HLLBOEOZSA-N 1 1 407.515 -0.063 20 0 HBADMO COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)CCC2 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CGUXLWARMVHCDZ-CQSZACIVSA-N 1 1 402.455 -0.729 20 0 HBADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000606119974 1071092943 /nfs/dbraw/zinc/09/29/43/1071092943.db2.gz HIURUPRVGXEAGG-HNNXBMFYSA-N 1 1 400.443 -0.635 20 0 HBADMO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000606119977 1071092771 /nfs/dbraw/zinc/09/27/71/1071092771.db2.gz HIURUPRVGXEAGG-OAHLLOKOSA-N 1 1 400.443 -0.635 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000606120000 1069274946 /nfs/dbraw/zinc/27/49/46/1069274946.db2.gz INDLXHQWKCFPMQ-AWEZNQCLSA-N 1 1 402.455 -0.175 20 0 HBADMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000606120001 1071092722 /nfs/dbraw/zinc/09/27/22/1071092722.db2.gz INDLXHQWKCFPMQ-CQSZACIVSA-N 1 1 402.455 -0.175 20 0 HBADMO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000606120081 1071092612 /nfs/dbraw/zinc/09/26/12/1071092612.db2.gz NWRKYXBSIKXPQZ-HNNXBMFYSA-N 1 1 410.496 -0.207 20 0 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COc1nc(C)cc(C)c1CNC(=O)C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000671964828 1069140339 /nfs/dbraw/zinc/14/03/39/1069140339.db2.gz QJPINGXCFXJMIX-UHFFFAOYSA-N 1 1 405.499 -0.054 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCN2Cc3ccccc3C2)C1 ZINC000671980810 1069140773 /nfs/dbraw/zinc/14/07/73/1069140773.db2.gz LSSFVLRSTDGUGR-GOSISDBHSA-N 1 1 401.511 -0.178 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCN2Cc3ccccc3C2)C1 ZINC000671980811 1069140922 /nfs/dbraw/zinc/14/09/22/1069140922.db2.gz LSSFVLRSTDGUGR-SFHVURJKSA-N 1 1 401.511 -0.178 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000671980836 1069140677 /nfs/dbraw/zinc/14/06/77/1069140677.db2.gz OJBZPWQNGOBEFG-DLBZAZTESA-N 1 1 409.531 -0.987 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C1 ZINC000671980837 1069140975 /nfs/dbraw/zinc/14/09/75/1069140975.db2.gz OJBZPWQNGOBEFG-IAGOWNOFSA-N 1 1 409.531 -0.987 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000671980838 1069140854 /nfs/dbraw/zinc/14/08/54/1069140854.db2.gz OJBZPWQNGOBEFG-IRXDYDNUSA-N 1 1 409.531 -0.987 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000671980839 1069141017 /nfs/dbraw/zinc/14/10/17/1069141017.db2.gz OJBZPWQNGOBEFG-SJORKVTESA-N 1 1 409.531 -0.987 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000671980944 1069142523 /nfs/dbraw/zinc/14/25/23/1069142523.db2.gz SMJIFUVPHCNECB-CYBMUJFWSA-N 1 1 403.474 -0.464 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NC2CCN(CC(F)F)CC2)C1 ZINC000671980945 1069142625 /nfs/dbraw/zinc/14/26/25/1069142625.db2.gz SMJIFUVPHCNECB-ZDUSSCGKSA-N 1 1 403.474 -0.464 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCCN2CCCCCC2=O)C1 ZINC000671980972 1069141602 /nfs/dbraw/zinc/14/16/02/1069141602.db2.gz XVGAWHGTMMHNEJ-INIZCTEOSA-N 1 1 409.531 -0.401 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCCCN2CCCCCC2=O)C1 ZINC000671980973 1069141817 /nfs/dbraw/zinc/14/18/17/1069141817.db2.gz XVGAWHGTMMHNEJ-MRXNPFEDSA-N 1 1 409.531 -0.401 20 0 HBADMO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccnn1C ZINC000671981008 1069141716 /nfs/dbraw/zinc/14/17/16/1069141716.db2.gz AQQVVPXFWKHYQE-CVEARBPZSA-N 1 1 406.531 -0.021 20 0 HBADMO CC(C)[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccnn1C ZINC000671981009 1069141857 /nfs/dbraw/zinc/14/18/57/1069141857.db2.gz AQQVVPXFWKHYQE-HOTGVXAUSA-N 1 1 406.531 -0.021 20 0 HBADMO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccnn1C ZINC000671981010 1069141841 /nfs/dbraw/zinc/14/18/41/1069141841.db2.gz AQQVVPXFWKHYQE-HZPDHXFCSA-N 1 1 406.531 -0.021 20 0 HBADMO CC(C)[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccnn1C ZINC000671981011 1069141775 /nfs/dbraw/zinc/14/17/75/1069141775.db2.gz AQQVVPXFWKHYQE-JKSUJKDBSA-N 1 1 406.531 -0.021 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C(F)(F)F)O1 ZINC000671981046 1069141873 /nfs/dbraw/zinc/14/18/73/1069141873.db2.gz GJKWFZPPRUBPSZ-AGIUHOORSA-N 1 1 408.421 -0.132 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C(F)(F)F)O1 ZINC000671981047 1069141764 /nfs/dbraw/zinc/14/17/64/1069141764.db2.gz GJKWFZPPRUBPSZ-FRRDWIJNSA-N 1 1 408.421 -0.132 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C(F)(F)F)O1 ZINC000671981048 1069141834 /nfs/dbraw/zinc/14/18/34/1069141834.db2.gz GJKWFZPPRUBPSZ-JHJVBQTASA-N 1 1 408.421 -0.132 20 0 HBADMO C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C(F)(F)F)O1 ZINC000671981049 1069141623 /nfs/dbraw/zinc/14/16/23/1069141623.db2.gz GJKWFZPPRUBPSZ-UPJWGTAASA-N 1 1 408.421 -0.132 20 0 HBADMO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981078 1069143193 /nfs/dbraw/zinc/14/31/93/1069143193.db2.gz JKZJWYZZBACVQN-AEFFLSMTSA-N 1 1 401.511 -0.007 20 0 HBADMO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981079 1069143365 /nfs/dbraw/zinc/14/33/65/1069143365.db2.gz JKZJWYZZBACVQN-FUHWJXTLSA-N 1 1 401.511 -0.007 20 0 HBADMO CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000671981080 1069144297 /nfs/dbraw/zinc/14/42/97/1069144297.db2.gz JKZJWYZZBACVQN-SJLPKXTDSA-N 1 1 401.511 -0.007 20 0 HBADMO CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000671981081 1069144187 /nfs/dbraw/zinc/14/41/87/1069144187.db2.gz JKZJWYZZBACVQN-WMZOPIPTSA-N 1 1 401.511 -0.007 20 0 HBADMO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000671981110 1069144251 /nfs/dbraw/zinc/14/42/51/1069144251.db2.gz BSMOTBBPSHYGAL-INIZCTEOSA-N 1 1 417.514 -0.863 20 0 HBADMO Cc1nccnc1N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000671981111 1069143796 /nfs/dbraw/zinc/14/37/96/1069143796.db2.gz BSMOTBBPSHYGAL-MRXNPFEDSA-N 1 1 417.514 -0.863 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000671981142 1069144321 /nfs/dbraw/zinc/14/43/21/1069144321.db2.gz GXCBNLZZNNHJMB-CVEARBPZSA-N 1 1 402.499 -0.520 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)C1 ZINC000671981143 1069144115 /nfs/dbraw/zinc/14/41/15/1069144115.db2.gz GXCBNLZZNNHJMB-HOTGVXAUSA-N 1 1 402.499 -0.520 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000671981144 1069144077 /nfs/dbraw/zinc/14/40/77/1069144077.db2.gz GXCBNLZZNNHJMB-HZPDHXFCSA-N 1 1 402.499 -0.520 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)C1 ZINC000671981145 1069144335 /nfs/dbraw/zinc/14/43/35/1069144335.db2.gz GXCBNLZZNNHJMB-JKSUJKDBSA-N 1 1 402.499 -0.520 20 0 HBADMO CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCc2c1cnn2C ZINC000671981262 1069143134 /nfs/dbraw/zinc/14/31/34/1069143134.db2.gz SPDQARWIUSEIEI-GDBMZVCRSA-N 1 1 404.515 -0.041 20 0 HBADMO CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCc2c1cnn2C ZINC000671981263 1069143395 /nfs/dbraw/zinc/14/33/95/1069143395.db2.gz SPDQARWIUSEIEI-GOEBONIOSA-N 1 1 404.515 -0.041 20 0 HBADMO CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCc2c1cnn2C ZINC000671981264 1069143387 /nfs/dbraw/zinc/14/33/87/1069143387.db2.gz SPDQARWIUSEIEI-HOCLYGCPSA-N 1 1 404.515 -0.041 20 0 HBADMO CN(C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCc2c1cnn2C ZINC000671981265 1069143147 /nfs/dbraw/zinc/14/31/47/1069143147.db2.gz SPDQARWIUSEIEI-ZBFHGGJFSA-N 1 1 404.515 -0.041 20 0 HBADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000671981294 1069143404 /nfs/dbraw/zinc/14/34/04/1069143404.db2.gz XRYAXSFPQQNXKR-CVEARBPZSA-N 1 1 418.494 -0.182 20 0 HBADMO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000671981295 1069143104 /nfs/dbraw/zinc/14/31/04/1069143104.db2.gz OWURWZCTVOZDMM-HNNXBMFYSA-N 1 1 424.546 -0.658 20 0 HBADMO COc1cccc2c1OC[C@@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC000671981296 1069143298 /nfs/dbraw/zinc/14/32/98/1069143298.db2.gz XRYAXSFPQQNXKR-HOTGVXAUSA-N 1 1 418.494 -0.182 20 0 HBADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000671981297 1069143412 /nfs/dbraw/zinc/14/34/12/1069143412.db2.gz XRYAXSFPQQNXKR-HZPDHXFCSA-N 1 1 418.494 -0.182 20 0 HBADMO COc1cccc2c1OC[C@H](NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)C2 ZINC000671981298 1069143181 /nfs/dbraw/zinc/14/31/81/1069143181.db2.gz XRYAXSFPQQNXKR-JKSUJKDBSA-N 1 1 418.494 -0.182 20 0 HBADMO CC(C)(C)NC(=O)N1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000671981307 1069143344 /nfs/dbraw/zinc/14/33/44/1069143344.db2.gz OWURWZCTVOZDMM-OAHLLOKOSA-N 1 1 424.546 -0.658 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000671981442 1069143249 /nfs/dbraw/zinc/14/32/49/1069143249.db2.gz CTYYOEAYDFATSA-HNNXBMFYSA-N 1 1 413.482 -0.413 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCc2nncn2-c2ccccc2)C1 ZINC000671981443 1069143355 /nfs/dbraw/zinc/14/33/55/1069143355.db2.gz CTYYOEAYDFATSA-OAHLLOKOSA-N 1 1 413.482 -0.413 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981524 1069142570 /nfs/dbraw/zinc/14/25/70/1069142570.db2.gz NGUWJDJEFMSOGX-CHWSQXEVSA-N 1 1 407.437 -0.557 20 0 HBADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981525 1069142464 /nfs/dbraw/zinc/14/24/64/1069142464.db2.gz NGUWJDJEFMSOGX-OLZOCXBDSA-N 1 1 407.437 -0.557 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981526 1069142538 /nfs/dbraw/zinc/14/25/38/1069142538.db2.gz NGUWJDJEFMSOGX-QWHCGFSZSA-N 1 1 407.437 -0.557 20 0 HBADMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000671981527 1069142585 /nfs/dbraw/zinc/14/25/85/1069142585.db2.gz NGUWJDJEFMSOGX-STQMWFEESA-N 1 1 407.437 -0.557 20 0 HBADMO 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Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)cn1C ZINC000676249379 1069516959 /nfs/dbraw/zinc/51/69/59/1069516959.db2.gz PMHQMDOSMROOGI-UKRRQHHQSA-N 1 1 414.532 -0.536 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)cn1C ZINC000676249379 1069516951 /nfs/dbraw/zinc/51/69/51/1069516951.db2.gz PMHQMDOSMROOGI-UKRRQHHQSA-N 1 1 414.532 -0.536 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)cn1C ZINC000676249381 1069516914 /nfs/dbraw/zinc/51/69/14/1069516914.db2.gz PMHQMDOSMROOGI-ZFWWWQNUSA-N 1 1 414.532 -0.536 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)cn1C ZINC000676249381 1069516905 /nfs/dbraw/zinc/51/69/05/1069516905.db2.gz PMHQMDOSMROOGI-ZFWWWQNUSA-N 1 1 414.532 -0.536 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000676250214 1069516825 /nfs/dbraw/zinc/51/68/25/1069516825.db2.gz FOLXKTUNXXLEEF-DOMZBBRYSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000676250214 1069516815 /nfs/dbraw/zinc/51/68/15/1069516815.db2.gz FOLXKTUNXXLEEF-DOMZBBRYSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676250215 1069517010 /nfs/dbraw/zinc/51/70/10/1069517010.db2.gz FOLXKTUNXXLEEF-IUODEOHRSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676250215 1069517006 /nfs/dbraw/zinc/51/70/06/1069517006.db2.gz FOLXKTUNXXLEEF-IUODEOHRSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676250216 1069516940 /nfs/dbraw/zinc/51/69/40/1069516940.db2.gz FOLXKTUNXXLEEF-SWLSCSKDSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676250216 1069516935 /nfs/dbraw/zinc/51/69/35/1069516935.db2.gz FOLXKTUNXXLEEF-SWLSCSKDSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000676250218 1069517043 /nfs/dbraw/zinc/51/70/43/1069517043.db2.gz FOLXKTUNXXLEEF-WFASDCNBSA-N 1 1 413.500 -0.449 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000676250218 1069517039 /nfs/dbraw/zinc/51/70/39/1069517039.db2.gz FOLXKTUNXXLEEF-WFASDCNBSA-N 1 1 413.500 -0.449 20 0 HBADMO CCN1C(=O)[C@H]2C[N@@H+]([C@@H](C)CCN3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251248 1069517555 /nfs/dbraw/zinc/51/75/55/1069517555.db2.gz NGRAXFRWNRJZTP-HRCADAONSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@H]2C[N@H+]([C@@H](C)CCN3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251248 1069517551 /nfs/dbraw/zinc/51/75/51/1069517551.db2.gz NGRAXFRWNRJZTP-HRCADAONSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@H]2CN([C@@H](C)CC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251248 1069517546 /nfs/dbraw/zinc/51/75/46/1069517546.db2.gz NGRAXFRWNRJZTP-HRCADAONSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@@H]2CN(CC[C@H](C)[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251349 1069517718 /nfs/dbraw/zinc/51/77/18/1069517718.db2.gz NGRAXFRWNRJZTP-JYJNAYRXSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@@H]2CN(CC[C@H](C)[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251349 1069517715 /nfs/dbraw/zinc/51/77/15/1069517715.db2.gz NGRAXFRWNRJZTP-JYJNAYRXSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@@H]2CN([C@@H](C)CC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251349 1069517712 /nfs/dbraw/zinc/51/77/12/1069517712.db2.gz NGRAXFRWNRJZTP-JYJNAYRXSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@H]2C[N@@H+]([C@H](C)CCN3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251350 1069517695 /nfs/dbraw/zinc/51/76/95/1069517695.db2.gz NGRAXFRWNRJZTP-OWCLPIDISA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@H]2C[N@H+]([C@H](C)CCN3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251350 1069517694 /nfs/dbraw/zinc/51/76/94/1069517694.db2.gz NGRAXFRWNRJZTP-OWCLPIDISA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@H]2CN([C@H](C)CC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251350 1069517684 /nfs/dbraw/zinc/51/76/84/1069517684.db2.gz NGRAXFRWNRJZTP-OWCLPIDISA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@@H]2CN(CC[C@@H](C)[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251351 1069517463 /nfs/dbraw/zinc/51/74/63/1069517463.db2.gz NGRAXFRWNRJZTP-PMPSAXMXSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@@H]2CN(CC[C@@H](C)[N@@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251351 1069517447 /nfs/dbraw/zinc/51/74/47/1069517447.db2.gz NGRAXFRWNRJZTP-PMPSAXMXSA-N 1 1 420.514 -0.298 20 0 HBADMO CCN1C(=O)[C@@H]2CN([C@H](C)CC[N@H+]3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)CCN2C1=O ZINC000676251351 1069517437 /nfs/dbraw/zinc/51/74/37/1069517437.db2.gz NGRAXFRWNRJZTP-PMPSAXMXSA-N 1 1 420.514 -0.298 20 0 HBADMO C[C@@H](CC[N@@H+](C)CCN1CCCS1(=O)=O)N(C)CCN1CCCS1(=O)=O ZINC000676251655 1069517676 /nfs/dbraw/zinc/51/76/76/1069517676.db2.gz AGGZBJMZDQRXMA-INIZCTEOSA-N 1 1 410.606 -0.300 20 0 HBADMO C[C@@H](CC[N@H+](C)CCN1CCCS1(=O)=O)N(C)CCN1CCCS1(=O)=O ZINC000676251655 1069517673 /nfs/dbraw/zinc/51/76/73/1069517673.db2.gz AGGZBJMZDQRXMA-INIZCTEOSA-N 1 1 410.606 -0.300 20 0 HBADMO C[C@@H](CCN(C)CCN1CCCS1(=O)=O)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000676251655 1069517670 /nfs/dbraw/zinc/51/76/70/1069517670.db2.gz AGGZBJMZDQRXMA-INIZCTEOSA-N 1 1 410.606 -0.300 20 0 HBADMO C[C@H](CC[N@@H+](C)CCN1CCCS1(=O)=O)N(C)CCN1CCCS1(=O)=O ZINC000676251656 1069517631 /nfs/dbraw/zinc/51/76/31/1069517631.db2.gz AGGZBJMZDQRXMA-MRXNPFEDSA-N 1 1 410.606 -0.300 20 0 HBADMO C[C@H](CC[N@H+](C)CCN1CCCS1(=O)=O)N(C)CCN1CCCS1(=O)=O ZINC000676251656 1069517626 /nfs/dbraw/zinc/51/76/26/1069517626.db2.gz AGGZBJMZDQRXMA-MRXNPFEDSA-N 1 1 410.606 -0.300 20 0 HBADMO C[C@H](CCN(C)CCN1CCCS1(=O)=O)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000676251656 1069517624 /nfs/dbraw/zinc/51/76/24/1069517624.db2.gz AGGZBJMZDQRXMA-MRXNPFEDSA-N 1 1 410.606 -0.300 20 0 HBADMO C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676253366 1069517612 /nfs/dbraw/zinc/51/76/12/1069517612.db2.gz WSTWUCFXXJJJMN-PBHICJAKSA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676253366 1069517609 /nfs/dbraw/zinc/51/76/09/1069517609.db2.gz WSTWUCFXXJJJMN-PBHICJAKSA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676253367 1069517328 /nfs/dbraw/zinc/51/73/28/1069517328.db2.gz WSTWUCFXXJJJMN-RHSMWYFYSA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676253367 1069517318 /nfs/dbraw/zinc/51/73/18/1069517318.db2.gz WSTWUCFXXJJJMN-RHSMWYFYSA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676253368 1069517664 /nfs/dbraw/zinc/51/76/64/1069517664.db2.gz WSTWUCFXXJJJMN-WMLDXEAASA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676253368 1069517661 /nfs/dbraw/zinc/51/76/61/1069517661.db2.gz WSTWUCFXXJJJMN-WMLDXEAASA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676253369 1069517531 /nfs/dbraw/zinc/51/75/31/1069517531.db2.gz WSTWUCFXXJJJMN-YOEHRIQHSA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676253369 1069517524 /nfs/dbraw/zinc/51/75/24/1069517524.db2.gz WSTWUCFXXJJJMN-YOEHRIQHSA-N 1 1 411.528 -0.115 20 0 HBADMO C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257260 1069515795 /nfs/dbraw/zinc/51/57/95/1069515795.db2.gz RUUARFGGFHQTOB-BBRMVZONSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257260 1069515789 /nfs/dbraw/zinc/51/57/89/1069515789.db2.gz RUUARFGGFHQTOB-BBRMVZONSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257261 1069515566 /nfs/dbraw/zinc/51/55/66/1069515566.db2.gz RUUARFGGFHQTOB-CJNGLKHVSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257261 1069515558 /nfs/dbraw/zinc/51/55/58/1069515558.db2.gz RUUARFGGFHQTOB-CJNGLKHVSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257262 1069515655 /nfs/dbraw/zinc/51/56/55/1069515655.db2.gz RUUARFGGFHQTOB-CZUORRHYSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676257262 1069515645 /nfs/dbraw/zinc/51/56/45/1069515645.db2.gz RUUARFGGFHQTOB-CZUORRHYSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257263 1069515852 /nfs/dbraw/zinc/51/58/52/1069515852.db2.gz RUUARFGGFHQTOB-XJKSGUPXSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676257263 1069515850 /nfs/dbraw/zinc/51/58/50/1069515850.db2.gz RUUARFGGFHQTOB-XJKSGUPXSA-N 1 1 412.512 -0.498 20 0 HBADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257819 1069515820 /nfs/dbraw/zinc/51/58/20/1069515820.db2.gz KMKJJAMHEWGALF-BBRMVZONSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257819 1069515814 /nfs/dbraw/zinc/51/58/14/1069515814.db2.gz KMKJJAMHEWGALF-BBRMVZONSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676257820 1069515717 /nfs/dbraw/zinc/51/57/17/1069515717.db2.gz KMKJJAMHEWGALF-CJNGLKHVSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676257820 1069515707 /nfs/dbraw/zinc/51/57/07/1069515707.db2.gz KMKJJAMHEWGALF-CJNGLKHVSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257821 1069516391 /nfs/dbraw/zinc/51/63/91/1069516391.db2.gz KMKJJAMHEWGALF-CZUORRHYSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676257821 1069516385 /nfs/dbraw/zinc/51/63/85/1069516385.db2.gz KMKJJAMHEWGALF-CZUORRHYSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676257822 1069516296 /nfs/dbraw/zinc/51/62/96/1069516296.db2.gz KMKJJAMHEWGALF-XJKSGUPXSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676257822 1069516292 /nfs/dbraw/zinc/51/62/92/1069516292.db2.gz KMKJJAMHEWGALF-XJKSGUPXSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258990 1069516455 /nfs/dbraw/zinc/51/64/55/1069516455.db2.gz YVUYHNKCNWUXPR-BBRMVZONSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676258990 1069516450 /nfs/dbraw/zinc/51/64/50/1069516450.db2.gz YVUYHNKCNWUXPR-BBRMVZONSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676258991 1069516188 /nfs/dbraw/zinc/51/61/88/1069516188.db2.gz YVUYHNKCNWUXPR-CJNGLKHVSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676258991 1069516180 /nfs/dbraw/zinc/51/61/80/1069516180.db2.gz YVUYHNKCNWUXPR-CJNGLKHVSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676258992 1069516318 /nfs/dbraw/zinc/51/63/18/1069516318.db2.gz YVUYHNKCNWUXPR-CZUORRHYSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676258992 1069516313 /nfs/dbraw/zinc/51/63/13/1069516313.db2.gz YVUYHNKCNWUXPR-CZUORRHYSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676258993 1069516508 /nfs/dbraw/zinc/51/65/08/1069516508.db2.gz YVUYHNKCNWUXPR-XJKSGUPXSA-N 1 1 410.496 -0.744 20 0 HBADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676258993 1069516502 /nfs/dbraw/zinc/51/65/02/1069516502.db2.gz YVUYHNKCNWUXPR-XJKSGUPXSA-N 1 1 410.496 -0.744 20 0 HBADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676259905 1069516265 /nfs/dbraw/zinc/51/62/65/1069516265.db2.gz DMYZUNFWEIJCSJ-GDBMZVCRSA-N 1 1 414.528 -0.286 20 0 HBADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000676259905 1069516260 /nfs/dbraw/zinc/51/62/60/1069516260.db2.gz DMYZUNFWEIJCSJ-GDBMZVCRSA-N 1 1 414.528 -0.286 20 0 HBADMO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000676259906 1069516376 /nfs/dbraw/zinc/51/63/76/1069516376.db2.gz DMYZUNFWEIJCSJ-GOEBONIOSA-N 1 1 414.528 -0.286 20 0 HBADMO 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C[C@H](NC(=O)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280417 1069519639 /nfs/dbraw/zinc/51/96/39/1069519639.db2.gz SVAUMVOMLOGUMO-YOEHRIQHSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280597 1069519565 /nfs/dbraw/zinc/51/95/65/1069519565.db2.gz JSTSMCHEWUKUQC-CRAIPNDOSA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676280597 1069519559 /nfs/dbraw/zinc/51/95/59/1069519559.db2.gz JSTSMCHEWUKUQC-CRAIPNDOSA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280602 1069519515 /nfs/dbraw/zinc/51/95/15/1069519515.db2.gz JSTSMCHEWUKUQC-MAUKXSAKSA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676280602 1069519503 /nfs/dbraw/zinc/51/95/03/1069519503.db2.gz JSTSMCHEWUKUQC-MAUKXSAKSA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280606 1069519410 /nfs/dbraw/zinc/51/94/10/1069519410.db2.gz JSTSMCHEWUKUQC-QAPCUYQASA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280606 1069519402 /nfs/dbraw/zinc/51/94/02/1069519402.db2.gz JSTSMCHEWUKUQC-QAPCUYQASA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280610 1069519747 /nfs/dbraw/zinc/51/97/47/1069519747.db2.gz JSTSMCHEWUKUQC-YJBOKZPZSA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280610 1069519740 /nfs/dbraw/zinc/51/97/40/1069519740.db2.gz JSTSMCHEWUKUQC-YJBOKZPZSA-N 1 1 418.494 -0.138 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280843 1069519671 /nfs/dbraw/zinc/51/96/71/1069519671.db2.gz UBPHYOUFLHSHDK-PBHICJAKSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280843 1069519664 /nfs/dbraw/zinc/51/96/64/1069519664.db2.gz UBPHYOUFLHSHDK-PBHICJAKSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280844 1069519730 /nfs/dbraw/zinc/51/97/30/1069519730.db2.gz UBPHYOUFLHSHDK-RHSMWYFYSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676280844 1069519722 /nfs/dbraw/zinc/51/97/22/1069519722.db2.gz UBPHYOUFLHSHDK-RHSMWYFYSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280845 1069519449 /nfs/dbraw/zinc/51/94/49/1069519449.db2.gz UBPHYOUFLHSHDK-WMLDXEAASA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676280845 1069519441 /nfs/dbraw/zinc/51/94/41/1069519441.db2.gz UBPHYOUFLHSHDK-WMLDXEAASA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280846 1069519358 /nfs/dbraw/zinc/51/93/58/1069519358.db2.gz UBPHYOUFLHSHDK-YOEHRIQHSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280846 1069519351 /nfs/dbraw/zinc/51/93/51/1069519351.db2.gz UBPHYOUFLHSHDK-YOEHRIQHSA-N 1 1 404.467 -0.067 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280958 1069518737 /nfs/dbraw/zinc/51/87/37/1069518737.db2.gz LKVWXMUFQXCGBN-BBRMVZONSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280958 1069518733 /nfs/dbraw/zinc/51/87/33/1069518733.db2.gz LKVWXMUFQXCGBN-BBRMVZONSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280959 1069518813 /nfs/dbraw/zinc/51/88/13/1069518813.db2.gz LKVWXMUFQXCGBN-CJNGLKHVSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280959 1069518808 /nfs/dbraw/zinc/51/88/08/1069518808.db2.gz LKVWXMUFQXCGBN-CJNGLKHVSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280960 1069518714 /nfs/dbraw/zinc/51/87/14/1069518714.db2.gz LKVWXMUFQXCGBN-CZUORRHYSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676280960 1069518708 /nfs/dbraw/zinc/51/87/08/1069518708.db2.gz LKVWXMUFQXCGBN-CZUORRHYSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676280961 1069518789 /nfs/dbraw/zinc/51/87/89/1069518789.db2.gz LKVWXMUFQXCGBN-XJKSGUPXSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676280961 1069518785 /nfs/dbraw/zinc/51/87/85/1069518785.db2.gz LKVWXMUFQXCGBN-XJKSGUPXSA-N 1 1 406.487 -0.284 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676282419 1069520201 /nfs/dbraw/zinc/52/02/01/1069520201.db2.gz SYXIQOXCFJHPIT-PBHICJAKSA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676282419 1069520188 /nfs/dbraw/zinc/52/01/88/1069520188.db2.gz SYXIQOXCFJHPIT-PBHICJAKSA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676282423 1069520167 /nfs/dbraw/zinc/52/01/67/1069520167.db2.gz SYXIQOXCFJHPIT-RHSMWYFYSA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676282423 1069520155 /nfs/dbraw/zinc/52/01/55/1069520155.db2.gz SYXIQOXCFJHPIT-RHSMWYFYSA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676282425 1069520347 /nfs/dbraw/zinc/52/03/47/1069520347.db2.gz SYXIQOXCFJHPIT-WMLDXEAASA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676282425 1069520340 /nfs/dbraw/zinc/52/03/40/1069520340.db2.gz SYXIQOXCFJHPIT-WMLDXEAASA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676282427 1069519951 /nfs/dbraw/zinc/51/99/51/1069519951.db2.gz SYXIQOXCFJHPIT-YOEHRIQHSA-N 1 1 424.523 -0.305 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676282427 1069519946 /nfs/dbraw/zinc/51/99/46/1069519946.db2.gz SYXIQOXCFJHPIT-YOEHRIQHSA-N 1 1 424.523 -0.305 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000676282771 1069519386 /nfs/dbraw/zinc/51/93/86/1069519386.db2.gz VLUSVNQSVXCRPK-BLLLJJGKSA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000676282771 1069519378 /nfs/dbraw/zinc/51/93/78/1069519378.db2.gz VLUSVNQSVXCRPK-BLLLJJGKSA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000676282776 1069520112 /nfs/dbraw/zinc/52/01/12/1069520112.db2.gz VLUSVNQSVXCRPK-LRDDRELGSA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000676282776 1069520099 /nfs/dbraw/zinc/52/00/99/1069520099.db2.gz VLUSVNQSVXCRPK-LRDDRELGSA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC000676282779 1069520276 /nfs/dbraw/zinc/52/02/76/1069520276.db2.gz VLUSVNQSVXCRPK-MLGOLLRUSA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)CC2 ZINC000676282779 1069520268 /nfs/dbraw/zinc/52/02/68/1069520268.db2.gz VLUSVNQSVXCRPK-MLGOLLRUSA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC000676282784 1069520330 /nfs/dbraw/zinc/52/03/30/1069520330.db2.gz VLUSVNQSVXCRPK-WBMJQRKESA-N 1 1 410.496 -0.681 20 0 HBADMO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC000676282784 1069520325 /nfs/dbraw/zinc/52/03/25/1069520325.db2.gz VLUSVNQSVXCRPK-WBMJQRKESA-N 1 1 410.496 -0.681 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676282796 1069520008 /nfs/dbraw/zinc/52/00/08/1069520008.db2.gz VQHKTYGAGGFRSJ-BLLLJJGKSA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676282796 1069520001 /nfs/dbraw/zinc/52/00/01/1069520001.db2.gz VQHKTYGAGGFRSJ-BLLLJJGKSA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676282800 1069519972 /nfs/dbraw/zinc/51/99/72/1069519972.db2.gz VQHKTYGAGGFRSJ-LRDDRELGSA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676282800 1069519966 /nfs/dbraw/zinc/51/99/66/1069519966.db2.gz VQHKTYGAGGFRSJ-LRDDRELGSA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676282801 1069520311 /nfs/dbraw/zinc/52/03/11/1069520311.db2.gz VQHKTYGAGGFRSJ-MLGOLLRUSA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676282801 1069520304 /nfs/dbraw/zinc/52/03/04/1069520304.db2.gz VQHKTYGAGGFRSJ-MLGOLLRUSA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676282802 1069520362 /nfs/dbraw/zinc/52/03/62/1069520362.db2.gz VQHKTYGAGGFRSJ-WBMJQRKESA-N 1 1 410.496 -0.099 20 0 HBADMO C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676282802 1069520357 /nfs/dbraw/zinc/52/03/57/1069520357.db2.gz VQHKTYGAGGFRSJ-WBMJQRKESA-N 1 1 410.496 -0.099 20 0 HBADMO CN(C)C(=O)CN1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000676287468 1069520134 /nfs/dbraw/zinc/52/01/34/1069520134.db2.gz FQULTKBEZHQALO-UHFFFAOYSA-N 1 1 418.546 -0.596 20 0 HBADMO COCCCS(=O)(=O)N1CCN(C(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000676288552 1069517599 /nfs/dbraw/zinc/51/75/99/1069517599.db2.gz QEMFFSHOOWGYRD-UHFFFAOYSA-N 1 1 419.592 -0.294 20 0 HBADMO C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676292306 1069520687 /nfs/dbraw/zinc/52/06/87/1069520687.db2.gz MOZPJWYQFCFXRK-CVEARBPZSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676292306 1069520668 /nfs/dbraw/zinc/52/06/68/1069520668.db2.gz MOZPJWYQFCFXRK-CVEARBPZSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676292307 1069520880 /nfs/dbraw/zinc/52/08/80/1069520880.db2.gz MOZPJWYQFCFXRK-HOTGVXAUSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676292307 1069520867 /nfs/dbraw/zinc/52/08/67/1069520867.db2.gz MOZPJWYQFCFXRK-HOTGVXAUSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676292308 1069520729 /nfs/dbraw/zinc/52/07/29/1069520729.db2.gz MOZPJWYQFCFXRK-HZPDHXFCSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676292308 1069520722 /nfs/dbraw/zinc/52/07/22/1069520722.db2.gz MOZPJWYQFCFXRK-HZPDHXFCSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676292309 1069520995 /nfs/dbraw/zinc/52/09/95/1069520995.db2.gz MOZPJWYQFCFXRK-JKSUJKDBSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676292309 1069520993 /nfs/dbraw/zinc/52/09/93/1069520993.db2.gz MOZPJWYQFCFXRK-JKSUJKDBSA-N 1 1 405.503 -0.466 20 0 HBADMO C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)[C@H]1C[N@@H+](C)CCO1 ZINC000676294873 1069520948 /nfs/dbraw/zinc/52/09/48/1069520948.db2.gz LUNXREGDZZYECY-GDBMZVCRSA-N 1 1 414.528 -0.182 20 0 HBADMO 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/nfs/dbraw/zinc/88/80/61/1068888061.db2.gz FVIQHHOOOFRYMR-KKUMJFAQSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000685341707 1068887907 /nfs/dbraw/zinc/88/79/07/1068887907.db2.gz FVIQHHOOOFRYMR-RRFJBIMHSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000685341707 1068887900 /nfs/dbraw/zinc/88/79/00/1068887900.db2.gz FVIQHHOOOFRYMR-RRFJBIMHSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[C@H]1C[N@@H+](C)CCO1 ZINC000685341711 1068888222 /nfs/dbraw/zinc/88/82/22/1068888222.db2.gz FVIQHHOOOFRYMR-SOUVJXGZSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)[C@H]1C[N@H+](C)CCO1 ZINC000685341711 1068888210 /nfs/dbraw/zinc/88/82/10/1068888210.db2.gz FVIQHHOOOFRYMR-SOUVJXGZSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000685341712 1068888148 /nfs/dbraw/zinc/88/81/48/1068888148.db2.gz FVIQHHOOOFRYMR-ZNMIVQPWSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)[C@@H]1C[N@H+](C)CCO1 ZINC000685341712 1068888135 /nfs/dbraw/zinc/88/81/35/1068888135.db2.gz FVIQHHOOOFRYMR-ZNMIVQPWSA-N 1 1 404.533 -0.858 20 0 HBADMO C[C@@H](NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000685341939 1068888729 /nfs/dbraw/zinc/88/87/29/1068888729.db2.gz WOYCLTSALAGMHT-MSOLQXFVSA-N 1 1 409.575 -0.112 20 0 HBADMO C[C@@H](NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000685341940 1068888749 /nfs/dbraw/zinc/88/87/49/1068888749.db2.gz WOYCLTSALAGMHT-QZTJIDSGSA-N 1 1 409.575 -0.112 20 0 HBADMO C[C@H](NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CN(C)CCO1 ZINC000685341941 1068889211 /nfs/dbraw/zinc/88/92/11/1068889211.db2.gz WOYCLTSALAGMHT-ROUUACIJSA-N 1 1 409.575 -0.112 20 0 HBADMO C[C@H](NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CN(C)CCO1 ZINC000685341942 1068889068 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ZINC000685342397 1068889128 /nfs/dbraw/zinc/88/91/28/1068889128.db2.gz IFXFWKQYCPTTGF-XEZPLFJOSA-N 1 1 412.512 -0.311 20 0 HBADMO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342397 1068889119 /nfs/dbraw/zinc/88/91/19/1068889119.db2.gz IFXFWKQYCPTTGF-XEZPLFJOSA-N 1 1 412.512 -0.311 20 0 HBADMO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342398 1068888655 /nfs/dbraw/zinc/88/86/55/1068888655.db2.gz IFXFWKQYCPTTGF-ZENOOKHLSA-N 1 1 412.512 -0.311 20 0 HBADMO C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342398 1068888653 /nfs/dbraw/zinc/88/86/53/1068888653.db2.gz IFXFWKQYCPTTGF-ZENOOKHLSA-N 1 1 412.512 -0.311 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342428 1068888781 /nfs/dbraw/zinc/88/87/81/1068888781.db2.gz YGYGVPLVRHVTCU-HMFCVHIJSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342428 1068888769 /nfs/dbraw/zinc/88/87/69/1068888769.db2.gz YGYGVPLVRHVTCU-HMFCVHIJSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342433 1068889095 /nfs/dbraw/zinc/88/90/95/1068889095.db2.gz YGYGVPLVRHVTCU-NZEHOUKNSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342433 1068889087 /nfs/dbraw/zinc/88/90/87/1068889087.db2.gz YGYGVPLVRHVTCU-NZEHOUKNSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342442 1068888712 /nfs/dbraw/zinc/88/87/12/1068888712.db2.gz YGYGVPLVRHVTCU-RPTYLJJZSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342442 1068888705 /nfs/dbraw/zinc/88/87/05/1068888705.db2.gz YGYGVPLVRHVTCU-RPTYLJJZSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342445 1068888636 /nfs/dbraw/zinc/88/86/36/1068888636.db2.gz YGYGVPLVRHVTCU-YJBCQJRQSA-N 1 1 412.531 -0.792 20 0 HBADMO CCOC1CC(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)(N2CCOCC2)C1 ZINC000685342445 1068888628 /nfs/dbraw/zinc/88/86/28/1068888628.db2.gz YGYGVPLVRHVTCU-YJBCQJRQSA-N 1 1 412.531 -0.792 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CN(C)CCO1 ZINC000685342489 1068888840 /nfs/dbraw/zinc/88/88/40/1068888840.db2.gz IAPJJRSBTBEQDU-RDGPPVDQSA-N 1 1 409.575 -0.161 20 0 HBADMO C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CN(C)CCO1 ZINC000685342504 1068889969 /nfs/dbraw/zinc/88/99/69/1068889969.db2.gz IAPJJRSBTBEQDU-ZSYWTGECSA-N 1 1 409.575 -0.161 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343031 1068889693 /nfs/dbraw/zinc/88/96/93/1068889693.db2.gz SPSVVWHPGOXBAT-DLBZAZTESA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685343031 1068889681 /nfs/dbraw/zinc/88/96/81/1068889681.db2.gz SPSVVWHPGOXBAT-DLBZAZTESA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343032 1068889532 /nfs/dbraw/zinc/88/95/32/1068889532.db2.gz SPSVVWHPGOXBAT-IAGOWNOFSA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685343032 1068889520 /nfs/dbraw/zinc/88/95/20/1068889520.db2.gz SPSVVWHPGOXBAT-IAGOWNOFSA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343033 1068890038 /nfs/dbraw/zinc/89/00/38/1068890038.db2.gz SPSVVWHPGOXBAT-IRXDYDNUSA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685343033 1068890026 /nfs/dbraw/zinc/89/00/26/1068890026.db2.gz SPSVVWHPGOXBAT-IRXDYDNUSA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685343434 1068889828 /nfs/dbraw/zinc/88/98/28/1068889828.db2.gz SPSVVWHPGOXBAT-SJORKVTESA-N 1 1 411.547 -0.776 20 0 HBADMO CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685343434 1068889820 /nfs/dbraw/zinc/88/98/20/1068889820.db2.gz SPSVVWHPGOXBAT-SJORKVTESA-N 1 1 411.547 -0.776 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000685343876 1068890123 /nfs/dbraw/zinc/89/01/23/1068890123.db2.gz PQKLZPQUUBKCOE-KBXCAEBGSA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000685343876 1068890107 /nfs/dbraw/zinc/89/01/07/1068890107.db2.gz PQKLZPQUUBKCOE-KBXCAEBGSA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000685343877 1068889728 /nfs/dbraw/zinc/88/97/28/1068889728.db2.gz PQKLZPQUUBKCOE-KDOFPFPSSA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000685343877 1068889719 /nfs/dbraw/zinc/88/97/19/1068889719.db2.gz PQKLZPQUUBKCOE-KDOFPFPSSA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000685343878 1068889955 /nfs/dbraw/zinc/88/99/55/1068889955.db2.gz PQKLZPQUUBKCOE-KSSFIOAISA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000685343878 1068889947 /nfs/dbraw/zinc/88/99/47/1068889947.db2.gz PQKLZPQUUBKCOE-KSSFIOAISA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000685343879 1068889567 /nfs/dbraw/zinc/88/95/67/1068889567.db2.gz PQKLZPQUUBKCOE-RDTXWAMCSA-N 1 1 409.483 -0.140 20 0 HBADMO COc1ccc(OC)c(CN(CCO)C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000685343879 1068889557 /nfs/dbraw/zinc/88/95/57/1068889557.db2.gz PQKLZPQUUBKCOE-RDTXWAMCSA-N 1 1 409.483 -0.140 20 0 HBADMO 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ZINC000733982411 1069897234 /nfs/dbraw/zinc/89/72/34/1069897234.db2.gz SNKDNIPCKAOUOV-UHFFFAOYSA-N 1 1 412.531 -0.787 20 0 HBADMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000733996818 1069897397 /nfs/dbraw/zinc/89/73/97/1069897397.db2.gz JKQYSFDJGJVCKQ-CYBMUJFWSA-N 1 1 415.516 -0.337 20 0 HBADMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000733996822 1069897290 /nfs/dbraw/zinc/89/72/90/1069897290.db2.gz JKQYSFDJGJVCKQ-ZDUSSCGKSA-N 1 1 415.516 -0.337 20 0 HBADMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000733998561 1069897854 /nfs/dbraw/zinc/89/78/54/1069897854.db2.gz YEBUXTGXNDUINO-GFCCVEGCSA-N 1 1 401.489 -0.585 20 0 HBADMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000733998562 1069897940 /nfs/dbraw/zinc/89/79/40/1069897940.db2.gz YEBUXTGXNDUINO-LBPRGKRZSA-N 1 1 401.489 -0.585 20 0 HBADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N[C@@H](CO)C3CC3)c2)CC1 ZINC000734227909 1069903071 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/nfs/dbraw/zinc/90/32/88/1069903288.db2.gz BFXSSAMUJNPDII-MRXNPFEDSA-N 1 1 404.467 -0.092 20 0 HBADMO C[NH+]1CCC(N2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271960 1069904004 /nfs/dbraw/zinc/90/40/04/1069904004.db2.gz GUVGDLKNWNYPNV-HNNXBMFYSA-N 1 1 403.549 -0.884 20 0 HBADMO CN1CCC([N@H+]2CC[C@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271960 1069903991 /nfs/dbraw/zinc/90/39/91/1069903991.db2.gz GUVGDLKNWNYPNV-HNNXBMFYSA-N 1 1 403.549 -0.884 20 0 HBADMO C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271970 1069904175 /nfs/dbraw/zinc/90/41/75/1069904175.db2.gz GUVGDLKNWNYPNV-OAHLLOKOSA-N 1 1 403.549 -0.884 20 0 HBADMO CN1CCC([N@H+]2CC[C@@H](NC(=O)NCCS(=O)(=O)N3CCOCC3)C2)CC1 ZINC000734271970 1069904163 /nfs/dbraw/zinc/90/41/63/1069904163.db2.gz GUVGDLKNWNYPNV-OAHLLOKOSA-N 1 1 403.549 -0.884 20 0 HBADMO CCNS(=O)(=O)CCNC(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000734277599 1069904790 /nfs/dbraw/zinc/90/47/90/1069904790.db2.gz YDQXNTBPTLHFMS-UHFFFAOYSA-N 1 1 403.549 -0.489 20 0 HBADMO NC(=O)[C@@H]1CC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466154 1069906652 /nfs/dbraw/zinc/90/66/52/1069906652.db2.gz HFJYRCCMGYZECX-APWZRJJASA-N 1 1 414.510 -0.371 20 0 HBADMO NC(=O)[C@@H]1CC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466155 1069906466 /nfs/dbraw/zinc/90/64/66/1069906466.db2.gz HFJYRCCMGYZECX-LPHOPBHVSA-N 1 1 414.510 -0.371 20 0 HBADMO NC(=O)[C@H]1CC(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466156 1069906581 /nfs/dbraw/zinc/90/65/81/1069906581.db2.gz HFJYRCCMGYZECX-QFBILLFUSA-N 1 1 414.510 -0.371 20 0 HBADMO NC(=O)[C@H]1CC(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)=NN1c1ccccc1 ZINC000734466157 1069906754 /nfs/dbraw/zinc/90/67/54/1069906754.db2.gz HFJYRCCMGYZECX-VQIMIIECSA-N 1 1 414.510 -0.371 20 0 HBADMO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)ccc1F ZINC000734467025 1069905824 /nfs/dbraw/zinc/90/58/24/1069905824.db2.gz QZILGJZHGZEEEZ-AWEZNQCLSA-N 1 1 400.476 -0.391 20 0 HBADMO 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ZINC000734686815 1069909139 /nfs/dbraw/zinc/90/91/39/1069909139.db2.gz VSQOSHZDHSNPBF-INIZCTEOSA-N 1 1 403.549 -0.930 20 0 HBADMO CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000734686816 1069909249 /nfs/dbraw/zinc/90/92/49/1069909249.db2.gz VSQOSHZDHSNPBF-MRXNPFEDSA-N 1 1 403.549 -0.930 20 0 HBADMO C[N@@H+](CCCO)C1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000734698135 1069910176 /nfs/dbraw/zinc/91/01/76/1069910176.db2.gz WSPDBXCTPHRYKZ-UHFFFAOYSA-N 1 1 417.510 -0.134 20 0 HBADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735004635 1069916669 /nfs/dbraw/zinc/91/66/69/1069916669.db2.gz JDIIWPLTDFBZFG-UHFFFAOYSA-N 1 1 415.450 -0.268 20 0 HBADMO Cn1cc(C(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(=O)n(C)c1=O ZINC000735011310 1069916518 /nfs/dbraw/zinc/91/65/18/1069916518.db2.gz AFJPETVAWCBKOB-INIZCTEOSA-N 1 1 413.478 -0.289 20 0 HBADMO Cn1cc(C(=O)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(=O)n(C)c1=O ZINC000735011311 1069917242 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ZINC000745469596 1070082676 /nfs/dbraw/zinc/08/26/76/1070082676.db2.gz BYKVCNJYUDAMHC-CQSZACIVSA-N 1 1 400.439 -0.174 20 0 HBADMO Cc1cccc(C[NH+]2CCN(C(=O)COC(=O)c3cn(CC(N)=O)nn3)CC2)c1 ZINC000745470941 1070083367 /nfs/dbraw/zinc/08/33/67/1070083367.db2.gz MTSSEMXIMNVTCR-UHFFFAOYSA-N 1 1 400.439 -0.427 20 0 HBADMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3cn(CC(N)=O)nn3)CC2)cc1 ZINC000745471111 1070083732 /nfs/dbraw/zinc/08/37/32/1070083732.db2.gz STAQUNUGNHNODD-UHFFFAOYSA-N 1 1 414.466 -0.037 20 0 HBADMO C[C@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745471233 1070083634 /nfs/dbraw/zinc/08/36/34/1070083634.db2.gz YLVHAQMWJNPFFA-DZGCQCFKSA-N 1 1 400.439 -0.301 20 0 HBADMO C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745471234 1070083795 /nfs/dbraw/zinc/08/37/95/1070083795.db2.gz YLVHAQMWJNPFFA-HIFRSBDPSA-N 1 1 400.439 -0.301 20 0 HBADMO C[C@@H](OC(=O)c1cn(CC(N)=O)nn1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000745471235 1070083444 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404.533 -0.455 20 0 HBADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCOCCS(C)(=O)=O)CC2)CC1 ZINC000745855640 1070092011 /nfs/dbraw/zinc/09/20/11/1070092011.db2.gz XAMRQOBHAFWWKV-UHFFFAOYSA-N 1 1 418.560 -0.367 20 0 HBADMO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000745860287 1070092136 /nfs/dbraw/zinc/09/21/36/1070092136.db2.gz ODECFGIFDIJHDR-KRWDZBQOSA-N 1 1 418.608 -0.216 20 0 HBADMO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000745860288 1070092704 /nfs/dbraw/zinc/09/27/04/1070092704.db2.gz ODECFGIFDIJHDR-QGZVFWFLSA-N 1 1 418.608 -0.216 20 0 HBADMO COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000745991812 1070093161 /nfs/dbraw/zinc/09/31/61/1070093161.db2.gz UHFURKACGXLBLF-NTCAYCPXSA-N 1 1 407.496 -0.118 20 0 HBADMO COC(=O)/C=C1\SCC(=O)N1CCC[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000745991813 1070093840 /nfs/dbraw/zinc/09/38/40/1070093840.db2.gz UHFURKACGXLBLF-QINSGFPZSA-N 1 1 407.496 -0.118 20 0 HBADMO 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CCC1N=NC(=S)N1CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000746302206 1070103246 /nfs/dbraw/zinc/10/32/46/1070103246.db2.gz NEOCLTCIEUZKQQ-CQSZACIVSA-N 1 1 410.544 -0.041 20 0 HBADMO CC(C)OCC[NH+]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000746351804 1070106143 /nfs/dbraw/zinc/10/61/43/1070106143.db2.gz ROPGZGPFLFBMQI-HNNXBMFYSA-N 1 1 414.528 -0.279 20 0 HBADMO CC(C)OCC[NH+]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000746351805 1070106003 /nfs/dbraw/zinc/10/60/03/1070106003.db2.gz ROPGZGPFLFBMQI-OAHLLOKOSA-N 1 1 414.528 -0.279 20 0 HBADMO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373763 1070107733 /nfs/dbraw/zinc/10/77/33/1070107733.db2.gz ACXXBBSYVSVZJG-DLBZAZTESA-N 1 1 403.483 -0.134 20 0 HBADMO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373763 1070107725 /nfs/dbraw/zinc/10/77/25/1070107725.db2.gz ACXXBBSYVSVZJG-DLBZAZTESA-N 1 1 403.483 -0.134 20 0 HBADMO Cn1cc(C[C@@H]2CC(=O)N(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373764 1070107791 /nfs/dbraw/zinc/10/77/91/1070107791.db2.gz ACXXBBSYVSVZJG-IAGOWNOFSA-N 1 1 403.483 -0.134 20 0 HBADMO Cn1cc(C[C@@H]2CC(=O)N(C[N@@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373764 1070107786 /nfs/dbraw/zinc/10/77/86/1070107786.db2.gz ACXXBBSYVSVZJG-IAGOWNOFSA-N 1 1 403.483 -0.134 20 0 HBADMO Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373765 1070107831 /nfs/dbraw/zinc/10/78/31/1070107831.db2.gz ACXXBBSYVSVZJG-IRXDYDNUSA-N 1 1 403.483 -0.134 20 0 HBADMO Cn1cc(C[C@H]2CC(=O)N(C[N@@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373765 1070107828 /nfs/dbraw/zinc/10/78/28/1070107828.db2.gz ACXXBBSYVSVZJG-IRXDYDNUSA-N 1 1 403.483 -0.134 20 0 HBADMO Cn1cc(C[C@H]2CC(=O)N(C[N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)C2=O)cn1 ZINC000746373766 1070107872 /nfs/dbraw/zinc/10/78/72/1070107872.db2.gz ACXXBBSYVSVZJG-SJORKVTESA-N 1 1 403.483 -0.134 20 0 HBADMO 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O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000770666098 1070252588 /nfs/dbraw/zinc/25/25/88/1070252588.db2.gz UAUUKVPIKYLLMR-CPJFLIEQSA-N 1 1 406.464 -0.338 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000770666099 1070252366 /nfs/dbraw/zinc/25/23/66/1070252366.db2.gz UAUUKVPIKYLLMR-WZDVSDCHSA-N 1 1 406.464 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000770666099 1070252356 /nfs/dbraw/zinc/25/23/56/1070252356.db2.gz UAUUKVPIKYLLMR-WZDVSDCHSA-N 1 1 406.464 -0.338 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000770666676 1070252318 /nfs/dbraw/zinc/25/23/18/1070252318.db2.gz UAUUKVPIKYLLMR-ATZAMGTHSA-N 1 1 406.464 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000770666676 1070252307 /nfs/dbraw/zinc/25/23/07/1070252307.db2.gz UAUUKVPIKYLLMR-ATZAMGTHSA-N 1 1 406.464 -0.338 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000770666678 1070252470 /nfs/dbraw/zinc/25/24/70/1070252470.db2.gz UAUUKVPIKYLLMR-ICSFJGLHSA-N 1 1 406.464 -0.338 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)C[C@H]1CO)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000770666678 1070252455 /nfs/dbraw/zinc/25/24/55/1070252455.db2.gz UAUUKVPIKYLLMR-ICSFJGLHSA-N 1 1 406.464 -0.338 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2S1(=O)=O ZINC000770730190 1070254241 /nfs/dbraw/zinc/25/42/41/1070254241.db2.gz WMHSHWONGJMHTM-DOMZBBRYSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc2S1(=O)=O ZINC000770730190 1070254234 /nfs/dbraw/zinc/25/42/34/1070254234.db2.gz WMHSHWONGJMHTM-DOMZBBRYSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc2S1(=O)=O ZINC000770730194 1070254067 /nfs/dbraw/zinc/25/40/67/1070254067.db2.gz WMHSHWONGJMHTM-IUODEOHRSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc2S1(=O)=O ZINC000770730194 1070254050 /nfs/dbraw/zinc/25/40/50/1070254050.db2.gz WMHSHWONGJMHTM-IUODEOHRSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc2S1(=O)=O ZINC000770730198 1070253938 /nfs/dbraw/zinc/25/39/38/1070253938.db2.gz WMHSHWONGJMHTM-SWLSCSKDSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc2S1(=O)=O ZINC000770730198 1070253931 /nfs/dbraw/zinc/25/39/31/1070253931.db2.gz WMHSHWONGJMHTM-SWLSCSKDSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2S1(=O)=O ZINC000770730201 1070254003 /nfs/dbraw/zinc/25/40/03/1070254003.db2.gz WMHSHWONGJMHTM-WFASDCNBSA-N 1 1 411.480 -0.074 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc2S1(=O)=O ZINC000770730201 1070253995 /nfs/dbraw/zinc/25/39/95/1070253995.db2.gz WMHSHWONGJMHTM-WFASDCNBSA-N 1 1 411.480 -0.074 20 0 HBADMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000770800489 1070257171 /nfs/dbraw/zinc/25/71/71/1070257171.db2.gz KTWBICKBIOYWSU-INIZCTEOSA-N 1 1 416.526 -0.297 20 0 HBADMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000770800490 1070257074 /nfs/dbraw/zinc/25/70/74/1070257074.db2.gz KTWBICKBIOYWSU-MRXNPFEDSA-N 1 1 416.526 -0.297 20 0 HBADMO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)c1=O ZINC000771203209 1070264052 /nfs/dbraw/zinc/26/40/52/1070264052.db2.gz RFBNGUOGOSGVKK-CVEARBPZSA-N 1 1 400.439 -0.511 20 0 HBADMO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc2)c1=O ZINC000771203281 1070263825 /nfs/dbraw/zinc/26/38/25/1070263825.db2.gz RFBNGUOGOSGVKK-HOTGVXAUSA-N 1 1 400.439 -0.511 20 0 HBADMO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc2)c1=O ZINC000771203282 1070263742 /nfs/dbraw/zinc/26/37/42/1070263742.db2.gz RFBNGUOGOSGVKK-HZPDHXFCSA-N 1 1 400.439 -0.511 20 0 HBADMO Cn1cnn(-c2ccc(NC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc2)c1=O ZINC000771203283 1070263987 /nfs/dbraw/zinc/26/39/87/1070263987.db2.gz RFBNGUOGOSGVKK-JKSUJKDBSA-N 1 1 400.439 -0.511 20 0 HBADMO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC000771241864 1070265224 /nfs/dbraw/zinc/26/52/24/1070265224.db2.gz DWFACJUHEXGJTI-FQEVSTJZSA-N 1 1 417.466 -0.472 20 0 HBADMO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC000771241867 1070265133 /nfs/dbraw/zinc/26/51/33/1070265133.db2.gz DWFACJUHEXGJTI-HXUWFJFHSA-N 1 1 417.466 -0.472 20 0 HBADMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000771256230 1070266482 /nfs/dbraw/zinc/26/64/82/1070266482.db2.gz MJQVCAQQWRDTRH-FQEVSTJZSA-N 1 1 404.467 -0.093 20 0 HBADMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+](CCO)CC2)C1=O ZINC000771256265 1070266436 /nfs/dbraw/zinc/26/64/36/1070266436.db2.gz MJQVCAQQWRDTRH-HXUWFJFHSA-N 1 1 404.467 -0.093 20 0 HBADMO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000771261827 1070266179 /nfs/dbraw/zinc/26/61/79/1070266179.db2.gz XKYFTPRXFABMOR-JLTOFOAXSA-N 1 1 404.467 -0.013 20 0 HBADMO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000771261829 1070266274 /nfs/dbraw/zinc/26/62/74/1070266274.db2.gz XKYFTPRXFABMOR-VBKZILBWSA-N 1 1 404.467 -0.013 20 0 HBADMO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)C1=O ZINC000771261832 1070267055 /nfs/dbraw/zinc/26/70/55/1070267055.db2.gz XKYFTPRXFABMOR-VLIAUNLRSA-N 1 1 404.467 -0.013 20 0 HBADMO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)C1=O ZINC000771261836 1070266889 /nfs/dbraw/zinc/26/68/89/1070266889.db2.gz XKYFTPRXFABMOR-XOBRGWDASA-N 1 1 404.467 -0.013 20 0 HBADMO C[NH+]1CCN(CCC(C)(C)NC(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000771311360 1070267378 /nfs/dbraw/zinc/26/73/78/1070267378.db2.gz KINBEYOCKISENG-UHFFFAOYSA-N 1 1 405.565 -0.636 20 0 HBADMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000771467540 1070271059 /nfs/dbraw/zinc/27/10/59/1070271059.db2.gz TZAIBKUSXDQSPO-CYBMUJFWSA-N 1 1 415.516 -0.324 20 0 HBADMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000771467551 1070271017 /nfs/dbraw/zinc/27/10/17/1070271017.db2.gz TZAIBKUSXDQSPO-ZDUSSCGKSA-N 1 1 415.516 -0.324 20 0 HBADMO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1=O ZINC000771483227 1070271631 /nfs/dbraw/zinc/27/16/31/1070271631.db2.gz ZZBLGLFZOQCAHB-JLTOFOAXSA-N 1 1 403.483 -0.176 20 0 HBADMO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1=O ZINC000771483229 1070271849 /nfs/dbraw/zinc/27/18/49/1070271849.db2.gz ZZBLGLFZOQCAHB-VBKZILBWSA-N 1 1 403.483 -0.176 20 0 HBADMO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1=O ZINC000771483230 1070271734 /nfs/dbraw/zinc/27/17/34/1070271734.db2.gz ZZBLGLFZOQCAHB-VLIAUNLRSA-N 1 1 403.483 -0.176 20 0 HBADMO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1=O ZINC000771483233 1070271654 /nfs/dbraw/zinc/27/16/54/1070271654.db2.gz ZZBLGLFZOQCAHB-XOBRGWDASA-N 1 1 403.483 -0.176 20 0 HBADMO C[NH+]1CCN(C(=O)CCNS(=O)(=O)CCNC(=O)OCc2ccccc2)CC1 ZINC000771729319 1070277715 /nfs/dbraw/zinc/27/77/15/1070277715.db2.gz AFSIAUCCZUYSDX-UHFFFAOYSA-N 1 1 412.512 -0.004 20 0 HBADMO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766294 1070280108 /nfs/dbraw/zinc/28/01/08/1070280108.db2.gz LYNICXAHALLIKW-KRWDZBQOSA-N 1 1 417.576 -0.542 20 0 HBADMO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771766294 1070280099 /nfs/dbraw/zinc/28/00/99/1070280099.db2.gz LYNICXAHALLIKW-KRWDZBQOSA-N 1 1 417.576 -0.542 20 0 HBADMO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766295 1070279949 /nfs/dbraw/zinc/27/99/49/1070279949.db2.gz LYNICXAHALLIKW-QGZVFWFLSA-N 1 1 417.576 -0.542 20 0 HBADMO CN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771766295 1070279935 /nfs/dbraw/zinc/27/99/35/1070279935.db2.gz LYNICXAHALLIKW-QGZVFWFLSA-N 1 1 417.576 -0.542 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000771816075 1070281255 /nfs/dbraw/zinc/28/12/55/1070281255.db2.gz QIFTUDABGYUXSU-KBPBESRZSA-N 1 1 400.501 -0.933 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000771816084 1070281102 /nfs/dbraw/zinc/28/11/02/1070281102.db2.gz QIFTUDABGYUXSU-KGLIPLIRSA-N 1 1 400.501 -0.933 20 0 HBADMO CC[C@@H](CO)[NH+]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000771816085 1070281216 /nfs/dbraw/zinc/28/12/16/1070281216.db2.gz QIFTUDABGYUXSU-UONOGXRCSA-N 1 1 400.501 -0.933 20 0 HBADMO CC[C@H](CO)[NH+]1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000771816086 1070281170 /nfs/dbraw/zinc/28/11/70/1070281170.db2.gz QIFTUDABGYUXSU-ZIAGYGMSSA-N 1 1 400.501 -0.933 20 0 HBADMO CCOC(=O)CNC(=O)C1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000771851375 1070282593 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C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000787612634 1070377241 /nfs/dbraw/zinc/37/72/41/1070377241.db2.gz ZJZSQEXOHYQQJN-INIZCTEOSA-N 1 1 410.515 -0.151 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000787612645 1070376935 /nfs/dbraw/zinc/37/69/35/1070376935.db2.gz ZJZSQEXOHYQQJN-MRXNPFEDSA-N 1 1 410.515 -0.151 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000787613071 1070376969 /nfs/dbraw/zinc/37/69/69/1070376969.db2.gz OFSVRAHTUCNGQY-IPYPFGDCSA-N 1 1 400.570 -0.238 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000787613425 1070376897 /nfs/dbraw/zinc/37/68/97/1070376897.db2.gz OFSVRAHTUCNGQY-NFAWXSAZSA-N 1 1 400.570 -0.238 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000787613427 1070377128 /nfs/dbraw/zinc/37/71/28/1070377128.db2.gz OFSVRAHTUCNGQY-UMVBOHGHSA-N 1 1 400.570 -0.238 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000787613431 1070376862 /nfs/dbraw/zinc/37/68/62/1070376862.db2.gz OFSVRAHTUCNGQY-VNHYZAJKSA-N 1 1 400.570 -0.238 20 0 HBADMO Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000787615225 1070377169 /nfs/dbraw/zinc/37/71/69/1070377169.db2.gz WXEPQSHFNXVYTL-DLBZAZTESA-N 1 1 420.514 -0.885 20 0 HBADMO Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000787615230 1070376728 /nfs/dbraw/zinc/37/67/28/1070376728.db2.gz WXEPQSHFNXVYTL-IAGOWNOFSA-N 1 1 420.514 -0.885 20 0 HBADMO Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000787615239 1070377004 /nfs/dbraw/zinc/37/70/04/1070377004.db2.gz WXEPQSHFNXVYTL-IRXDYDNUSA-N 1 1 420.514 -0.885 20 0 HBADMO Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)C(=O)NCCC(=O)N2CC[NH+](C)CC2)cn1 ZINC000787615249 1070376827 /nfs/dbraw/zinc/37/68/27/1070376827.db2.gz WXEPQSHFNXVYTL-SJORKVTESA-N 1 1 420.514 -0.885 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 ZINC000787615305 1070376788 /nfs/dbraw/zinc/37/67/88/1070376788.db2.gz XEINYIWGOFJSDY-UHFFFAOYSA-N 1 1 417.466 -0.460 20 0 HBADMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000787667469 1070379691 /nfs/dbraw/zinc/37/96/91/1070379691.db2.gz CXHOMPRBTCTAPB-HNNXBMFYSA-N 1 1 402.561 -0.540 20 0 HBADMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000787667470 1070379879 /nfs/dbraw/zinc/37/98/79/1070379879.db2.gz CXHOMPRBTCTAPB-OAHLLOKOSA-N 1 1 402.561 -0.540 20 0 HBADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000787850333 1070384554 /nfs/dbraw/zinc/38/45/54/1070384554.db2.gz FLWGUHCFVQGBOK-CABCVRRESA-N 1 1 410.496 -0.810 20 0 HBADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000787850341 1070384908 /nfs/dbraw/zinc/38/49/08/1070384908.db2.gz FLWGUHCFVQGBOK-GJZGRUSLSA-N 1 1 410.496 -0.810 20 0 HBADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000787850342 1070384746 /nfs/dbraw/zinc/38/47/46/1070384746.db2.gz FLWGUHCFVQGBOK-HUUCEWRRSA-N 1 1 410.496 -0.810 20 0 HBADMO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000787850344 1070384504 /nfs/dbraw/zinc/38/45/04/1070384504.db2.gz FLWGUHCFVQGBOK-LSDHHAIUSA-N 1 1 410.496 -0.810 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000787850373 1070384854 /nfs/dbraw/zinc/38/48/54/1070384854.db2.gz FRLVALJYRCVSBH-UHFFFAOYSA-N 1 1 424.567 -0.187 20 0 HBADMO CS(=O)(=O)CCNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000787850974 1070385345 /nfs/dbraw/zinc/38/53/45/1070385345.db2.gz IREWHYWLUVYNOC-UHFFFAOYSA-N 1 1 410.540 -0.529 20 0 HBADMO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000787852268 1070385473 /nfs/dbraw/zinc/38/54/73/1070385473.db2.gz QKODXYHPYJLXGC-GOSISDBHSA-N 1 1 415.538 0.000 20 0 HBADMO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000787852269 1070385196 /nfs/dbraw/zinc/38/51/96/1070385196.db2.gz QKODXYHPYJLXGC-SFHVURJKSA-N 1 1 415.538 0.000 20 0 HBADMO C[N@H+]1CCN(CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000787855105 1070386548 /nfs/dbraw/zinc/38/65/48/1070386548.db2.gz NNNOUDCYCXIJLA-KRWDZBQOSA-N 1 1 410.540 -0.358 20 0 HBADMO C[N@@H+]1CCN(CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000787855105 1070386529 /nfs/dbraw/zinc/38/65/29/1070386529.db2.gz NNNOUDCYCXIJLA-KRWDZBQOSA-N 1 1 410.540 -0.358 20 0 HBADMO CN1CC[N@@H+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000787855105 1070386509 /nfs/dbraw/zinc/38/65/09/1070386509.db2.gz NNNOUDCYCXIJLA-KRWDZBQOSA-N 1 1 410.540 -0.358 20 0 HBADMO C[N@H+]1CCN(CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000787855106 1070386429 /nfs/dbraw/zinc/38/64/29/1070386429.db2.gz NNNOUDCYCXIJLA-QGZVFWFLSA-N 1 1 410.540 -0.358 20 0 HBADMO C[N@@H+]1CCN(CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000787855106 1070386415 /nfs/dbraw/zinc/38/64/15/1070386415.db2.gz NNNOUDCYCXIJLA-QGZVFWFLSA-N 1 1 410.540 -0.358 20 0 HBADMO CN1CC[N@@H+](CCCNC(=O)C(=O)NCCS(C)(=O)=O)[C@@H](c2ccccc2)C1 ZINC000787855106 1070386399 /nfs/dbraw/zinc/38/63/99/1070386399.db2.gz NNNOUDCYCXIJLA-QGZVFWFLSA-N 1 1 410.540 -0.358 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000787859820 1070385934 /nfs/dbraw/zinc/38/59/34/1070385934.db2.gz YFMQTWDNXGALIH-GOSISDBHSA-N 1 1 424.567 -0.016 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000787859820 1070385921 /nfs/dbraw/zinc/38/59/21/1070385921.db2.gz YFMQTWDNXGALIH-GOSISDBHSA-N 1 1 424.567 -0.016 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000787859820 1070385906 /nfs/dbraw/zinc/38/59/06/1070385906.db2.gz YFMQTWDNXGALIH-GOSISDBHSA-N 1 1 424.567 -0.016 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000787859822 1070386157 /nfs/dbraw/zinc/38/61/57/1070386157.db2.gz YFMQTWDNXGALIH-SFHVURJKSA-N 1 1 424.567 -0.016 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000787859822 1070386139 /nfs/dbraw/zinc/38/61/39/1070386139.db2.gz YFMQTWDNXGALIH-SFHVURJKSA-N 1 1 424.567 -0.016 20 0 HBADMO CN(CCS(C)(=O)=O)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000787859822 1070386120 /nfs/dbraw/zinc/38/61/20/1070386120.db2.gz YFMQTWDNXGALIH-SFHVURJKSA-N 1 1 424.567 -0.016 20 0 HBADMO COC(=O)[C@]12CN(C(=O)C(=O)NCCCCN3CC[NH+](C)CC3)C[C@H]1COCC2 ZINC000787907060 1070386931 /nfs/dbraw/zinc/38/69/31/1070386931.db2.gz BNVDGTGAMQXNRA-OXJNMPFZSA-N 1 1 410.515 -0.832 20 0 HBADMO CC[NH+]1CCN(CCCCNC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CC1 ZINC000787914162 1070387687 /nfs/dbraw/zinc/38/76/87/1070387687.db2.gz XQQGBAOFWZLEIP-LAUBAEHRSA-N 1 1 424.542 -0.442 20 0 HBADMO CC1(C)OCC(CO)([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CO1 ZINC000787998787 1070392447 /nfs/dbraw/zinc/39/24/47/1070392447.db2.gz IWOKJHQQKOTSDJ-CABCVRRESA-N 1 1 420.528 -0.715 20 0 HBADMO CC1(C)OCC(CO)([NH2+]CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CO1 ZINC000787998795 1070393105 /nfs/dbraw/zinc/39/31/05/1070393105.db2.gz IWOKJHQQKOTSDJ-GJZGRUSLSA-N 1 1 420.528 -0.715 20 0 HBADMO CC1(C)OCC(CO)([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CO1 ZINC000787998797 1070392937 /nfs/dbraw/zinc/39/29/37/1070392937.db2.gz IWOKJHQQKOTSDJ-HUUCEWRRSA-N 1 1 420.528 -0.715 20 0 HBADMO CC1(C)OCC(CO)([NH2+]CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CO1 ZINC000787998798 1070393142 /nfs/dbraw/zinc/39/31/42/1070393142.db2.gz IWOKJHQQKOTSDJ-LSDHHAIUSA-N 1 1 420.528 -0.715 20 0 HBADMO CC1(C)OCC(CO)([NH2+]CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CO1 ZINC000787999936 1070393035 /nfs/dbraw/zinc/39/30/35/1070393035.db2.gz PQOZBZQFYSPPLL-UHFFFAOYSA-N 1 1 401.485 -0.904 20 0 HBADMO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788010445 1070394906 /nfs/dbraw/zinc/39/49/06/1070394906.db2.gz KZEWJTIGIILZNR-PMACEKPBSA-N 1 1 415.538 -0.096 20 0 HBADMO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788010448 1070394752 /nfs/dbraw/zinc/39/47/52/1070394752.db2.gz KZEWJTIGIILZNR-UXHICEINSA-N 1 1 415.538 -0.096 20 0 HBADMO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000788010450 1070394509 /nfs/dbraw/zinc/39/45/09/1070394509.db2.gz KZEWJTIGIILZNR-VQTJNVASSA-N 1 1 415.538 -0.096 20 0 HBADMO O=C(NCCN1CCN(c2ccccc2)CC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000788010453 1070394410 /nfs/dbraw/zinc/39/44/10/1070394410.db2.gz KZEWJTIGIILZNR-WOJBJXKFSA-N 1 1 415.538 -0.096 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000788048913 1070395971 /nfs/dbraw/zinc/39/59/71/1070395971.db2.gz BORAOZYGKHFFEE-AWEZNQCLSA-N 1 1 411.503 -0.561 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC000788049493 1070395791 /nfs/dbraw/zinc/39/57/91/1070395791.db2.gz IFNQHRPDUHKEIU-UHFFFAOYSA-N 1 1 401.511 -0.030 20 0 HBADMO CCn1c(CNC(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)nc2ccccc21 ZINC000788049854 1070395658 /nfs/dbraw/zinc/39/56/58/1070395658.db2.gz NSNPKDVAGGXHGA-UHFFFAOYSA-N 1 1 400.483 -0.001 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000788050068 1070396734 /nfs/dbraw/zinc/39/67/34/1070396734.db2.gz OSUFTQNEHPNXCY-CYBMUJFWSA-N 1 1 413.519 -0.410 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000788050069 1070396419 /nfs/dbraw/zinc/39/64/19/1070396419.db2.gz OSUFTQNEHPNXCY-ZDUSSCGKSA-N 1 1 413.519 -0.410 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC000788050125 1070396558 /nfs/dbraw/zinc/39/65/58/1070396558.db2.gz QTVXAJMXDMVEGL-UHFFFAOYSA-N 1 1 411.503 -0.750 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCN(c3ncccc3F)CC2)CC1 ZINC000788050155 1070395736 /nfs/dbraw/zinc/39/57/36/1070395736.db2.gz RQIOOLAOQNDLQY-UHFFFAOYSA-N 1 1 420.489 -0.414 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCOc2ccccc2OC)CC1 ZINC000788050211 1070396700 /nfs/dbraw/zinc/39/67/00/1070396700.db2.gz RVLCKVYARBKNKO-UHFFFAOYSA-N 1 1 406.483 -0.141 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000788050254 1070396624 /nfs/dbraw/zinc/39/66/24/1070396624.db2.gz SJLILROHVGFENP-UHFFFAOYSA-N 1 1 413.519 -0.314 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000788050455 1070396772 /nfs/dbraw/zinc/39/67/72/1070396772.db2.gz XYTXTXLZUVJXIZ-CYBMUJFWSA-N 1 1 413.519 -0.315 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC000788050456 1070396931 /nfs/dbraw/zinc/39/69/31/1070396931.db2.gz XYTXTXLZUVJXIZ-ZDUSSCGKSA-N 1 1 413.519 -0.315 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC000788050547 1070396484 /nfs/dbraw/zinc/39/64/84/1070396484.db2.gz ZPICISNSKUOYFB-UHFFFAOYSA-N 1 1 424.571 -0.661 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000788050570 1070396967 /nfs/dbraw/zinc/39/69/67/1070396967.db2.gz ALKJFRLKKADJFE-IPYPFGDCSA-N 1 1 400.570 -0.191 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000788050571 1070396520 /nfs/dbraw/zinc/39/65/20/1070396520.db2.gz ALKJFRLKKADJFE-NFAWXSAZSA-N 1 1 400.570 -0.191 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000788050572 1070396310 /nfs/dbraw/zinc/39/63/10/1070396310.db2.gz ALKJFRLKKADJFE-UMVBOHGHSA-N 1 1 400.570 -0.191 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000788050573 1070396837 /nfs/dbraw/zinc/39/68/37/1070396837.db2.gz ALKJFRLKKADJFE-VNHYZAJKSA-N 1 1 400.570 -0.191 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCc2c(OC)cc(OC)cc2OC)CC1 ZINC000788050579 1070396870 /nfs/dbraw/zinc/39/68/70/1070396870.db2.gz ATQHLWVOHSQMIV-UHFFFAOYSA-N 1 1 422.482 -0.345 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000788050674 1070396068 /nfs/dbraw/zinc/39/60/68/1070396068.db2.gz BORAOZYGKHFFEE-CQSZACIVSA-N 1 1 411.503 -0.561 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000788050827 1070396030 /nfs/dbraw/zinc/39/60/30/1070396030.db2.gz CTHUROLJIMZULT-CZDRUDQFSA-N 1 1 410.515 -0.249 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)CC1 ZINC000788050830 1070395879 /nfs/dbraw/zinc/39/58/79/1070395879.db2.gz CTHUROLJIMZULT-FXUPRZHBSA-N 1 1 410.515 -0.249 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000788051142 1070396347 /nfs/dbraw/zinc/39/63/47/1070396347.db2.gz HADLGUOVMVTOKH-CYBMUJFWSA-N 1 1 413.519 -0.268 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000788051144 1070396663 /nfs/dbraw/zinc/39/66/63/1070396663.db2.gz HADLGUOVMVTOKH-ZDUSSCGKSA-N 1 1 413.519 -0.268 20 0 HBADMO CCN(CCNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1)C(=O)OC(C)(C)C ZINC000788051146 1070396589 /nfs/dbraw/zinc/39/65/89/1070396589.db2.gz HAKVQAAOZZXHFP-UHFFFAOYSA-N 1 1 413.519 -0.314 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000788051349 1070396897 /nfs/dbraw/zinc/39/68/97/1070396897.db2.gz JDVXTKNZUZGNON-UHFFFAOYSA-N 1 1 413.519 -0.362 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)CC1 ZINC000788051634 1070396388 /nfs/dbraw/zinc/39/63/88/1070396388.db2.gz MKLMYWMGUNWOCS-CYBMUJFWSA-N 1 1 405.503 -0.369 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)CC1 ZINC000788051635 1070396805 /nfs/dbraw/zinc/39/68/05/1070396805.db2.gz MKLMYWMGUNWOCS-ZDUSSCGKSA-N 1 1 405.503 -0.369 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000788052316 1070397595 /nfs/dbraw/zinc/39/75/95/1070397595.db2.gz PPUKNRRSLMPBFU-UHFFFAOYSA-N 1 1 413.519 -0.314 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000788052321 1070397101 /nfs/dbraw/zinc/39/71/01/1070397101.db2.gz PQUYVTIDKCSZHO-KRWDZBQOSA-N 1 1 415.494 -0.457 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000788052326 1070397126 /nfs/dbraw/zinc/39/71/26/1070397126.db2.gz PQUYVTIDKCSZHO-QGZVFWFLSA-N 1 1 415.494 -0.457 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCCCC3)O2)CC1 ZINC000788052542 1070397471 /nfs/dbraw/zinc/39/74/71/1070397471.db2.gz RBZPGXNHMKIIGB-INIZCTEOSA-N 1 1 410.515 -0.105 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCCCC3)O2)CC1 ZINC000788052547 1070397302 /nfs/dbraw/zinc/39/73/02/1070397302.db2.gz RBZPGXNHMKIIGB-MRXNPFEDSA-N 1 1 410.515 -0.105 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000788052756 1070397621 /nfs/dbraw/zinc/39/76/21/1070397621.db2.gz SGRWARVPRXHNRR-CVEARBPZSA-N 1 1 422.482 -0.743 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000788052757 1070397242 /nfs/dbraw/zinc/39/72/42/1070397242.db2.gz SGRWARVPRXHNRR-HOTGVXAUSA-N 1 1 422.482 -0.743 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000788052758 1070397369 /nfs/dbraw/zinc/39/73/69/1070397369.db2.gz SGRWARVPRXHNRR-HZPDHXFCSA-N 1 1 422.482 -0.743 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000788052759 1070397165 /nfs/dbraw/zinc/39/71/65/1070397165.db2.gz SGRWARVPRXHNRR-JKSUJKDBSA-N 1 1 422.482 -0.743 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000788053331 1070397208 /nfs/dbraw/zinc/39/72/08/1070397208.db2.gz VRNCMJUMKWNWTC-UHFFFAOYSA-N 1 1 411.503 -0.608 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000788053971 1070397406 /nfs/dbraw/zinc/39/74/06/1070397406.db2.gz YZKHEALTEVGAGD-UHFFFAOYSA-N 1 1 413.519 -0.268 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC(C3OCCO3)CC2)CC1 ZINC000788069928 1070397864 /nfs/dbraw/zinc/39/78/64/1070397864.db2.gz QZIVXPDTEVDPAL-UHFFFAOYSA-N 1 1 410.515 -0.295 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[S@@](=O)C(C)(C)C)CC1 ZINC000788074257 1070398450 /nfs/dbraw/zinc/39/84/50/1070398450.db2.gz GQCRTAZRJDABLY-HHHXNRCGSA-N 1 1 402.561 -0.243 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[S@](=O)C(C)(C)C)CC1 ZINC000788074258 1069008036 /nfs/dbraw/zinc/00/80/36/1069008036.db2.gz GQCRTAZRJDABLY-MHZLTWQESA-N 1 1 402.561 -0.243 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CC2(C)OCCO2)CC1 ZINC000788076684 1070398504 /nfs/dbraw/zinc/39/85/04/1070398504.db2.gz PTJNEZTXYCPTLQ-HNNXBMFYSA-N 1 1 412.531 -0.001 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CC2(C)OCCO2)CC1 ZINC000788076689 1070398400 /nfs/dbraw/zinc/39/84/00/1070398400.db2.gz PTJNEZTXYCPTLQ-OAHLLOKOSA-N 1 1 412.531 -0.001 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)CC1 ZINC000788087898 1070399447 /nfs/dbraw/zinc/39/94/47/1070399447.db2.gz CIMPSYQTNCXIBM-INIZCTEOSA-N 1 1 410.515 -0.105 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)CC1 ZINC000788087900 1070399037 /nfs/dbraw/zinc/39/90/37/1070399037.db2.gz CIMPSYQTNCXIBM-MRXNPFEDSA-N 1 1 410.515 -0.105 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000788089293 1070399415 /nfs/dbraw/zinc/39/94/15/1070399415.db2.gz ATUQITWVYUFLKV-HNNXBMFYSA-N 1 1 411.503 -0.560 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000788089294 1070399382 /nfs/dbraw/zinc/39/93/82/1070399382.db2.gz ATUQITWVYUFLKV-OAHLLOKOSA-N 1 1 411.503 -0.560 20 0 HBADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000788089446 1070398813 /nfs/dbraw/zinc/39/88/13/1070398813.db2.gz DDYXQZWWMMDIQM-DLBZAZTESA-N 1 1 409.531 -0.927 20 0 HBADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089451 1070398895 /nfs/dbraw/zinc/39/88/95/1070398895.db2.gz DDYXQZWWMMDIQM-IAGOWNOFSA-N 1 1 409.531 -0.927 20 0 HBADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000788089453 1070399237 /nfs/dbraw/zinc/39/92/37/1070399237.db2.gz DDYXQZWWMMDIQM-IRXDYDNUSA-N 1 1 409.531 -0.927 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C3OCCO3)C2)CC1 ZINC000788089664 1070398691 /nfs/dbraw/zinc/39/86/91/1070398691.db2.gz MXERXNUAKDSGLT-HNNXBMFYSA-N 1 1 410.515 -0.295 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C3OCCO3)C2)CC1 ZINC000788089665 1070399311 /nfs/dbraw/zinc/39/93/11/1070399311.db2.gz MXERXNUAKDSGLT-OAHLLOKOSA-N 1 1 410.515 -0.295 20 0 HBADMO CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000788089939 1070399092 /nfs/dbraw/zinc/39/90/92/1070399092.db2.gz DDYXQZWWMMDIQM-SJORKVTESA-N 1 1 409.531 -0.927 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)OCC)CC2)CC1 ZINC000788090904 1070398724 /nfs/dbraw/zinc/39/87/24/1070398724.db2.gz SIYOPFGYPJPLNB-UHFFFAOYSA-N 1 1 411.503 -0.606 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2C2OCCO2)CC1 ZINC000788092069 1070398753 /nfs/dbraw/zinc/39/87/53/1070398753.db2.gz WSKZPBKUIKUFON-INIZCTEOSA-N 1 1 410.515 -0.153 20 0 HBADMO CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C2OCCO2)CC1 ZINC000788092072 1070399346 /nfs/dbraw/zinc/39/93/46/1070399346.db2.gz WSKZPBKUIKUFON-MRXNPFEDSA-N 1 1 410.515 -0.153 20 0 HBADMO C[NH+]1CCN([C@H](CNC(=O)C(=O)NCCS(C)(=O)=O)c2cccs2)CC1 ZINC000788383511 1070411672 /nfs/dbraw/zinc/41/16/72/1070411672.db2.gz COXNMRUGMITKTG-CYBMUJFWSA-N 1 1 402.542 -0.686 20 0 HBADMO C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCCS(C)(=O)=O)c2cccs2)CC1 ZINC000788383512 1070411612 /nfs/dbraw/zinc/41/16/12/1070411612.db2.gz COXNMRUGMITKTG-ZDUSSCGKSA-N 1 1 402.542 -0.686 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788384404 1070412523 /nfs/dbraw/zinc/41/25/23/1070412523.db2.gz JCMBBVBNFCSLJV-DLBZAZTESA-N 1 1 411.524 -0.057 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788384404 1070412514 /nfs/dbraw/zinc/41/25/14/1070412514.db2.gz JCMBBVBNFCSLJV-DLBZAZTESA-N 1 1 411.524 -0.057 20 0 HBADMO CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788384405 1070412390 /nfs/dbraw/zinc/41/23/90/1070412390.db2.gz JCMBBVBNFCSLJV-IAGOWNOFSA-N 1 1 411.524 -0.057 20 0 HBADMO CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788384405 1070412386 /nfs/dbraw/zinc/41/23/86/1070412386.db2.gz JCMBBVBNFCSLJV-IAGOWNOFSA-N 1 1 411.524 -0.057 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788384406 1070412307 /nfs/dbraw/zinc/41/23/07/1070412307.db2.gz JCMBBVBNFCSLJV-IRXDYDNUSA-N 1 1 411.524 -0.057 20 0 HBADMO CC[C@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000788384406 1070412302 /nfs/dbraw/zinc/41/23/02/1070412302.db2.gz JCMBBVBNFCSLJV-IRXDYDNUSA-N 1 1 411.524 -0.057 20 0 HBADMO CC[C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000788384407 1070412451 /nfs/dbraw/zinc/41/24/51/1070412451.db2.gz JCMBBVBNFCSLJV-SJORKVTESA-N 1 1 411.524 -0.057 20 0 HBADMO 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CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 ZINC000856827595 1071841815 /nfs/dbraw/zinc/84/18/15/1071841815.db2.gz JJGJZLHGDKGKKL-INIZCTEOSA-N 1 1 418.560 -0.008 20 0 HBADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)C1 ZINC000856827598 1071841901 /nfs/dbraw/zinc/84/19/01/1071841901.db2.gz JJGJZLHGDKGKKL-MRXNPFEDSA-N 1 1 418.560 -0.008 20 0 HBADMO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000880166518 1071890382 /nfs/dbraw/zinc/89/03/82/1071890382.db2.gz GSWQSXDQQOYXCP-UHFFFAOYSA-N 1 1 410.496 -0.377 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CC[NH+](CC(N)=O)CC3)C2=O)cc1 ZINC000880167275 1071890556 /nfs/dbraw/zinc/89/05/56/1071890556.db2.gz QAVULSGJAMNWFB-FQEVSTJZSA-N 1 1 417.466 -0.472 20 0 HBADMO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CC[NH+](CC(N)=O)CC3)C2=O)cc1 ZINC000880167276 1071890494 /nfs/dbraw/zinc/89/04/94/1071890494.db2.gz QAVULSGJAMNWFB-HXUWFJFHSA-N 1 1 417.466 -0.472 20 0 HBADMO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CC[NH+](CC(N)=O)CC3)C2=O)cc1 ZINC000880167708 1071890336 /nfs/dbraw/zinc/89/03/36/1071890336.db2.gz WQWOMWLCOKMBMT-FQEVSTJZSA-N 1 1 401.467 -0.172 20 0 HBADMO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC3CC[NH+](CC(N)=O)CC3)C2=O)cc1 ZINC000880167709 1071890517 /nfs/dbraw/zinc/89/05/17/1071890517.db2.gz WQWOMWLCOKMBMT-HXUWFJFHSA-N 1 1 401.467 -0.172 20 0 HBADMO Cc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000880181661 1071890979 /nfs/dbraw/zinc/89/09/79/1071890979.db2.gz DBYCDUJBIGPDCF-UHFFFAOYSA-N 1 1 424.523 -0.305 20 0 HBADMO CSC[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000880183764 1071891488 /nfs/dbraw/zinc/89/14/88/1071891488.db2.gz ZKEVBKRYIVPPTA-QLFBSQMISA-N 1 1 410.540 -0.041 20 0 HBADMO CSC[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000880183765 1071891087 /nfs/dbraw/zinc/89/10/87/1071891087.db2.gz ZKEVBKRYIVPPTA-RBSFLKMASA-N 1 1 410.540 -0.041 20 0 HBADMO CSC[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000880183766 1071890943 /nfs/dbraw/zinc/89/09/43/1071890943.db2.gz ZKEVBKRYIVPPTA-SOUVJXGZSA-N 1 1 410.540 -0.041 20 0 HBADMO CSC[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000880183767 1071891307 /nfs/dbraw/zinc/89/13/07/1071891307.db2.gz ZKEVBKRYIVPPTA-ZNMIVQPWSA-N 1 1 410.540 -0.041 20 0 HBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)[C@@H](C)O)cc1 ZINC000880188185 1071891190 /nfs/dbraw/zinc/89/11/90/1071891190.db2.gz SWEXKXYWZZILNE-CXAGYDPISA-N 1 1 412.512 -0.911 20 0 HBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)[C@@H](C)O)cc1 ZINC000880188186 1071891032 /nfs/dbraw/zinc/89/10/32/1071891032.db2.gz SWEXKXYWZZILNE-DYVFJYSZSA-N 1 1 412.512 -0.911 20 0 HBADMO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)[C@H](C)O)cc1 ZINC000880188187 1071891252 /nfs/dbraw/zinc/89/12/52/1071891252.db2.gz SWEXKXYWZZILNE-GUYCJALGSA-N 1 1 412.512 -0.911 20 0 HBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2CC[NH+](CC(N)=O)CC2)[C@H](C)O)cc1 ZINC000880188188 1071891062 /nfs/dbraw/zinc/89/10/62/1071891062.db2.gz SWEXKXYWZZILNE-SUMWQHHRSA-N 1 1 412.512 -0.911 20 0 HBADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000880197721 1071891372 /nfs/dbraw/zinc/89/13/72/1071891372.db2.gz BZTMOHUJHUBSJZ-UHFFFAOYSA-N 1 1 412.512 -0.401 20 0 HBADMO COc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1S(=O)(=O)NC1CC1 ZINC000880198085 1071890960 /nfs/dbraw/zinc/89/09/60/1071890960.db2.gz PNZNARRZNWDTNO-UHFFFAOYSA-N 1 1 410.496 -0.185 20 0 HBADMO NC(=O)C[NH+]1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000880200858 1071891229 /nfs/dbraw/zinc/89/12/29/1071891229.db2.gz DXMQTNIRUPARQC-UHFFFAOYSA-N 1 1 416.525 -0.552 20 0 HBADMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000880213217 1071891434 /nfs/dbraw/zinc/89/14/34/1071891434.db2.gz MFIMQNXSKXSIBE-UHFFFAOYSA-N 1 1 410.496 -0.377 20 0 HBADMO C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC000880214995 1071891110 /nfs/dbraw/zinc/89/11/10/1071891110.db2.gz QUZHTTFNWQJBKA-IBGZPJMESA-N 1 1 405.430 -0.341 20 0 HBADMO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NC2CC[NH+](CC(N)=O)CC2)C1=O ZINC000880214996 1071891008 /nfs/dbraw/zinc/89/10/08/1071891008.db2.gz QUZHTTFNWQJBKA-LJQANCHMSA-N 1 1 405.430 -0.341 20 0 HBADMO NC(=O)C[NH+]1CCC(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000895540799 1071115860 /nfs/dbraw/zinc/11/58/60/1071115860.db2.gz JTWNYDYILVQKFZ-UHFFFAOYSA-N 1 1 400.476 -0.050 20 0 HBADMO COC(=O)c1c[nH]nc1S(=O)(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000912543645 1070610346 /nfs/dbraw/zinc/61/03/46/1070610346.db2.gz FYVZSFZZVDFZNM-UHFFFAOYSA-N 1 1 413.500 -0.239 20 0 HBADMO COC(=O)c1c[nH]nc1S(=O)(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000912544065 1070610288 /nfs/dbraw/zinc/61/02/88/1070610288.db2.gz JOKDEFFGLCPQLQ-UHFFFAOYSA-N 1 1 421.479 -0.181 20 0 HBADMO COC(=O)c1c[nH]nc1S(=O)(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000912546068 1070608733 /nfs/dbraw/zinc/60/87/33/1070608733.db2.gz ZSRQJEHXUATBQD-UHFFFAOYSA-N 1 1 423.499 -0.133 20 0 HBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000913083935 1070668760 /nfs/dbraw/zinc/66/87/60/1070668760.db2.gz VUDMIMBOKWDVKG-INIZCTEOSA-N 1 1 404.446 -0.522 20 0 HBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000913083938 1070668797 /nfs/dbraw/zinc/66/87/97/1070668797.db2.gz VUDMIMBOKWDVKG-MRXNPFEDSA-N 1 1 404.446 -0.522 20 0 HBADMO C[NH+](C)CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000913129923 1070672618 /nfs/dbraw/zinc/67/26/18/1070672618.db2.gz YGWRGYFRGVMPOM-DOTOQJQBSA-N 1 1 421.523 -0.316 20 0 HBADMO C[NH+](C)CCN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000913129924 1070672565 /nfs/dbraw/zinc/67/25/65/1070672565.db2.gz YGWRGYFRGVMPOM-NVXWUHKLSA-N 1 1 421.523 -0.316 20 0 HBADMO C[NH+](C)CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000913129925 1070672463 /nfs/dbraw/zinc/67/24/63/1070672463.db2.gz YGWRGYFRGVMPOM-RDJZCZTQSA-N 1 1 421.523 -0.316 20 0 HBADMO C[NH+](C)CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000913129926 1070672400 /nfs/dbraw/zinc/67/24/00/1070672400.db2.gz YGWRGYFRGVMPOM-WBVHZDCISA-N 1 1 421.523 -0.316 20 0 HBADMO O=C(COC(=O)CC[C@@H]1NC(=O)NC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000913266807 1070681137 /nfs/dbraw/zinc/68/11/37/1070681137.db2.gz JCENXMJCVOBHKH-AWEZNQCLSA-N 1 1 410.471 -0.331 20 0 HBADMO O=C(COC(=O)CC[C@H]1NC(=O)NC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000913266808 1070681194 /nfs/dbraw/zinc/68/11/94/1070681194.db2.gz JCENXMJCVOBHKH-CQSZACIVSA-N 1 1 410.471 -0.331 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000913378540 1070689068 /nfs/dbraw/zinc/68/90/68/1070689068.db2.gz DDWRQQPKWYNLRH-GFCCVEGCSA-N 1 1 403.439 -0.658 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000913378541 1070688879 /nfs/dbraw/zinc/68/88/79/1070688879.db2.gz DDWRQQPKWYNLRH-LBPRGKRZSA-N 1 1 403.439 -0.658 20 0 HBADMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000914450219 1071621761 /nfs/dbraw/zinc/62/17/61/1071621761.db2.gz YDUDLEZFIFRTEY-UHFFFAOYSA-N 1 1 414.466 -0.243 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000914648622 1071639635 /nfs/dbraw/zinc/63/96/35/1071639635.db2.gz CORDOYCIGMXXNG-KKUMJFAQSA-N 1 1 415.512 -0.882 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000914648623 1071639554 /nfs/dbraw/zinc/63/95/54/1071639554.db2.gz CORDOYCIGMXXNG-RRFJBIMHSA-N 1 1 415.512 -0.882 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000914648624 1071639560 /nfs/dbraw/zinc/63/95/60/1071639560.db2.gz CORDOYCIGMXXNG-SOUVJXGZSA-N 1 1 415.512 -0.882 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000914648625 1071639616 /nfs/dbraw/zinc/63/96/16/1071639616.db2.gz CORDOYCIGMXXNG-ZNMIVQPWSA-N 1 1 415.512 -0.882 20 0 HBADMO CS(=O)(=O)NCCC(=O)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000914649381 1071639597 /nfs/dbraw/zinc/63/95/97/1071639597.db2.gz KTIYGIUSPRZFKM-UHFFFAOYSA-N 1 1 405.517 -0.380 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655969 1071641561 /nfs/dbraw/zinc/64/15/61/1071641561.db2.gz YNGLBFGOJRLWPV-JYJNAYRXSA-N 1 1 402.513 -0.078 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655970 1071641579 /nfs/dbraw/zinc/64/15/79/1071641579.db2.gz YNGLBFGOJRLWPV-OAGGEKHMSA-N 1 1 402.513 -0.078 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655971 1071641680 /nfs/dbraw/zinc/64/16/80/1071641680.db2.gz YNGLBFGOJRLWPV-PMPSAXMXSA-N 1 1 402.513 -0.078 20 0 HBADMO CC(C)C[N@H+]1CCO[C@H](COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC000914655972 1071642155 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20 0 HBADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001128012132 1069114039 /nfs/dbraw/zinc/11/40/39/1069114039.db2.gz XWKJTVLEOBPIBZ-ULQDDVLXSA-N 1 1 414.572 -0.305 20 0 HBADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC001128012133 1069114282 /nfs/dbraw/zinc/11/42/82/1069114282.db2.gz XWKJTVLEOBPIBZ-YESZJQIVSA-N 1 1 414.572 -0.305 20 0 HBADMO CN(C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC001128012133 1069114278 /nfs/dbraw/zinc/11/42/78/1069114278.db2.gz XWKJTVLEOBPIBZ-YESZJQIVSA-N 1 1 414.572 -0.305 20 0 HBADMO CCN1C(=O)CO[C@H](C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)[C@H]1c1nccn1C ZINC001128174692 1069215077 /nfs/dbraw/zinc/21/50/77/1069215077.db2.gz GXPYZHPDRFKLHD-NJAFHUGGSA-N 1 1 406.531 -0.149 20 0 HBADMO CCN1C(=O)CO[C@H](C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)[C@H]1c1nccn1C ZINC001128174693 1069214930 /nfs/dbraw/zinc/21/49/30/1069214930.db2.gz GXPYZHPDRFKLHD-SZMVWBNQSA-N 1 1 406.531 -0.149 20 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NC(=O)NC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001130406023 1070613193 /nfs/dbraw/zinc/61/31/93/1070613193.db2.gz UZYHRJYFYMMGJC-MAXXOLAJSA-N 1 1 402.455 -0.567 20 0 HBADMO O=C(NCc1n[nH]c([C@H]2CC[C@@H](C[NH2+]CCOCCO)O2)n1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001130792575 1070675266 /nfs/dbraw/zinc/67/52/66/1070675266.db2.gz KXJVJEIIIRBDSH-CQZDKXCPSA-N 1 1 421.498 -0.337 20 0 HBADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307001 1070883311 /nfs/dbraw/zinc/88/33/11/1070883311.db2.gz DNIDCZIOWFBYPE-CABCVRRESA-N 1 1 412.512 -0.479 20 0 HBADMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307006 1070883372 /nfs/dbraw/zinc/88/33/72/1070883372.db2.gz DNIDCZIOWFBYPE-GJZGRUSLSA-N 1 1 412.512 -0.479 20 0 HBADMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001134307007 1070883682 /nfs/dbraw/zinc/88/36/82/1070883682.db2.gz DNIDCZIOWFBYPE-HUUCEWRRSA-N 1 1 412.512 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CNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001136144159 1070974060 /nfs/dbraw/zinc/97/40/60/1070974060.db2.gz JQSMXVDNXGTCNQ-OAHLLOKOSA-N 1 1 404.471 -0.497 20 0 HBADMO CNC(=O)C[NH+]1CCC(NC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)CC1 ZINC001136144191 1070974200 /nfs/dbraw/zinc/97/42/00/1070974200.db2.gz KRHKCMVYNDHODR-UHFFFAOYSA-N 1 1 409.491 -0.257 20 0 HBADMO C[NH+]1CCN(CCCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187738 1070977308 /nfs/dbraw/zinc/97/73/08/1070977308.db2.gz KWNSGUBSIAWGIF-CVEARBPZSA-N 1 1 400.545 -0.834 20 0 HBADMO C[NH+]1CCN(CCCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187739 1070977102 /nfs/dbraw/zinc/97/71/02/1070977102.db2.gz KWNSGUBSIAWGIF-HOTGVXAUSA-N 1 1 400.545 -0.834 20 0 HBADMO C[NH+]1CCN(CCCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001136187740 1070977035 /nfs/dbraw/zinc/97/70/35/1070977035.db2.gz KWNSGUBSIAWGIF-HZPDHXFCSA-N 1 1 400.545 -0.834 20 0 HBADMO 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CCC[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)S(N)(=O)=O ZINC001136638891 1071010297 /nfs/dbraw/zinc/01/02/97/1071010297.db2.gz QPZVCFASRYRBOJ-MRXNPFEDSA-N 1 1 417.576 -0.860 20 0 HBADMO COc1c[nH]c(C(=O)N(C)C2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)cc1=O ZINC001136638961 1071010360 /nfs/dbraw/zinc/01/03/60/1071010360.db2.gz UMTIZGMPPKZBSV-UHFFFAOYSA-N 1 1 405.499 -0.306 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 ZINC001136639679 1071011266 /nfs/dbraw/zinc/01/12/66/1071011266.db2.gz WCMIEYQMLGKIFN-INIZCTEOSA-N 1 1 401.467 -0.204 20 0 HBADMO C[C@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC001136650789 1071011485 /nfs/dbraw/zinc/01/14/85/1071011485.db2.gz LIWVABQNMHPXIS-CRAIPNDOSA-N 1 1 421.517 -0.272 20 0 HBADMO C[C@@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC001136650790 1071011534 /nfs/dbraw/zinc/01/15/34/1071011534.db2.gz LIWVABQNMHPXIS-MAUKXSAKSA-N 1 1 421.517 -0.272 20 0 HBADMO 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C[NH+]1CCN(C(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136659483 1071012197 /nfs/dbraw/zinc/01/21/97/1071012197.db2.gz GIRBSIKWALQKFK-HNNXBMFYSA-N 1 1 407.446 -0.920 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136659484 1071012279 /nfs/dbraw/zinc/01/22/79/1071012279.db2.gz GIRBSIKWALQKFK-OAHLLOKOSA-N 1 1 407.446 -0.920 20 0 HBADMO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001136659520 1071011962 /nfs/dbraw/zinc/01/19/62/1071011962.db2.gz HWPACFLYSZMWSS-UHFFFAOYSA-N 1 1 414.484 -0.755 20 0 HBADMO COc1cc2nc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)c(=O)n(C)c2cc1OC ZINC001136659822 1071011707 /nfs/dbraw/zinc/01/17/07/1071011707.db2.gz RTYOKARDEHOGKM-UHFFFAOYSA-N 1 1 417.466 -0.155 20 0 HBADMO C[NH+]1CCN(C(=O)CCNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 ZINC001136660049 1071012313 /nfs/dbraw/zinc/01/23/13/1071012313.db2.gz ZWBASLISXBRLEY-UHFFFAOYSA-N 1 1 404.467 -0.350 20 0 HBADMO Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001136663106 1071012586 /nfs/dbraw/zinc/01/25/86/1071012586.db2.gz DNNOHVIJGWONTC-UHFFFAOYSA-N 1 1 423.539 -0.215 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)CC2)CC1 ZINC001136663203 1071013029 /nfs/dbraw/zinc/01/30/29/1071013029.db2.gz ILFHPKKZQGGXJI-UHFFFAOYSA-N 1 1 413.475 -0.402 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)Cn3cnc4sccc4c3=O)CC2)CC1 ZINC001136663326 1071013103 /nfs/dbraw/zinc/01/31/03/1071013103.db2.gz LUVVSLJBKOFJII-UHFFFAOYSA-N 1 1 404.496 -0.030 20 0 HBADMO CCC1(CC)NC(=O)N(CC(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC001136663441 1071012704 /nfs/dbraw/zinc/01/27/04/1071012704.db2.gz PEDWVUFCPASZFH-UHFFFAOYSA-N 1 1 408.503 -0.391 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CCn3cnc4c3ncnc4N)CC2)CC1 ZINC001136663819 1071013165 /nfs/dbraw/zinc/01/31/65/1071013165.db2.gz BUXZEUHLSHMRCS-UHFFFAOYSA-N 1 1 401.475 -0.690 20 0 HBADMO COCCOCCOCCCC(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136663859 1071012626 /nfs/dbraw/zinc/01/26/26/1071012626.db2.gz DHYBQTHGDIRWID-UHFFFAOYSA-N 1 1 400.520 -0.042 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CCc3nc(-c4nc[nH]n4)no3)CC2)CC1 ZINC001136663922 1071013061 /nfs/dbraw/zinc/01/30/61/1071013061.db2.gz GXYLBQCTVPTUHB-UHFFFAOYSA-N 1 1 403.447 -0.701 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)CC1 ZINC001136663937 1071012755 /nfs/dbraw/zinc/01/27/55/1071012755.db2.gz HZLKYVVRISRKCS-MSOLQXFVSA-N 1 1 409.531 -0.622 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cn(CC(=O)OC(C)(C)C)nn3)CC2)CC1 ZINC001136663991 1071012547 /nfs/dbraw/zinc/01/25/47/1071012547.db2.gz KFWHWDVJEUWBES-UHFFFAOYSA-N 1 1 421.502 -0.255 20 0 HBADMO Cn1nnc(Br)c1C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136663997 1071012991 /nfs/dbraw/zinc/01/29/91/1071012991.db2.gz KMMJKRLIHOBQEV-UHFFFAOYSA-N 1 1 400.281 -0.297 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cccc(CS(N)(=O)=O)c3)CC2)CC1 ZINC001136664020 1071012789 /nfs/dbraw/zinc/01/27/89/1071012789.db2.gz LIIRBVUOPACNLH-UHFFFAOYSA-N 1 1 409.512 -0.400 20 0 HBADMO CN1CC(=O)Nc2cc(C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)cnc21 ZINC001136664063 1071013202 /nfs/dbraw/zinc/01/32/02/1071013202.db2.gz NCUBOBRDDZEPRP-UHFFFAOYSA-N 1 1 401.471 -0.405 20 0 HBADMO Cn1nc2c(c1C(=O)N1CCN(C(=O)N3CC[NH+](C)CC3)CC1)CS(=O)(=O)CC2 ZINC001136664101 1071012913 /nfs/dbraw/zinc/01/29/13/1071012913.db2.gz OPPMQFNHEYVYFP-UHFFFAOYSA-N 1 1 424.527 -0.984 20 0 HBADMO Cc1c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)nnn1-c1cnn(C)c1 ZINC001136664124 1071012665 /nfs/dbraw/zinc/01/26/65/1071012665.db2.gz PICSFGXSGVRDMQ-UHFFFAOYSA-N 1 1 401.475 -0.566 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)CC1 ZINC001136664146 1071012953 /nfs/dbraw/zinc/01/29/53/1071012953.db2.gz QAHYBZISMRCTSJ-UHFFFAOYSA-N 1 1 415.498 -0.857 20 0 HBADMO Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001136664181 1071012823 /nfs/dbraw/zinc/01/28/23/1071012823.db2.gz RENUVBXSRHEAMM-UHFFFAOYSA-N 1 1 409.512 -0.232 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccc4c(c3)C(=O)NCCO4)CC2)CC1 ZINC001136664230 1071012853 /nfs/dbraw/zinc/01/28/53/1071012853.db2.gz STTQEQGWWXGXRE-UHFFFAOYSA-N 1 1 401.467 -0.066 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)CC2)CC1 ZINC001136664305 1071013702 /nfs/dbraw/zinc/01/37/02/1071013702.db2.gz WXDBLPSFMYFLRF-KRWDZBQOSA-N 1 1 414.510 -0.058 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)CC2)CC1 ZINC001136664306 1071013552 /nfs/dbraw/zinc/01/35/52/1071013552.db2.gz WXDBLPSFMYFLRF-QGZVFWFLSA-N 1 1 414.510 -0.058 20 0 HBADMO Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136664333 1071013670 /nfs/dbraw/zinc/01/36/70/1071013670.db2.gz XTZUKVRBODLKRC-FQEVSTJZSA-N 1 1 405.499 -0.581 20 0 HBADMO Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001136664334 1071013470 /nfs/dbraw/zinc/01/34/70/1071013470.db2.gz XTZUKVRBODLKRC-HXUWFJFHSA-N 1 1 405.499 -0.581 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC001136664346 1071013389 /nfs/dbraw/zinc/01/33/89/1071013389.db2.gz YDKMXSZLRAJDER-UHFFFAOYSA-N 1 1 401.533 -0.830 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)CC1 ZINC001136664349 1071013500 /nfs/dbraw/zinc/01/35/00/1071013500.db2.gz YLRPWNSEIQNRTC-UHFFFAOYSA-N 1 1 406.487 -0.734 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC001136669914 1071014775 /nfs/dbraw/zinc/01/47/75/1071014775.db2.gz UYWRUVVGSBPADX-ACJLOTCBSA-N 1 1 412.512 -0.115 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC001136669915 1071015023 /nfs/dbraw/zinc/01/50/23/1071015023.db2.gz UYWRUVVGSBPADX-FZKQIMNGSA-N 1 1 412.512 -0.115 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c1 ZINC001136669916 1071015155 /nfs/dbraw/zinc/01/51/55/1071015155.db2.gz UYWRUVVGSBPADX-SCLBCKFNSA-N 1 1 412.512 -0.115 20 0 HBADMO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c1 ZINC001136669917 1071014847 /nfs/dbraw/zinc/01/48/47/1071014847.db2.gz UYWRUVVGSBPADX-UGSOOPFHSA-N 1 1 412.512 -0.115 20 0 HBADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)CC1 ZINC001136695037 1071016078 /nfs/dbraw/zinc/01/60/78/1071016078.db2.gz JZTDJDKSKJZDHI-UHFFFAOYSA-N 1 1 404.515 -0.216 20 0 HBADMO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H]1c1nccn1C ZINC001136725785 1071017020 /nfs/dbraw/zinc/01/70/20/1071017020.db2.gz ASNUESBVDDJYEV-MNEFBYGVSA-N 1 1 418.542 -0.007 20 0 HBADMO CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H]1c1nccn1C ZINC001136725785 1071017001 /nfs/dbraw/zinc/01/70/01/1071017001.db2.gz ASNUESBVDDJYEV-MNEFBYGVSA-N 1 1 418.542 -0.007 20 0 HBADMO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)[C@H]1c1nccn1C ZINC001136725786 1071016711 /nfs/dbraw/zinc/01/67/11/1071016711.db2.gz ASNUESBVDDJYEV-SNRMKQJTSA-N 1 1 418.542 -0.007 20 0 HBADMO CCN1C(=O)CO[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)[C@H]1c1nccn1C ZINC001136725786 1071016695 /nfs/dbraw/zinc/01/66/95/1071016695.db2.gz ASNUESBVDDJYEV-SNRMKQJTSA-N 1 1 418.542 -0.007 20 0 HBADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC001136751527 1071017844 /nfs/dbraw/zinc/01/78/44/1071017844.db2.gz LORVVCASWWSGEY-APWZRJJASA-N 1 1 410.540 -0.306 20 0 HBADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC001136751528 1071017718 /nfs/dbraw/zinc/01/77/18/1071017718.db2.gz LORVVCASWWSGEY-LPHOPBHVSA-N 1 1 410.540 -0.306 20 0 HBADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC001136751529 1071017982 /nfs/dbraw/zinc/01/79/82/1071017982.db2.gz LORVVCASWWSGEY-QFBILLFUSA-N 1 1 410.540 -0.306 20 0 HBADMO CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC001136751530 1071018262 /nfs/dbraw/zinc/01/82/62/1071018262.db2.gz LORVVCASWWSGEY-VQIMIIECSA-N 1 1 410.540 -0.306 20 0 HBADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3nc(N)nc(N(C)C)n3)CC2)CC1 ZINC001136764588 1071018515 /nfs/dbraw/zinc/01/85/15/1071018515.db2.gz HEIQYZGCDABJHW-UHFFFAOYSA-N 1 1 404.519 -0.074 20 0 HBADMO CC[N@H+]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001136769672 1071018755 /nfs/dbraw/zinc/01/87/55/1071018755.db2.gz UDPFBJMVMZUALV-HNNXBMFYSA-N 1 1 408.480 -0.055 20 0 HBADMO CC[N@@H+]1CC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001136769672 1071018737 /nfs/dbraw/zinc/01/87/37/1071018737.db2.gz UDPFBJMVMZUALV-HNNXBMFYSA-N 1 1 408.480 -0.055 20 0 HBADMO CC[N@H+]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001136769673 1071018983 /nfs/dbraw/zinc/01/89/83/1071018983.db2.gz UDPFBJMVMZUALV-OAHLLOKOSA-N 1 1 408.480 -0.055 20 0 HBADMO CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001136769673 1071018964 /nfs/dbraw/zinc/01/89/64/1071018964.db2.gz UDPFBJMVMZUALV-OAHLLOKOSA-N 1 1 408.480 -0.055 20 0 HBADMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832649 1071020181 /nfs/dbraw/zinc/02/01/81/1071020181.db2.gz POQFSCYYODFRAW-BEFAXECRSA-N 1 1 409.508 -0.170 20 0 HBADMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832650 1071021113 /nfs/dbraw/zinc/02/11/13/1071021113.db2.gz POQFSCYYODFRAW-DNVCBOLYSA-N 1 1 409.508 -0.170 20 0 HBADMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832651 1071020672 /nfs/dbraw/zinc/02/06/72/1071020672.db2.gz POQFSCYYODFRAW-HNAYVOBHSA-N 1 1 409.508 -0.170 20 0 HBADMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136832652 1071020421 /nfs/dbraw/zinc/02/04/21/1071020421.db2.gz POQFSCYYODFRAW-KXBFYZLASA-N 1 1 409.508 -0.170 20 0 HBADMO CN1CC[N@@H+](C)CC(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)C1 ZINC001136852191 1071020756 /nfs/dbraw/zinc/02/07/56/1071020756.db2.gz UMGXNJBDRZFFEN-UHFFFAOYSA-N 1 1 402.561 -0.431 20 0 HBADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001136874322 1071021667 /nfs/dbraw/zinc/02/16/67/1071021667.db2.gz LFTLLGQPYUPPIT-PBHICJAKSA-N 1 1 423.539 -0.829 20 0 HBADMO C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001136874323 1071021321 /nfs/dbraw/zinc/02/13/21/1071021321.db2.gz LFTLLGQPYUPPIT-RHSMWYFYSA-N 1 1 423.539 -0.829 20 0 HBADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@H]1C[N@@H+](C)CCN1C ZINC001136874324 1071021260 /nfs/dbraw/zinc/02/12/60/1071021260.db2.gz LFTLLGQPYUPPIT-WMLDXEAASA-N 1 1 423.539 -0.829 20 0 HBADMO C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[C@@H]1C[N@@H+](C)CCN1C ZINC001136874325 1071021728 /nfs/dbraw/zinc/02/17/28/1071021728.db2.gz LFTLLGQPYUPPIT-YOEHRIQHSA-N 1 1 423.539 -0.829 20 0 HBADMO C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001136875017 1071021910 /nfs/dbraw/zinc/02/19/10/1071021910.db2.gz WDXICLIMMHYJFV-PBHICJAKSA-N 1 1 413.544 -0.590 20 0 HBADMO C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1C[N@@H+](C)CCN1C ZINC001136875018 1071021379 /nfs/dbraw/zinc/02/13/79/1071021379.db2.gz WDXICLIMMHYJFV-RHSMWYFYSA-N 1 1 413.544 -0.590 20 0 HBADMO C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@H]1C[N@@H+](C)CCN1C ZINC001136875019 1071021612 /nfs/dbraw/zinc/02/16/12/1071021612.db2.gz WDXICLIMMHYJFV-WMLDXEAASA-N 1 1 413.544 -0.590 20 0 HBADMO C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)[C@@H]1C[N@@H+](C)CCN1C ZINC001136875020 1071022360 /nfs/dbraw/zinc/02/23/60/1071022360.db2.gz WDXICLIMMHYJFV-YOEHRIQHSA-N 1 1 413.544 -0.590 20 0 HBADMO O=C(CC[C@@H]1NC(=O)NC1=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136924927 1071023469 /nfs/dbraw/zinc/02/34/69/1071023469.db2.gz BYQXZHYPVZUTGR-HNNXBMFYSA-N 1 1 409.487 -0.948 20 0 HBADMO O=C(CC[C@H]1NC(=O)NC1=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136924928 1071023352 /nfs/dbraw/zinc/02/33/52/1071023352.db2.gz BYQXZHYPVZUTGR-OAHLLOKOSA-N 1 1 409.487 -0.948 20 0 HBADMO CC(=O)c1cn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)nn1 ZINC001136924948 1071023243 /nfs/dbraw/zinc/02/32/43/1071023243.db2.gz CVKQXLYEUHHSSM-UHFFFAOYSA-N 1 1 406.487 -0.442 20 0 HBADMO Cn1cnnc1COCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136925081 1071023549 /nfs/dbraw/zinc/02/35/49/1071023549.db2.gz IUYMAXGOISSMFI-UHFFFAOYSA-N 1 1 408.503 -0.591 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001136925110 1071023154 /nfs/dbraw/zinc/02/31/54/1071023154.db2.gz JSDTZMJSZIGOET-INIZCTEOSA-N 1 1 401.529 -0.502 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001136925111 1071023486 /nfs/dbraw/zinc/02/34/86/1071023486.db2.gz JSDTZMJSZIGOET-MRXNPFEDSA-N 1 1 401.529 -0.502 20 0 HBADMO NC(=O)Cc1occc1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136925268 1071023513 /nfs/dbraw/zinc/02/35/13/1071023513.db2.gz RMSPPKPGNBRNFU-UHFFFAOYSA-N 1 1 406.483 -0.002 20 0 HBADMO O=C(/C=C/CN1CCOCC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136925394 1071023280 /nfs/dbraw/zinc/02/32/80/1071023280.db2.gz WOYSDUMTLSWHMW-HNQUOIGGSA-N 1 1 408.543 -0.048 20 0 HBADMO O=C(/C=C\CN1CCOCC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136925395 1071023429 /nfs/dbraw/zinc/02/34/29/1071023429.db2.gz WOYSDUMTLSWHMW-IWQZZHSRSA-N 1 1 408.543 -0.048 20 0 HBADMO O=C(CNC(=O)N1CCCC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001136925417 1071023529 /nfs/dbraw/zinc/02/35/29/1071023529.db2.gz XOGWLUPYCQVCMV-UHFFFAOYSA-N 1 1 409.531 -0.131 20 0 HBADMO CC(C)c1[nH+]ccn1CC(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001136949566 1071026118 /nfs/dbraw/zinc/02/61/18/1071026118.db2.gz YJCRAYMOQDJBGH-HNNXBMFYSA-N 1 1 411.528 -0.546 20 0 HBADMO CC(C)c1[nH+]ccn1CC(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001136949567 1071026724 /nfs/dbraw/zinc/02/67/24/1071026724.db2.gz YJCRAYMOQDJBGH-OAHLLOKOSA-N 1 1 411.528 -0.546 20 0 HBADMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC001137151542 1071891346 /nfs/dbraw/zinc/89/13/46/1071891346.db2.gz OORHOVPVRWMLBH-CYBMUJFWSA-N 1 1 402.473 -0.515 20 0 HBADMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC001137151542 1071891334 /nfs/dbraw/zinc/89/13/34/1071891334.db2.gz OORHOVPVRWMLBH-CYBMUJFWSA-N 1 1 402.473 -0.515 20 0 HBADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC001137151543 1071891159 /nfs/dbraw/zinc/89/11/59/1071891159.db2.gz OORHOVPVRWMLBH-ZDUSSCGKSA-N 1 1 402.473 -0.515 20 0 HBADMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC001137151543 1071891146 /nfs/dbraw/zinc/89/11/46/1071891146.db2.gz OORHOVPVRWMLBH-ZDUSSCGKSA-N 1 1 402.473 -0.515 20 0 HBADMO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001137189258 1071895540 /nfs/dbraw/zinc/89/55/40/1071895540.db2.gz LVYNRJTWDNVZJC-MCIONIFRSA-N 1 1 407.533 -0.162 20 0 HBADMO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001137189259 1071895809 /nfs/dbraw/zinc/89/58/09/1071895809.db2.gz LVYNRJTWDNVZJC-RDBSUJKOSA-N 1 1 407.533 -0.162 20 0 HBADMO Cc1sc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001137189439 1071895729 /nfs/dbraw/zinc/89/57/29/1071895729.db2.gz RLRWAGFTANMFJA-LLVKDONJSA-N 1 1 409.555 -0.105 20 0 HBADMO Cc1sc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001137189440 1071895623 /nfs/dbraw/zinc/89/56/23/1071895623.db2.gz RLRWAGFTANMFJA-NSHDSACASA-N 1 1 409.555 -0.105 20 0 HBADMO CN(C)S(=O)(=O)N(C)CC(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC001137232760 1071907235 /nfs/dbraw/zinc/90/72/35/1071907235.db2.gz DLIVTYGQSVCXIB-UHFFFAOYSA-N 1 1 411.528 -0.320 20 0 HBADMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001142587939 1070090229 /nfs/dbraw/zinc/09/02/29/1070090229.db2.gz IQTOJIWBJRJBEB-DEORAPPZSA-N 1 1 400.497 -0.143 20 0 HBADMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001142587940 1070090339 /nfs/dbraw/zinc/09/03/39/1070090339.db2.gz IQTOJIWBJRJBEB-QSGXVVIFSA-N 1 1 400.497 -0.143 20 0 HBADMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001142587941 1070090056 /nfs/dbraw/zinc/09/00/56/1070090056.db2.gz IQTOJIWBJRJBEB-WJNMYVKJSA-N 1 1 400.497 -0.143 20 0 HBADMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001142587942 1070089919 /nfs/dbraw/zinc/08/99/19/1070089919.db2.gz IQTOJIWBJRJBEB-XNJHUCFUSA-N 1 1 400.497 -0.143 20 0 HBADMO NS(=O)(=O)N1CCC[C@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001142612934 1070145034 /nfs/dbraw/zinc/14/50/34/1070145034.db2.gz HKTBQVRCROFGBD-INIZCTEOSA-N 1 1 410.544 -0.375 20 0 HBADMO NS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001142612935 1070145144 /nfs/dbraw/zinc/14/51/44/1070145144.db2.gz HKTBQVRCROFGBD-MRXNPFEDSA-N 1 1 410.544 -0.375 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)C2 ZINC001143667378 1071032622 /nfs/dbraw/zinc/03/26/22/1071032622.db2.gz ZVOKGSJMXQASJX-CUWPLCDZSA-N 1 1 400.479 -0.429 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1)C2 ZINC001143667379 1071032419 /nfs/dbraw/zinc/03/24/19/1071032419.db2.gz ZVOKGSJMXQASJX-DSKINZAPSA-N 1 1 400.479 -0.429 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)C2 ZINC001143667380 1071032366 /nfs/dbraw/zinc/03/23/66/1071032366.db2.gz ZVOKGSJMXQASJX-LMNJBCLMSA-N 1 1 400.479 -0.429 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1)C2 ZINC001143667381 1071032533 /nfs/dbraw/zinc/03/25/33/1071032533.db2.gz ZVOKGSJMXQASJX-QFUCXCTJSA-N 1 1 400.479 -0.429 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143680830 1071033026 /nfs/dbraw/zinc/03/30/26/1071033026.db2.gz KMFXOWRYQQSPGX-IRFCIJBXSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143680830 1071033021 /nfs/dbraw/zinc/03/30/21/1071033021.db2.gz KMFXOWRYQQSPGX-IRFCIJBXSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143680832 1071033166 /nfs/dbraw/zinc/03/31/66/1071033166.db2.gz KMFXOWRYQQSPGX-QKNQBKEWSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143680832 1071033156 /nfs/dbraw/zinc/03/31/56/1071033156.db2.gz KMFXOWRYQQSPGX-QKNQBKEWSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1[C@@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143680834 1071032936 /nfs/dbraw/zinc/03/29/36/1071032936.db2.gz KMFXOWRYQQSPGX-ZJOUEHCJSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143680834 1071032934 /nfs/dbraw/zinc/03/29/34/1071032934.db2.gz KMFXOWRYQQSPGX-ZJOUEHCJSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1 ZINC001143680970 1071033134 /nfs/dbraw/zinc/03/31/34/1071033134.db2.gz KMFXOWRYQQSPGX-ZVDOUQERSA-N 1 1 424.501 -0.049 20 0 HBADMO NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1 ZINC001143680970 1071033121 /nfs/dbraw/zinc/03/31/21/1071033121.db2.gz KMFXOWRYQQSPGX-ZVDOUQERSA-N 1 1 424.501 -0.049 20 0 HBADMO COC(=O)c1cnn(CC(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c1 ZINC001144084539 1071039186 /nfs/dbraw/zinc/03/91/86/1071039186.db2.gz IBLDTYJXHUERTO-UHFFFAOYSA-N 1 1 420.514 -0.634 20 0 HBADMO CN(C(=O)C1=CS(=O)(=O)CCC1)C1CCN(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144084542 1071039395 /nfs/dbraw/zinc/03/93/95/1071039395.db2.gz ICTRCROQNHJPTP-UHFFFAOYSA-N 1 1 412.556 -0.224 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC001144084723 1071039246 /nfs/dbraw/zinc/03/92/46/1071039246.db2.gz KTPIWKONJOYZKV-KRWDZBQOSA-N 1 1 406.483 -0.058 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 ZINC001144084725 1071039453 /nfs/dbraw/zinc/03/94/53/1071039453.db2.gz KTPIWKONJOYZKV-QGZVFWFLSA-N 1 1 406.483 -0.058 20 0 HBADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC001144084992 1071039421 /nfs/dbraw/zinc/03/94/21/1071039421.db2.gz NXSQFJMCOIQJIP-UHFFFAOYSA-N 1 1 400.476 -0.227 20 0 HBADMO Cc1cnc2nc(C(=O)N(C)C3CC[NH+](CC(=O)N4CCN(C)CC4)CC3)nn2c1 ZINC001144085026 1071039111 /nfs/dbraw/zinc/03/91/11/1071039111.db2.gz OWEMYXOTLTWPHV-UHFFFAOYSA-N 1 1 414.514 -0.257 20 0 HBADMO CN(C(=O)c1ccc2n[nH]nc2n1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001144085387 1071039171 /nfs/dbraw/zinc/03/91/71/1071039171.db2.gz UKNARVXFSMHHKK-UHFFFAOYSA-N 1 1 400.487 -0.337 20 0 HBADMO CC[C@H](O)Cn1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)nn1 ZINC001144085436 1071039358 /nfs/dbraw/zinc/03/93/58/1071039358.db2.gz WBWJVWGPXANYNR-KRWDZBQOSA-N 1 1 421.546 -0.641 20 0 HBADMO CC[C@@H](O)Cn1cc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)nn1 ZINC001144085437 1071039123 /nfs/dbraw/zinc/03/91/23/1071039123.db2.gz WBWJVWGPXANYNR-QGZVFWFLSA-N 1 1 421.546 -0.641 20 0 HBADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001144189464 1071041499 /nfs/dbraw/zinc/04/14/99/1071041499.db2.gz CFISYRJUCQFWHR-DZGCQCFKSA-N 1 1 418.585 -0.082 20 0 HBADMO C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001144189465 1071041605 /nfs/dbraw/zinc/04/16/05/1071041605.db2.gz CFISYRJUCQFWHR-HIFRSBDPSA-N 1 1 418.585 -0.082 20 0 HBADMO C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001144189466 1071041700 /nfs/dbraw/zinc/04/17/00/1071041700.db2.gz CFISYRJUCQFWHR-UKRRQHHQSA-N 1 1 418.585 -0.082 20 0 HBADMO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCC(C)(C)[NH+]1CCN(C)CC1 ZINC001144189467 1071041543 /nfs/dbraw/zinc/04/15/43/1071041543.db2.gz CFISYRJUCQFWHR-ZFWWWQNUSA-N 1 1 418.585 -0.082 20 0 HBADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001144203799 1071042774 /nfs/dbraw/zinc/04/27/74/1071042774.db2.gz DROBKVIJTVZSDT-KZNAEPCWSA-N 1 1 406.531 -0.605 20 0 HBADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1c1cnn(C)c1 ZINC001144203799 1071042770 /nfs/dbraw/zinc/04/27/70/1071042770.db2.gz DROBKVIJTVZSDT-KZNAEPCWSA-N 1 1 406.531 -0.605 20 0 HBADMO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)CN1CC[NH+](C)CC1 ZINC001144209503 1071042271 /nfs/dbraw/zinc/04/22/71/1071042271.db2.gz IRDDLFHOIFLNPX-CVEARBPZSA-N 1 1 412.556 -0.041 20 0 HBADMO C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)CN1CC[NH+](C)CC1 ZINC001144209504 1071042215 /nfs/dbraw/zinc/04/22/15/1071042215.db2.gz IRDDLFHOIFLNPX-HOTGVXAUSA-N 1 1 412.556 -0.041 20 0 HBADMO C[C@H](CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)CN1CC[NH+](C)CC1 ZINC001144209505 1071042015 /nfs/dbraw/zinc/04/20/15/1071042015.db2.gz IRDDLFHOIFLNPX-HZPDHXFCSA-N 1 1 412.556 -0.041 20 0 HBADMO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC001144209506 1071042166 /nfs/dbraw/zinc/04/21/66/1071042166.db2.gz IRDDLFHOIFLNPX-JKSUJKDBSA-N 1 1 412.556 -0.041 20 0 HBADMO C[C@H](CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)CN1CC[NH+](C)CC1 ZINC001144210111 1071042144 /nfs/dbraw/zinc/04/21/44/1071042144.db2.gz NVECYILSKNTAKU-FMKPAKJESA-N 1 1 418.585 -0.225 20 0 HBADMO C[C@H](CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)CN1CC[NH+](C)CC1 ZINC001144210112 1071042000 /nfs/dbraw/zinc/04/20/00/1071042000.db2.gz NVECYILSKNTAKU-IIAWOOMASA-N 1 1 418.585 -0.225 20 0 HBADMO C[C@H](CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)CN1CC[NH+](C)CC1 ZINC001144210113 1071042311 /nfs/dbraw/zinc/04/23/11/1071042311.db2.gz NVECYILSKNTAKU-IJEWVQPXSA-N 1 1 418.585 -0.225 20 0 HBADMO C[C@H](CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)CN1CC[NH+](C)CC1 ZINC001144210114 1071042192 /nfs/dbraw/zinc/04/21/92/1071042192.db2.gz NVECYILSKNTAKU-YCPHGPKFSA-N 1 1 418.585 -0.225 20 0 HBADMO C[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)CN1CC[NH+](C)CC1 ZINC001144210126 1071042242 /nfs/dbraw/zinc/04/22/42/1071042242.db2.gz NZXSNBXONHJJLK-PBHICJAKSA-N 1 1 407.490 -0.201 20 0 HBADMO C[C@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)CN1CC[NH+](C)CC1 ZINC001144210127 1071042044 /nfs/dbraw/zinc/04/20/44/1071042044.db2.gz NZXSNBXONHJJLK-RHSMWYFYSA-N 1 1 407.490 -0.201 20 0 HBADMO C[C@@H](CNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)CN1CC[NH+](C)CC1 ZINC001144210128 1071042360 /nfs/dbraw/zinc/04/23/60/1071042360.db2.gz NZXSNBXONHJJLK-WMLDXEAASA-N 1 1 407.490 -0.201 20 0 HBADMO C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)CN1CC[NH+](C)CC1 ZINC001144210129 1071042100 /nfs/dbraw/zinc/04/21/00/1071042100.db2.gz NZXSNBXONHJJLK-YOEHRIQHSA-N 1 1 407.490 -0.201 20 0 HBADMO COCCn1cc(N2C[C@H](C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2=O)cn1 ZINC001144210448 1071042077 /nfs/dbraw/zinc/04/20/77/1071042077.db2.gz UWWFRQDTBLTRRB-DLBZAZTESA-N 1 1 406.531 -0.118 20 0 HBADMO COCCn1cc(N2C[C@H](C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2=O)cn1 ZINC001144210449 1071042409 /nfs/dbraw/zinc/04/24/09/1071042409.db2.gz UWWFRQDTBLTRRB-IAGOWNOFSA-N 1 1 406.531 -0.118 20 0 HBADMO COCCn1cc(N2C[C@@H](C(=O)NC[C@H](C)CN3CC[NH+](C)CC3)CC2=O)cn1 ZINC001144210450 1071042385 /nfs/dbraw/zinc/04/23/85/1071042385.db2.gz UWWFRQDTBLTRRB-IRXDYDNUSA-N 1 1 406.531 -0.118 20 0 HBADMO COCCn1cc(N2C[C@@H](C(=O)NC[C@@H](C)CN3CC[NH+](C)CC3)CC2=O)cn1 ZINC001144210451 1071042124 /nfs/dbraw/zinc/04/21/24/1071042124.db2.gz UWWFRQDTBLTRRB-SJORKVTESA-N 1 1 406.531 -0.118 20 0 HBADMO Cn1cc([C@@H]2[C@@H](C(=O)NCC3CCN(CC[NH+](C)C)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001144221084 1071043455 /nfs/dbraw/zinc/04/34/55/1071043455.db2.gz WCKUFKSZXASOMG-KZNAEPCWSA-N 1 1 406.531 -0.700 20 0 HBADMO Cn1cnnc1N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001144237904 1071042812 /nfs/dbraw/zinc/04/28/12/1071042812.db2.gz ZXVDVMNBUAKCNF-INIZCTEOSA-N 1 1 405.503 -0.823 20 0 HBADMO Cn1cnnc1N1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001144237906 1071043345 /nfs/dbraw/zinc/04/33/45/1071043345.db2.gz ZXVDVMNBUAKCNF-MRXNPFEDSA-N 1 1 405.503 -0.823 20 0 HBADMO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001144246360 1071043368 /nfs/dbraw/zinc/04/33/68/1071043368.db2.gz HUTIAHJJWKGMEP-UONOGXRCSA-N 1 1 411.480 -0.596 20 0 HBADMO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC001144246563 1071043309 /nfs/dbraw/zinc/04/33/09/1071043309.db2.gz JMVWFGSGZWUOKQ-JKSUJKDBSA-N 1 1 410.496 -0.457 20 0 HBADMO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001144246565 1071043471 /nfs/dbraw/zinc/04/34/71/1071043471.db2.gz JOXOWQAEUYNFGX-HWMZRRJGSA-N 1 1 413.471 -0.773 20 0 HBADMO NS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001144246819 1071043509 /nfs/dbraw/zinc/04/35/09/1071043509.db2.gz VXUDVEWHFGLLIL-VHSXEESVSA-N 1 1 404.286 -0.013 20 0 HBADMO COCCN1C(=O)c2ccc(C(=O)N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2S1(=O)=O ZINC001144246984 1071043408 /nfs/dbraw/zinc/04/34/08/1071043408.db2.gz ZUCQHHVBSMCGDB-UONOGXRCSA-N 1 1 409.464 -0.632 20 0 HBADMO O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001144325505 1071045810 /nfs/dbraw/zinc/04/58/10/1071045810.db2.gz CUAVVSCJARTMIO-UGUYLWEFSA-N 1 1 401.471 -0.422 20 0 HBADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1 ZINC001144333675 1071045330 /nfs/dbraw/zinc/04/53/30/1071045330.db2.gz LNBWRKVAXDEHIJ-HNNXBMFYSA-N 1 1 402.455 -0.567 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001144349515 1071046357 /nfs/dbraw/zinc/04/63/57/1071046357.db2.gz AUNVSCHLMKRUAM-AWEZNQCLSA-N 1 1 404.558 -0.582 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC001144349516 1071046410 /nfs/dbraw/zinc/04/64/10/1071046410.db2.gz AUNVSCHLMKRUAM-CQSZACIVSA-N 1 1 404.558 -0.582 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)CC1 ZINC001144349911 1071046276 /nfs/dbraw/zinc/04/62/76/1071046276.db2.gz IUSUOCRCNCINMK-HOTGVXAUSA-N 1 1 405.499 -0.327 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)CC1 ZINC001144349912 1071046241 /nfs/dbraw/zinc/04/62/41/1071046241.db2.gz IUSUOCRCNCINMK-HZPDHXFCSA-N 1 1 405.499 -0.327 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)CC2)CC1 ZINC001144349913 1071046336 /nfs/dbraw/zinc/04/63/36/1071046336.db2.gz IUSUOCRCNCINMK-IYBDPMFKSA-N 1 1 405.499 -0.327 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)CC1 ZINC001144350145 1071046751 /nfs/dbraw/zinc/04/67/51/1071046751.db2.gz OGNFOIYJWFFBJU-UHFFFAOYSA-N 1 1 405.474 -0.004 20 0 HBADMO CCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001144350475 1071046725 /nfs/dbraw/zinc/04/67/25/1071046725.db2.gz TYMXMJSQPFXUTJ-UHFFFAOYSA-N 1 1 415.560 -0.440 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3c4ccccc4OCC3=O)CC2)CC1 ZINC001144350730 1071046793 /nfs/dbraw/zinc/04/67/93/1071046793.db2.gz YWBBOBZXNAKVHB-UHFFFAOYSA-N 1 1 401.467 -0.076 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)CN3CCN(c4ccccn4)CC3)CC2)CC1 ZINC001144359394 1071046830 /nfs/dbraw/zinc/04/68/30/1071046830.db2.gz PUQDGZNPBOVRSR-UHFFFAOYSA-N 1 1 415.542 -0.285 20 0 HBADMO C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001144359586 1071046845 /nfs/dbraw/zinc/04/68/45/1071046845.db2.gz SRNYXQCBLKHLGP-DOTOQJQBSA-N 1 1 409.531 -0.446 20 0 HBADMO C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001144359587 1071046709 /nfs/dbraw/zinc/04/67/09/1071046709.db2.gz SRNYXQCBLKHLGP-NVXWUHKLSA-N 1 1 409.531 -0.446 20 0 HBADMO C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001144359588 1071046859 /nfs/dbraw/zinc/04/68/59/1071046859.db2.gz SRNYXQCBLKHLGP-RDJZCZTQSA-N 1 1 409.531 -0.446 20 0 HBADMO C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001144359589 1071047263 /nfs/dbraw/zinc/04/72/63/1071047263.db2.gz SRNYXQCBLKHLGP-WBVHZDCISA-N 1 1 409.531 -0.446 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC001144359621 1071047276 /nfs/dbraw/zinc/04/72/76/1071047276.db2.gz URTMXPSZCTWNLX-FXAWDEMLSA-N 1 1 424.567 -0.127 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)cc1 ZINC001144359622 1071047229 /nfs/dbraw/zinc/04/72/29/1071047229.db2.gz URTMXPSZCTWNLX-PXNSSMCTSA-N 1 1 424.567 -0.127 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cc1 ZINC001144359623 1071047338 /nfs/dbraw/zinc/04/73/38/1071047338.db2.gz URTMXPSZCTWNLX-XLIONFOSSA-N 1 1 424.567 -0.127 20 0 HBADMO Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)CC2)cc1 ZINC001144359624 1071047366 /nfs/dbraw/zinc/04/73/66/1071047366.db2.gz URTMXPSZCTWNLX-YLJYHZDGSA-N 1 1 424.567 -0.127 20 0 HBADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)c3ccnc(N4CCOCC4)n3)CC2)CC1 ZINC001144359824 1071047248 /nfs/dbraw/zinc/04/72/48/1071047248.db2.gz YSXVESRWHUTGSO-UHFFFAOYSA-N 1 1 403.487 -0.562 20 0 HBADMO Cn1c(=O)c2cc(C(=O)N[C@@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)cnc2n(C)c1=O ZINC001144481276 1071049117 /nfs/dbraw/zinc/04/91/17/1071049117.db2.gz DFWHZJLQXMEWME-CABCVRRESA-N 1 1 401.467 -0.139 20 0 HBADMO Cn1c(=O)c2cc(C(=O)N[C@H]3C[C@H]([NH+]4CCOCC4)C3(C)C)cnc2n(C)c1=O ZINC001144481277 1071049309 /nfs/dbraw/zinc/04/93/09/1071049309.db2.gz DFWHZJLQXMEWME-GJZGRUSLSA-N 1 1 401.467 -0.139 20 0 HBADMO Cn1c(=O)c2cc(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)cnc2n(C)c1=O ZINC001144481278 1071049075 /nfs/dbraw/zinc/04/90/75/1071049075.db2.gz DFWHZJLQXMEWME-HUUCEWRRSA-N 1 1 401.467 -0.139 20 0 HBADMO Cn1c(=O)c2cc(C(=O)N[C@H]3C[C@@H]([NH+]4CCOCC4)C3(C)C)cnc2n(C)c1=O ZINC001144481279 1071049224 /nfs/dbraw/zinc/04/92/24/1071049224.db2.gz DFWHZJLQXMEWME-LSDHHAIUSA-N 1 1 401.467 -0.139 20 0 HBADMO CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC001144483610 1071049182 /nfs/dbraw/zinc/04/91/82/1071049182.db2.gz VTCRWPMCJBJELT-FPCVCCKLSA-N 1 1 413.540 -0.363 20 0 HBADMO CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)C[C@H]1[NH+]1CCOCC1 ZINC001144483611 1071049278 /nfs/dbraw/zinc/04/92/78/1071049278.db2.gz VTCRWPMCJBJELT-KLHDSHLOSA-N 1 1 413.540 -0.363 20 0 HBADMO CC1(C)[C@H](NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)C[C@H]1[NH+]1CCOCC1 ZINC001144483612 1071049657 /nfs/dbraw/zinc/04/96/57/1071049657.db2.gz VTCRWPMCJBJELT-QKPAOTATSA-N 1 1 413.540 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SQWPDYDSJZGGNF-ZBFHGGJFSA-N 1 1 419.482 -0.083 20 0 HBADMO COCC[NH+](CCOC)C1CN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)C1 ZINC001144528668 1071049500 /nfs/dbraw/zinc/04/95/00/1071049500.db2.gz ZAWQQMZYAIVEIP-UHFFFAOYSA-N 1 1 401.485 -0.238 20 0 HBADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)CCCS(N)(=O)=O)C3)O2)CC1 ZINC001144589599 1071051090 /nfs/dbraw/zinc/05/10/90/1071051090.db2.gz PXYBZUFEWPSOBJ-SJLPKXTDSA-N 1 1 402.561 -0.157 20 0 HBADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)CCCS(N)(=O)=O)cc1 ZINC001144593556 1071051715 /nfs/dbraw/zinc/05/17/15/1071051715.db2.gz AZZUVVNYDVDTSU-UHFFFAOYSA-N 1 1 411.528 -0.096 20 0 HBADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Cn3ncn4nccc4c3=O)CC2)CC1 ZINC001144672097 1071052956 /nfs/dbraw/zinc/05/29/56/1071052956.db2.gz BUJQLOHCLFZDDA-UHFFFAOYSA-N 1 1 401.471 -0.706 20 0 HBADMO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144679675 1071053628 /nfs/dbraw/zinc/05/36/28/1071053628.db2.gz UZAGGRQCRFXYSB-KRWDZBQOSA-N 1 1 423.558 -0.205 20 0 HBADMO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC001144679676 1071053556 /nfs/dbraw/zinc/05/35/56/1071053556.db2.gz UZAGGRQCRFXYSB-QGZVFWFLSA-N 1 1 423.558 -0.205 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CCSC)NC(C)=O)C2)C1 ZINC001144858050 1071057082 /nfs/dbraw/zinc/05/70/82/1071057082.db2.gz YLFNWTWVGIOIAD-LPHOPBHVSA-N 1 1 414.572 -0.069 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](CCSC)NC(C)=O)C2)C1 ZINC001144858050 1071057072 /nfs/dbraw/zinc/05/70/72/1071057072.db2.gz YLFNWTWVGIOIAD-LPHOPBHVSA-N 1 1 414.572 -0.069 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CCSC)NC(C)=O)C2)C1 ZINC001144858056 1071056919 /nfs/dbraw/zinc/05/69/19/1071056919.db2.gz YLFNWTWVGIOIAD-QFBILLFUSA-N 1 1 414.572 -0.069 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H](CCSC)NC(C)=O)C2)C1 ZINC001144858056 1071056912 /nfs/dbraw/zinc/05/69/12/1071056912.db2.gz YLFNWTWVGIOIAD-QFBILLFUSA-N 1 1 414.572 -0.069 20 0 HBADMO O=C(C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144899072 1071059298 /nfs/dbraw/zinc/05/92/98/1071059298.db2.gz FHUPLTZBJNWSDD-BPQIPLTHSA-N 1 1 415.402 -0.836 20 0 HBADMO O=C(C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144899073 1071059396 /nfs/dbraw/zinc/05/93/96/1071059396.db2.gz FHUPLTZBJNWSDD-CGTJXYLNSA-N 1 1 415.402 -0.836 20 0 HBADMO O=C(C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144899074 1071059428 /nfs/dbraw/zinc/05/94/28/1071059428.db2.gz FHUPLTZBJNWSDD-KBAYOESNSA-N 1 1 415.402 -0.836 20 0 HBADMO O=C(C(=O)N1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899075 1071059268 /nfs/dbraw/zinc/05/92/68/1071059268.db2.gz FHUPLTZBJNWSDD-RYQLBKOJSA-N 1 1 415.402 -0.836 20 0 HBADMO O=C(C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144899536 1071059158 /nfs/dbraw/zinc/05/91/58/1071059158.db2.gz LAZNMHLRCFRMCB-CADBVGFASA-N 1 1 406.479 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LXMWSIJGVUBREC-NXWXRZEISA-N 1 1 424.494 -0.848 20 0 HBADMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144899609 1071059807 /nfs/dbraw/zinc/05/98/07/1071059807.db2.gz LXMWSIJGVUBREC-OQIJWPOYSA-N 1 1 424.494 -0.848 20 0 HBADMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1 ZINC001144899609 1071059802 /nfs/dbraw/zinc/05/98/02/1071059802.db2.gz LXMWSIJGVUBREC-OQIJWPOYSA-N 1 1 424.494 -0.848 20 0 HBADMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1 ZINC001144899610 1071059852 /nfs/dbraw/zinc/05/98/52/1071059852.db2.gz LXMWSIJGVUBREC-QXCFHYIPSA-N 1 1 424.494 -0.848 20 0 HBADMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cc1 ZINC001144899610 1071059845 /nfs/dbraw/zinc/05/98/45/1071059845.db2.gz LXMWSIJGVUBREC-QXCFHYIPSA-N 1 1 424.494 -0.848 20 0 HBADMO COc1ccc(C[N@H+]2CCCC[C@@H]2CN(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 ZINC001144899611 1071059930 /nfs/dbraw/zinc/05/99/30/1071059930.db2.gz LXMWSIJGVUBREC-XGXHKWSGSA-N 1 1 424.494 -0.848 20 0 HBADMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CN(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cc1 ZINC001144899611 1071059921 /nfs/dbraw/zinc/05/99/21/1071059921.db2.gz LXMWSIJGVUBREC-XGXHKWSGSA-N 1 1 424.494 -0.848 20 0 HBADMO O=C(C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144900689 1071060475 /nfs/dbraw/zinc/06/04/75/1071060475.db2.gz UIZQVGBOUBVWGF-BRWVUGGUSA-N 1 1 423.853 -0.819 20 0 HBADMO O=C(C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144900692 1071060621 /nfs/dbraw/zinc/06/06/21/1071060621.db2.gz UIZQVGBOUBVWGF-GVDBMIGSSA-N 1 1 423.853 -0.819 20 0 HBADMO O=C(C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144900694 1071060514 /nfs/dbraw/zinc/06/05/14/1071060514.db2.gz UIZQVGBOUBVWGF-IXDOHACOSA-N 1 1 423.853 -0.819 20 0 HBADMO O=C(C(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144900695 1071060661 /nfs/dbraw/zinc/06/06/61/1071060661.db2.gz UIZQVGBOUBVWGF-YESZJQIVSA-N 1 1 423.853 -0.819 20 0 HBADMO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901102 1071061127 /nfs/dbraw/zinc/06/11/27/1071061127.db2.gz YRGVDWQJAZOVTM-FKMNWLKXSA-N 1 1 408.495 -0.948 20 0 HBADMO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901103 1071061111 /nfs/dbraw/zinc/06/11/11/1071061111.db2.gz YRGVDWQJAZOVTM-GOKFXCSCSA-N 1 1 408.495 -0.948 20 0 HBADMO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901104 1071061080 /nfs/dbraw/zinc/06/10/80/1071061080.db2.gz YRGVDWQJAZOVTM-UTNGTADYSA-N 1 1 408.495 -0.948 20 0 HBADMO O=C(C(=O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901105 1071061152 /nfs/dbraw/zinc/06/11/52/1071061152.db2.gz YRGVDWQJAZOVTM-XTZSBGGHSA-N 1 1 408.495 -0.948 20 0 HBADMO C[N@@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2[C@@H](c2ccccc2)C1 ZINC001144901690 1071062622 /nfs/dbraw/zinc/06/26/22/1071062622.db2.gz FNNCVEFVNZONLJ-HUYLIWGRSA-N 1 1 414.458 -0.154 20 0 HBADMO C[N@@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2[C@H](c2ccccc2)C1 ZINC001144901691 1071062309 /nfs/dbraw/zinc/06/23/09/1071062309.db2.gz FNNCVEFVNZONLJ-KCUHQSDYSA-N 1 1 414.458 -0.154 20 0 HBADMO C[N@@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cccc2[C@@H](c2ccccc2)C1 ZINC001144901692 1071062458 /nfs/dbraw/zinc/06/24/58/1071062458.db2.gz FNNCVEFVNZONLJ-XWPNQZOQSA-N 1 1 414.458 -0.154 20 0 HBADMO C[N@@H+]1Cc2c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cccc2[C@H](c2ccccc2)C1 ZINC001144901693 1071062729 /nfs/dbraw/zinc/06/27/29/1071062729.db2.gz FNNCVEFVNZONLJ-YGWPLHOASA-N 1 1 414.458 -0.154 20 0 HBADMO O=C(C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907402 1071064595 /nfs/dbraw/zinc/06/45/95/1071064595.db2.gz VRVROQJDDSDWFF-FVVUREQNSA-N 1 1 406.479 -0.999 20 0 HBADMO O=C(C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907406 1071064629 /nfs/dbraw/zinc/06/46/29/1071064629.db2.gz VRVROQJDDSDWFF-IEWDOMPSSA-N 1 1 406.479 -0.999 20 0 HBADMO O=C(C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907407 1071064739 /nfs/dbraw/zinc/06/47/39/1071064739.db2.gz VRVROQJDDSDWFF-UJWQCDCRSA-N 1 1 406.479 -0.999 20 0 HBADMO O=C(C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907408 1071064613 /nfs/dbraw/zinc/06/46/13/1071064613.db2.gz VRVROQJDDSDWFF-ZSXDVEMLSA-N 1 1 406.479 -0.999 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC([N@H+]4CC[C@@H](O)C4)C3)CC2)cn1C ZINC001144918357 1071066718 /nfs/dbraw/zinc/06/67/18/1071066718.db2.gz FURHIBLUDJCPGK-MRXNPFEDSA-N 1 1 411.528 -0.593 20 0 HBADMO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC([N@@H+]4CC[C@@H](O)C4)C3)CC2)cn1C ZINC001144918357 1071066704 /nfs/dbraw/zinc/06/67/04/1071066704.db2.gz FURHIBLUDJCPGK-MRXNPFEDSA-N 1 1 411.528 -0.593 20 0 HBADMO CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001145062259 1071071134 /nfs/dbraw/zinc/07/11/34/1071071134.db2.gz ARNOYRBXXJNMGK-HNNXBMFYSA-N 1 1 410.544 -0.242 20 0 HBADMO CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001145062259 1071071119 /nfs/dbraw/zinc/07/11/19/1071071119.db2.gz ARNOYRBXXJNMGK-HNNXBMFYSA-N 1 1 410.544 -0.242 20 0 HBADMO CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001145062271 1071070932 /nfs/dbraw/zinc/07/09/32/1071070932.db2.gz ARNOYRBXXJNMGK-OAHLLOKOSA-N 1 1 410.544 -0.242 20 0 HBADMO CN(C(=O)c1cnn2c1S(=O)(=O)N(C)CC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001145062271 1071070922 /nfs/dbraw/zinc/07/09/22/1071070922.db2.gz ARNOYRBXXJNMGK-OAHLLOKOSA-N 1 1 410.544 -0.242 20 0 HBADMO CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001145063332 1071072307 /nfs/dbraw/zinc/07/23/07/1071072307.db2.gz FZWQSJWXRHETPI-RDJZCZTQSA-N 1 1 407.490 -0.062 20 0 HBADMO CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001145063332 1071072294 /nfs/dbraw/zinc/07/22/94/1071072294.db2.gz FZWQSJWXRHETPI-RDJZCZTQSA-N 1 1 407.490 -0.062 20 0 HBADMO CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001145063340 1071071923 /nfs/dbraw/zinc/07/19/23/1071071923.db2.gz FZWQSJWXRHETPI-WBVHZDCISA-N 1 1 407.490 -0.062 20 0 HBADMO CN(C(=O)[C@H](CO)NC(=O)c1cccc(F)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001145063340 1071071912 /nfs/dbraw/zinc/07/19/12/1071071912.db2.gz FZWQSJWXRHETPI-WBVHZDCISA-N 1 1 407.490 -0.062 20 0 HBADMO Cc1c(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cnn1-c1ccc(=O)[nH]n1 ZINC001146195447 1071082605 /nfs/dbraw/zinc/08/26/05/1071082605.db2.gz BOJRBADTSXDPRH-HNNXBMFYSA-N 1 1 401.471 -0.187 20 0 HBADMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cnn1-c1ccc(=O)[nH]n1 ZINC001146195448 1071082889 /nfs/dbraw/zinc/08/28/89/1071082889.db2.gz BOJRBADTSXDPRH-OAHLLOKOSA-N 1 1 401.471 -0.187 20 0 HBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001146196160 1071082744 /nfs/dbraw/zinc/08/27/44/1071082744.db2.gz HOXYIWPJIYXWFZ-FHLIZLRMSA-N 1 1 403.483 -0.520 20 0 HBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001146196165 1071082839 /nfs/dbraw/zinc/08/28/39/1071082839.db2.gz HOXYIWPJIYXWFZ-JLSDUUJJSA-N 1 1 403.483 -0.520 20 0 HBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001146196166 1071082991 /nfs/dbraw/zinc/08/29/91/1071082991.db2.gz HOXYIWPJIYXWFZ-OLMNPRSZSA-N 1 1 403.483 -0.520 20 0 HBADMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001146196167 1071082659 /nfs/dbraw/zinc/08/26/59/1071082659.db2.gz HOXYIWPJIYXWFZ-ZTFGCOKTSA-N 1 1 403.483 -0.520 20 0 HBADMO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001146197184 1071082705 /nfs/dbraw/zinc/08/27/05/1071082705.db2.gz RHOSDQYAYLUODB-MOPGFXCFSA-N 1 1 422.501 -0.632 20 0 HBADMO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001146197185 1071082930 /nfs/dbraw/zinc/08/29/30/1071082930.db2.gz RHOSDQYAYLUODB-OALUTQOASA-N 1 1 422.501 -0.632 20 0 HBADMO C[NH+]1CCN(c2cc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)ncn2)CC1 ZINC001146229106 1071085878 /nfs/dbraw/zinc/08/58/78/1071085878.db2.gz HXZGBIKAUHGTHD-UHFFFAOYSA-N 1 1 407.475 -0.192 20 0 HBADMO C[NH+]1CCN(c2ncc(NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cn2)CC1 ZINC001146229935 1071085735 /nfs/dbraw/zinc/08/57/35/1071085735.db2.gz YKWSQYPEOPHNFQ-UHFFFAOYSA-N 1 1 407.475 -0.192 20 0 HBADMO C[NH+]1CCN(c2cc(NC(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)ncn2)CC1 ZINC001146248442 1071084030 /nfs/dbraw/zinc/08/40/30/1071084030.db2.gz BJIQERPOCHITIE-CABCVRRESA-N 1 1 408.484 -0.699 20 0 HBADMO C[NH+]1CCN(c2ncccc2NC(=O)[C@@H]2N3C(=O)C[C@H]3S(=O)(=O)C2(C)C)CC1 ZINC001146248462 1071084084 /nfs/dbraw/zinc/08/40/84/1071084084.db2.gz BOUKIJABAUYKLJ-CABCVRRESA-N 1 1 407.496 -0.094 20 0 HBADMO C[NH+]1CCN(c2ncc(NC(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)cn2)CC1 ZINC001146249376 1071083991 /nfs/dbraw/zinc/08/39/91/1071083991.db2.gz LSDSXMNQELJBIL-KGLIPLIRSA-N 1 1 408.484 -0.699 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 ZINC001146388754 1071089810 /nfs/dbraw/zinc/08/98/10/1071089810.db2.gz KLRVGSCLVPWNOX-MRXNPFEDSA-N 1 1 410.540 -0.192 20 0 HBADMO C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001146455016 1071091044 /nfs/dbraw/zinc/09/10/44/1071091044.db2.gz BIFXQPYUPZVIQM-BJJPWKGXSA-N 1 1 400.524 -0.398 20 0 HBADMO C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001146455022 1071091151 /nfs/dbraw/zinc/09/11/51/1071091151.db2.gz BIFXQPYUPZVIQM-IKOXMDCHSA-N 1 1 400.524 -0.398 20 0 HBADMO C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001146455024 1071090998 /nfs/dbraw/zinc/09/09/98/1071090998.db2.gz BIFXQPYUPZVIQM-QMVSFRDZSA-N 1 1 400.524 -0.398 20 0 HBADMO C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001146455026 1071091091 /nfs/dbraw/zinc/09/10/91/1071091091.db2.gz BIFXQPYUPZVIQM-XHJNMGKDSA-N 1 1 400.524 -0.398 20 0 HBADMO CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@@H]2C[C@H]1CC2(F)F ZINC001146471964 1071090935 /nfs/dbraw/zinc/09/09/35/1071090935.db2.gz PEEANOXZAXBILV-LVTVNPDKSA-N 1 1 402.446 -0.461 20 0 HBADMO CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@@H]2C[C@H]1CC2(F)F ZINC001146471965 1071091113 /nfs/dbraw/zinc/09/11/13/1071091113.db2.gz PEEANOXZAXBILV-PJGZEUCASA-N 1 1 402.446 -0.461 20 0 HBADMO CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)[C@@H]2C[C@H]1CC2(F)F ZINC001146471966 1071091207 /nfs/dbraw/zinc/09/12/07/1071091207.db2.gz PEEANOXZAXBILV-RQVGPUOWSA-N 1 1 402.446 -0.461 20 0 HBADMO CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)[C@@H]2C[C@H]1CC2(F)F ZINC001146471967 1071090971 /nfs/dbraw/zinc/09/09/71/1071090971.db2.gz PEEANOXZAXBILV-ZJJIEKDWSA-N 1 1 402.446 -0.461 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@@H]21 ZINC001146509702 1071091605 /nfs/dbraw/zinc/09/16/05/1071091605.db2.gz GFJJZZSHGXXFOF-GJTYKATRSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@@H]21 ZINC001146509702 1071091597 /nfs/dbraw/zinc/09/15/97/1071091597.db2.gz GFJJZZSHGXXFOF-GJTYKATRSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@H]21 ZINC001146509704 1071091947 /nfs/dbraw/zinc/09/19/47/1071091947.db2.gz GFJJZZSHGXXFOF-RRPPUSTOSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@H]2NCN[C@H]21 ZINC001146509704 1071091936 /nfs/dbraw/zinc/09/19/36/1071091936.db2.gz GFJJZZSHGXXFOF-RRPPUSTOSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@H]21 ZINC001146509705 1071091667 /nfs/dbraw/zinc/09/16/67/1071091667.db2.gz GFJJZZSHGXXFOF-YBNCXLCVSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@H]21 ZINC001146509705 1071091657 /nfs/dbraw/zinc/09/16/57/1071091657.db2.gz GFJJZZSHGXXFOF-YBNCXLCVSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@@H]21 ZINC001146509706 1071091821 /nfs/dbraw/zinc/09/18/21/1071091821.db2.gz GFJJZZSHGXXFOF-YFZQLAKJSA-N 1 1 420.517 -0.012 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@]23C[N@H+](Cc4ccccc4)C[C@@H](O2)c2ccccc23)[C@@H]2NCN[C@@H]21 ZINC001146509706 1071091807 /nfs/dbraw/zinc/09/18/07/1071091807.db2.gz GFJJZZSHGXXFOF-YFZQLAKJSA-N 1 1 420.517 -0.012 20 0 HBADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC[C@@H]21 ZINC001146618136 1071094260 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CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370904 1071109820 /nfs/dbraw/zinc/10/98/20/1071109820.db2.gz SRCFVZZOOLFKMR-BZUAXINKSA-N 1 1 400.545 -0.189 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370905 1071110005 /nfs/dbraw/zinc/11/00/05/1071110005.db2.gz SRCFVZZOOLFKMR-OAGGEKHMSA-N 1 1 400.545 -0.189 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370906 1071110091 /nfs/dbraw/zinc/11/00/91/1071110091.db2.gz SRCFVZZOOLFKMR-OWCLPIDISA-N 1 1 400.545 -0.189 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CC1=O ZINC001147370907 1071109841 /nfs/dbraw/zinc/10/98/41/1071109841.db2.gz SRCFVZZOOLFKMR-PMPSAXMXSA-N 1 1 400.545 -0.189 20 0 HBADMO Cc1nn[nH]c1C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147569936 1071115850 /nfs/dbraw/zinc/11/58/50/1071115850.db2.gz HVJSKHICOVKPKT-QWHCGFSZSA-N 1 1 403.468 -0.707 20 0 HBADMO C[N@@H+](CC(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1O ZINC001147640573 1071118002 /nfs/dbraw/zinc/11/80/02/1071118002.db2.gz CGFHOWPGGYENTK-CLCXKQKWSA-N 1 1 401.504 -0.054 20 0 HBADMO C[N@@H+](CC(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1O ZINC001147640574 1071118080 /nfs/dbraw/zinc/11/80/80/1071118080.db2.gz CGFHOWPGGYENTK-SPYBWZPUSA-N 1 1 401.504 -0.054 20 0 HBADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642084 1071117977 /nfs/dbraw/zinc/11/79/77/1071117977.db2.gz QOTKBHFURMXYCK-MOPGFXCFSA-N 1 1 401.504 -0.052 20 0 HBADMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642087 1071117859 /nfs/dbraw/zinc/11/78/59/1071117859.db2.gz QOTKBHFURMXYCK-OALUTQOASA-N 1 1 401.504 -0.052 20 0 HBADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642088 1071118167 /nfs/dbraw/zinc/11/81/67/1071118167.db2.gz QOTKBHFURMXYCK-RBUKOAKNSA-N 1 1 401.504 -0.052 20 0 HBADMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)C1 ZINC001147642089 1071117959 /nfs/dbraw/zinc/11/79/59/1071117959.db2.gz QOTKBHFURMXYCK-RTBURBONSA-N 1 1 401.504 -0.052 20 0 HBADMO C[C@H](O)c1cn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)nn1 ZINC001147643917 1071117890 /nfs/dbraw/zinc/11/78/90/1071117890.db2.gz JEFDKNIFVQMYFF-HNNXBMFYSA-N 1 1 408.503 -0.592 20 0 HBADMO C[C@@H](O)c1cn(CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)nn1 ZINC001147643918 1071118142 /nfs/dbraw/zinc/11/81/42/1071118142.db2.gz JEFDKNIFVQMYFF-OAHLLOKOSA-N 1 1 408.503 -0.592 20 0 HBADMO NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)O1 ZINC001147645075 1071118037 /nfs/dbraw/zinc/11/80/37/1071118037.db2.gz NZIZNAZUAMBVIL-MSOLQXFVSA-N 1 1 424.542 -0.123 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC001147645814 1071117831 /nfs/dbraw/zinc/11/78/31/1071117831.db2.gz SBJPWJHSQWMXII-KRWDZBQOSA-N 1 1 404.515 -0.082 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCc3nncn3C2)CC1 ZINC001147645815 1071118062 /nfs/dbraw/zinc/11/80/62/1071118062.db2.gz SBJPWJHSQWMXII-QGZVFWFLSA-N 1 1 404.515 -0.082 20 0 HBADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2nc3n(n2)CCCN3)CC1 ZINC001147646099 1071118669 /nfs/dbraw/zinc/11/86/69/1071118669.db2.gz WRALIZDSFWCUHU-UHFFFAOYSA-N 1 1 405.503 -0.958 20 0 HBADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)c4nccnc4C(N)=O)C3)O2)CC1 ZINC001147753104 1071123926 /nfs/dbraw/zinc/12/39/26/1071123926.db2.gz DTIQQWXDDCZMBI-FOIQADDNSA-N 1 1 402.499 -0.023 20 0 HBADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001147775917 1071126325 /nfs/dbraw/zinc/12/63/25/1071126325.db2.gz RSJBECIGEXHQLF-DLBZAZTESA-N 1 1 414.572 -0.446 20 0 HBADMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001147775918 1071126212 /nfs/dbraw/zinc/12/62/12/1071126212.db2.gz RSJBECIGEXHQLF-IAGOWNOFSA-N 1 1 414.572 -0.446 20 0 HBADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001147775919 1071126297 /nfs/dbraw/zinc/12/62/97/1071126297.db2.gz RSJBECIGEXHQLF-IRXDYDNUSA-N 1 1 414.572 -0.446 20 0 HBADMO CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001147775920 1071126189 /nfs/dbraw/zinc/12/61/89/1071126189.db2.gz RSJBECIGEXHQLF-SJORKVTESA-N 1 1 414.572 -0.446 20 0 HBADMO C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC001147795638 1071126861 /nfs/dbraw/zinc/12/68/61/1071126861.db2.gz DXRDTNJSVULGRI-MRXNPFEDSA-N 1 1 400.487 -0.542 20 0 HBADMO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001147890293 1071129181 /nfs/dbraw/zinc/12/91/81/1071129181.db2.gz ABUKAYDSFHHSAR-INIZCTEOSA-N 1 1 420.514 -0.284 20 0 HBADMO Cc1c(C(=O)NN2CCS(=O)(=O)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC001147897935 1071130558 /nfs/dbraw/zinc/13/05/58/1071130558.db2.gz MUXHXHMQXLDADG-UHFFFAOYSA-N 1 1 404.496 -0.061 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898150 1071130527 /nfs/dbraw/zinc/13/05/27/1071130527.db2.gz REGWICOCCYLNSN-BPQIPLTHSA-N 1 1 420.485 -0.214 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898151 1071130649 /nfs/dbraw/zinc/13/06/49/1071130649.db2.gz REGWICOCCYLNSN-NJAFHUGGSA-N 1 1 420.485 -0.214 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898152 1071130709 /nfs/dbraw/zinc/13/07/09/1071130709.db2.gz REGWICOCCYLNSN-RYQLBKOJSA-N 1 1 420.485 -0.214 20 0 HBADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001147898153 1071130624 /nfs/dbraw/zinc/13/06/24/1071130624.db2.gz REGWICOCCYLNSN-SZMVWBNQSA-N 1 1 420.485 -0.214 20 0 HBADMO C[C@H](NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1)C(=O)N(C)C ZINC001147922920 1071131538 /nfs/dbraw/zinc/13/15/38/1071131538.db2.gz YTZNXUKCLVHJOC-CNRFMZSYSA-N 1 1 404.511 -0.463 20 0 HBADMO C[C@H](NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1)C(=O)N(C)C ZINC001147922920 1071131533 /nfs/dbraw/zinc/13/15/33/1071131533.db2.gz YTZNXUKCLVHJOC-CNRFMZSYSA-N 1 1 404.511 -0.463 20 0 HBADMO C[C@@H](NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1)C(=O)N(C)C ZINC001147922921 1071131364 /nfs/dbraw/zinc/13/13/64/1071131364.db2.gz YTZNXUKCLVHJOC-NTCWUJLTSA-N 1 1 404.511 -0.463 20 0 HBADMO C[C@@H](NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)C1)C(=O)N(C)C ZINC001147922921 1071131355 /nfs/dbraw/zinc/13/13/55/1071131355.db2.gz YTZNXUKCLVHJOC-NTCWUJLTSA-N 1 1 404.511 -0.463 20 0 HBADMO COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)cc1 ZINC001147931092 1071129771 /nfs/dbraw/zinc/12/97/71/1071129771.db2.gz VKWNYDSOOZOYBT-AWEZNQCLSA-N 1 1 415.450 -0.163 20 0 HBADMO COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)cc1 ZINC001147931092 1071129766 /nfs/dbraw/zinc/12/97/66/1071129766.db2.gz VKWNYDSOOZOYBT-AWEZNQCLSA-N 1 1 415.450 -0.163 20 0 HBADMO COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)cc1 ZINC001147931093 1071129931 /nfs/dbraw/zinc/12/99/31/1071129931.db2.gz VKWNYDSOOZOYBT-CQSZACIVSA-N 1 1 415.450 -0.163 20 0 HBADMO COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)cc1 ZINC001147931093 1071129925 /nfs/dbraw/zinc/12/99/25/1071129925.db2.gz VKWNYDSOOZOYBT-CQSZACIVSA-N 1 1 415.450 -0.163 20 0 HBADMO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001148078369 1071132986 /nfs/dbraw/zinc/13/29/86/1071132986.db2.gz HQWQHKQNDGCVGU-BJJXKVORSA-N 1 1 417.553 -0.167 20 0 HBADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001148078370 1071132961 /nfs/dbraw/zinc/13/29/61/1071132961.db2.gz HQWQHKQNDGCVGU-DUVNUKRYSA-N 1 1 417.553 -0.167 20 0 HBADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001148078371 1071133160 /nfs/dbraw/zinc/13/31/60/1071133160.db2.gz HQWQHKQNDGCVGU-JGGQBBKZSA-N 1 1 417.553 -0.167 20 0 HBADMO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001148078561 1071132885 /nfs/dbraw/zinc/13/28/85/1071132885.db2.gz HQWQHKQNDGCVGU-NOLJZWGESA-N 1 1 417.553 -0.167 20 0 HBADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001148079588 1071132917 /nfs/dbraw/zinc/13/29/17/1071132917.db2.gz SSTBSYZCHQGDNO-LLVKDONJSA-N 1 1 401.261 -0.231 20 0 HBADMO O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001148079590 1071133089 /nfs/dbraw/zinc/13/30/89/1071133089.db2.gz SSTBSYZCHQGDNO-NSHDSACASA-N 1 1 401.261 -0.231 20 0 HBADMO CC(C)(C)OC(=O)N1CCN(CC(=O)NCC[N@H+]2CCC3(C2)OCCO3)C(=O)C1 ZINC001148300433 1071137519 /nfs/dbraw/zinc/13/75/19/1071137519.db2.gz GQUZFFLSUXNEPK-UHFFFAOYSA-N 1 1 412.487 -0.369 20 0 HBADMO CC(C)(C)OC(=O)N1CCN(CC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)C(=O)C1 ZINC001148300433 1071137512 /nfs/dbraw/zinc/13/75/12/1071137512.db2.gz GQUZFFLSUXNEPK-UHFFFAOYSA-N 1 1 412.487 -0.369 20 0 HBADMO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C[NH+]2CCC(CO)CC2)C1=O ZINC001148335254 1071138814 /nfs/dbraw/zinc/13/88/14/1071138814.db2.gz WDMDXPHQKIBHDQ-UHFFFAOYSA-N 1 1 417.466 -0.178 20 0 HBADMO CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)ccn1 ZINC001148727172 1071143085 /nfs/dbraw/zinc/14/30/85/1071143085.db2.gz JNLTWBFTAAXMGY-CVEARBPZSA-N 1 1 410.496 -0.574 20 0 HBADMO CC[N@@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)C2)ccn1 ZINC001148727173 1071142938 /nfs/dbraw/zinc/14/29/38/1071142938.db2.gz JNLTWBFTAAXMGY-HOTGVXAUSA-N 1 1 410.496 -0.574 20 0 HBADMO Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001149024572 1071146171 /nfs/dbraw/zinc/14/61/71/1071146171.db2.gz CCFILKTZXABRCS-GFCCVEGCSA-N 1 1 404.514 -0.772 20 0 HBADMO Cc1ncc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC001149024584 1071146313 /nfs/dbraw/zinc/14/63/13/1071146313.db2.gz CCFILKTZXABRCS-LBPRGKRZSA-N 1 1 404.514 -0.772 20 0 HBADMO CC(=O)N[C@](C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001150053703 1071178085 /nfs/dbraw/zinc/17/80/85/1071178085.db2.gz MUKGTTLGNIRHSR-IBGZPJMESA-N 1 1 424.523 -0.493 20 0 HBADMO CC(=O)N[C@@](C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001150053704 1071178056 /nfs/dbraw/zinc/17/80/56/1071178056.db2.gz MUKGTTLGNIRHSR-LJQANCHMSA-N 1 1 424.523 -0.493 20 0 HBADMO COCCN1CCN(C)C2(CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC2)C1=O ZINC001164644452 719283498 /nfs/dbraw/zinc/28/34/98/719283498.db2.gz JWJRDZQGLXMPHE-UHFFFAOYSA-N 1 1 417.558 -0.012 20 0 HBADMO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001164695480 719829142 /nfs/dbraw/zinc/82/91/42/719829142.db2.gz DDCDHOSCTIBHAK-INIZCTEOSA-N 1 1 414.514 -0.176 20 0 HBADMO COCCNC(=O)[C@H]1Cn2nccc2CN(c2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001164695483 719829225 /nfs/dbraw/zinc/82/92/25/719829225.db2.gz DDCDHOSCTIBHAK-MRXNPFEDSA-N 1 1 414.514 -0.176 20 0 HBADMO CNC(=O)CN1CCOC[C@@]2(CCCN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164721282 720299641 /nfs/dbraw/zinc/29/96/41/720299641.db2.gz IXKXVLKKRPZFJZ-NRFANRHFSA-N 1 1 417.558 -0.107 20 0 HBADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3ccnc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001164721283 720298672 /nfs/dbraw/zinc/29/86/72/720298672.db2.gz IXKXVLKKRPZFJZ-OAQYLSRUSA-N 1 1 417.558 -0.107 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)NC)cn3)C2)C1 ZINC001164723927 720284908 /nfs/dbraw/zinc/28/49/08/720284908.db2.gz YTVPNGKDTYIYCV-GOSISDBHSA-N 1 1 411.528 -0.346 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(=O)(=O)NC)cn3)C2)C1 ZINC001164723927 720284901 /nfs/dbraw/zinc/28/49/01/720284901.db2.gz YTVPNGKDTYIYCV-GOSISDBHSA-N 1 1 411.528 -0.346 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)NC)cn3)C2)C1 ZINC001164723931 720285665 /nfs/dbraw/zinc/28/56/65/720285665.db2.gz YTVPNGKDTYIYCV-SFHVURJKSA-N 1 1 411.528 -0.346 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(S(=O)(=O)NC)cn3)C2)C1 ZINC001164723931 720285664 /nfs/dbraw/zinc/28/56/64/720285664.db2.gz YTVPNGKDTYIYCV-SFHVURJKSA-N 1 1 411.528 -0.346 20 0 HBADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@H]43)n2)CC1 ZINC001164798056 721596485 /nfs/dbraw/zinc/59/64/85/721596485.db2.gz IPBFFZHIZIYOFH-IKGGRYGDSA-N 1 1 402.499 -0.177 20 0 HBADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@H]43)n2)CC1 ZINC001164798057 721596374 /nfs/dbraw/zinc/59/63/74/721596374.db2.gz IPBFFZHIZIYOFH-IXDOHACOSA-N 1 1 402.499 -0.177 20 0 HBADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@H](C(=O)N5CCOCC5)C[C@@H]43)n2)CC1 ZINC001164798058 721596512 /nfs/dbraw/zinc/59/65/12/721596512.db2.gz IPBFFZHIZIYOFH-ULQDDVLXSA-N 1 1 402.499 -0.177 20 0 HBADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCOCC5)C[C@@H]43)n2)CC1 ZINC001164798059 721596445 /nfs/dbraw/zinc/59/64/45/721596445.db2.gz IPBFFZHIZIYOFH-YESZJQIVSA-N 1 1 402.499 -0.177 20 0 HBADMO C[NH+]1CCN(c2nccc(N3C[C@H](NC(=O)c4cnccn4)[C@@H]4COC[C@H]43)n2)CC1 ZINC001164800951 721599038 /nfs/dbraw/zinc/59/90/38/721599038.db2.gz NIEUXPRLKLYUGN-BHYGNILZSA-N 1 1 410.482 -0.348 20 0 HBADMO 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721443729 /nfs/dbraw/zinc/44/37/29/721443729.db2.gz FUYXVLDLWCDCNG-CRAIPNDOSA-N 1 1 410.544 -0.111 20 0 HBADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890797 721443453 /nfs/dbraw/zinc/44/34/53/721443453.db2.gz FUYXVLDLWCDCNG-MAUKXSAKSA-N 1 1 410.544 -0.111 20 0 HBADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890798 721443582 /nfs/dbraw/zinc/44/35/82/721443582.db2.gz FUYXVLDLWCDCNG-QAPCUYQASA-N 1 1 410.544 -0.111 20 0 HBADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(S(N)(=O)=O)nn4)C3)O2)CC1 ZINC001164890799 721443408 /nfs/dbraw/zinc/44/34/08/721443408.db2.gz FUYXVLDLWCDCNG-YJBOKZPZSA-N 1 1 410.544 -0.111 20 0 HBADMO COCCN1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1=O ZINC001164920249 721844581 /nfs/dbraw/zinc/84/45/81/721844581.db2.gz HHTQBJMFXLRMOE-DLBZAZTESA-N 1 1 404.515 -0.072 20 0 HBADMO COCCN1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1=O ZINC001164920250 721844595 /nfs/dbraw/zinc/84/45/95/721844595.db2.gz HHTQBJMFXLRMOE-IAGOWNOFSA-N 1 1 404.515 -0.072 20 0 HBADMO COCCN1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1=O ZINC001164920251 721844490 /nfs/dbraw/zinc/84/44/90/721844490.db2.gz HHTQBJMFXLRMOE-IRXDYDNUSA-N 1 1 404.515 -0.072 20 0 HBADMO COCCN1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1=O ZINC001164920252 721844423 /nfs/dbraw/zinc/84/44/23/721844423.db2.gz HHTQBJMFXLRMOE-SJORKVTESA-N 1 1 404.515 -0.072 20 0 HBADMO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC001164947114 721989982 /nfs/dbraw/zinc/98/99/82/721989982.db2.gz CBRDAICETBBVTF-CVEARBPZSA-N 1 1 409.560 -0.207 20 0 HBADMO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@H]2C1 ZINC001164947119 721989962 /nfs/dbraw/zinc/98/99/62/721989962.db2.gz CBRDAICETBBVTF-HOTGVXAUSA-N 1 1 409.560 -0.207 20 0 HBADMO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001164947120 721990137 /nfs/dbraw/zinc/99/01/37/721990137.db2.gz CBRDAICETBBVTF-HZPDHXFCSA-N 1 1 409.560 -0.207 20 0 HBADMO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)C[C@@H]2C1 ZINC001164947121 721989974 /nfs/dbraw/zinc/98/99/74/721989974.db2.gz CBRDAICETBBVTF-JKSUJKDBSA-N 1 1 409.560 -0.207 20 0 HBADMO Cn1nc(C(=O)N2CCOCC2)c2c1CN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001164976224 722160195 /nfs/dbraw/zinc/16/01/95/722160195.db2.gz VGJNVIHDTYSFGJ-UHFFFAOYSA-N 1 1 412.498 -0.046 20 0 HBADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2S(N)(=O)=O)CC3)CC1 ZINC001164996101 722230047 /nfs/dbraw/zinc/23/00/47/722230047.db2.gz FIQVRHXLHVIWKK-UHFFFAOYSA-N 1 1 403.512 -0.124 20 0 HBADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(S(N)(=O)=O)cn2)CC3)CC1 ZINC001164997551 722232221 /nfs/dbraw/zinc/23/22/21/722232221.db2.gz PJWOUXJMVMWAKT-UHFFFAOYSA-N 1 1 403.512 -0.124 20 0 HBADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(S(N)(=O)=O)nn2)CC3)CC1 ZINC001165001072 722238889 /nfs/dbraw/zinc/23/88/89/722238889.db2.gz BCBQOEVTOSWXBB-UHFFFAOYSA-N 1 1 404.500 -0.729 20 0 HBADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cc(S(N)(=O)=O)ccn2)CC3)CC1 ZINC001165001501 722238766 /nfs/dbraw/zinc/23/87/66/722238766.db2.gz HTELHLXSIDOLRG-UHFFFAOYSA-N 1 1 403.512 -0.124 20 0 HBADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cccc(S(N)(=O)=O)n2)CC3)CC1 ZINC001165003046 722240190 /nfs/dbraw/zinc/24/01/90/722240190.db2.gz HKPLODLHPNLXAE-UHFFFAOYSA-N 1 1 403.512 -0.124 20 0 HBADMO CN(C)C(=O)COCc1nnc2n1CCN(c1ccnc(N3CC[NH+](C)CC3)n1)C2 ZINC001165012030 721723526 /nfs/dbraw/zinc/72/35/26/721723526.db2.gz ZCWXKWSFTCEIIX-UHFFFAOYSA-N 1 1 415.502 -0.555 20 0 HBADMO C([C@@H]1CCCO1)[NH+]1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 ZINC001165038934 721902458 /nfs/dbraw/zinc/90/24/58/721902458.db2.gz UUHDREUUQKXVKF-KRWDZBQOSA-N 1 1 419.530 -0.154 20 0 HBADMO C([C@H]1CCCO1)[NH+]1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 ZINC001165038935 721902675 /nfs/dbraw/zinc/90/26/75/721902675.db2.gz UUHDREUUQKXVKF-QGZVFWFLSA-N 1 1 419.530 -0.154 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@H](OC)CS3(=O)=O)CC1=O ZINC001167105266 1068280804 /nfs/dbraw/zinc/28/08/04/1068280804.db2.gz 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C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1CO ZINC001171138948 1071039205 /nfs/dbraw/zinc/03/92/05/1071039205.db2.gz IYWGDDQQRJSQMC-GFCCVEGCSA-N 1 1 406.302 -0.138 20 0 HBADMO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C[C@@H]1CO ZINC001171138948 1071039198 /nfs/dbraw/zinc/03/91/98/1071039198.db2.gz IYWGDDQQRJSQMC-GFCCVEGCSA-N 1 1 406.302 -0.138 20 0 HBADMO C[N@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CO ZINC001171138956 1071039228 /nfs/dbraw/zinc/03/92/28/1071039228.db2.gz IYWGDDQQRJSQMC-LBPRGKRZSA-N 1 1 406.302 -0.138 20 0 HBADMO C[N@@H+]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C[C@H]1CO ZINC001171138956 1071039219 /nfs/dbraw/zinc/03/92/19/1071039219.db2.gz IYWGDDQQRJSQMC-LBPRGKRZSA-N 1 1 406.302 -0.138 20 0 HBADMO O=C(C[N@H+]1CC[C@H](O)[C@@H](CO)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001171229854 1071056714 /nfs/dbraw/zinc/05/67/14/1071056714.db2.gz JSDWXRDJSNOWTJ-INIBHJJNSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001171229854 1071056710 /nfs/dbraw/zinc/05/67/10/1071056710.db2.gz JSDWXRDJSNOWTJ-INIBHJJNSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@H+]1CC[C@H](O)[C@@H](CO)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001171229858 1071057027 /nfs/dbraw/zinc/05/70/27/1071057027.db2.gz JSDWXRDJSNOWTJ-RUBWIMCKSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@@H+]1CC[C@H](O)[C@@H](CO)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001171229858 1071057015 /nfs/dbraw/zinc/05/70/15/1071057015.db2.gz JSDWXRDJSNOWTJ-RUBWIMCKSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@H+]1CC[C@H](O)[C@H](CO)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001171229862 1071056702 /nfs/dbraw/zinc/05/67/02/1071056702.db2.gz JSDWXRDJSNOWTJ-SPZULXJOSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001171229862 1071056699 /nfs/dbraw/zinc/05/66/99/1071056699.db2.gz JSDWXRDJSNOWTJ-SPZULXJOSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@H+]1CC[C@H](O)[C@H](CO)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001171229865 1071056688 /nfs/dbraw/zinc/05/66/88/1071056688.db2.gz JSDWXRDJSNOWTJ-XQNAXSGYSA-N 1 1 420.491 -0.091 20 0 HBADMO O=C(C[N@@H+]1CC[C@H](O)[C@H](CO)C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001171229865 1071056685 /nfs/dbraw/zinc/05/66/85/1071056685.db2.gz JSDWXRDJSNOWTJ-XQNAXSGYSA-N 1 1 420.491 -0.091 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cc(F)c(F)cc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260415 1071069981 /nfs/dbraw/zinc/06/99/81/1071069981.db2.gz BPCQAIMYQLYZKK-XKVFNRALSA-N 1 1 406.349 -0.380 20 0 HBADMO Cn1ccc2nc(Cl)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c21 ZINC001171260894 1071070547 /nfs/dbraw/zinc/07/05/47/1071070547.db2.gz GMBADYNDRXEZIP-ZJIMWXPPSA-N 1 1 407.818 -0.666 20 0 HBADMO Cc1nc2cnc(Cl)cc2c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171260980 1071070576 /nfs/dbraw/zinc/07/05/76/1071070576.db2.gz ITGMSAOMQRAUNY-DSPGLSBSSA-N 1 1 419.829 -0.301 20 0 HBADMO CCCOc1nc(Cl)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261508 1071071802 /nfs/dbraw/zinc/07/18/02/1071071802.db2.gz NIYJNOWOZPHJAE-QCNRFFRDSA-N 1 1 413.822 -0.974 20 0 HBADMO CC(C)(C)C(=O)Nc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261524 1071071819 /nfs/dbraw/zinc/07/18/19/1071071819.db2.gz NXFKFYZQJNPMCW-HMTTWLPMSA-N 1 1 418.454 -0.221 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)cc4ncccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261539 1071071999 /nfs/dbraw/zinc/07/19/99/1071071999.db2.gz OOTHGPOCUOKJHQ-DSPGLSBSSA-N 1 1 404.814 -0.004 20 0 HBADMO CCOC(=O)c1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C ZINC001171261543 1071072098 /nfs/dbraw/zinc/07/20/98/1071072098.db2.gz OVUUVLYAEKPNAY-XKVFNRALSA-N 1 1 405.411 -0.721 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4cccc(Cl)c4n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261662 1071071856 /nfs/dbraw/zinc/07/18/56/1071071856.db2.gz PCAPRVFXQKJHQR-PZTHBURQSA-N 1 1 404.814 -0.004 20 0 HBADMO Cc1cc2c(nc(Cl)nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH]1 ZINC001171261684 1071070453 /nfs/dbraw/zinc/07/04/53/1071070453.db2.gz PMOIUQCLFZBVQK-IDTAVKCVSA-N 1 1 407.818 -0.368 20 0 HBADMO COc1ccc2nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cnc2c1 ZINC001171261745 1071070394 /nfs/dbraw/zinc/07/03/94/1071070394.db2.gz QMECZGKMEUBQRX-BASLNEPJSA-N 1 1 400.395 -0.649 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4scnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261798 1071070482 /nfs/dbraw/zinc/07/04/82/1071070482.db2.gz TUVLFTBXWPEBON-MUIQIWNUSA-N 1 1 411.831 -0.548 20 0 HBADMO NC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2ccccc21 ZINC001171261812 1071071402 /nfs/dbraw/zinc/07/14/02/1071071402.db2.gz ABSRJWSWXBDIAI-HALQFCHDSA-N 1 1 412.406 -0.954 20 0 HBADMO CC(C)(C)OC(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171261815 1071071298 /nfs/dbraw/zinc/07/12/98/1071071298.db2.gz ACJTYIQNNRWVNI-RAEVTNRLSA-N 1 1 419.438 -0.251 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(Oc4ccccc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261866 1071071540 /nfs/dbraw/zinc/07/15/40/1071071540.db2.gz CKWBNOCDDGESKS-BDQAWRDZSA-N 1 1 412.406 -0.019 20 0 HBADMO Cn1cnc2c1cc(Cl)nc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261924 1071071515 /nfs/dbraw/zinc/07/15/15/1071071515.db2.gz VDXKKSUVWBPRIM-MQMRNCCQSA-N 1 1 407.818 -0.666 20 0 HBADMO COc1c(Cl)nc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261939 1071071262 /nfs/dbraw/zinc/07/12/62/1071071262.db2.gz VWKXXQWBBCVBQE-JTFADIMSSA-N 1 1 419.225 -0.496 20 0 HBADMO Cc1c(Cl)nc(Cl)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171261943 1071071463 /nfs/dbraw/zinc/07/14/63/1071071463.db2.gz VZHADXOZSMKMII-WOUKDFQISA-N 1 1 403.226 -0.196 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3[nH]c(=O)c(Cl)cc3Cl)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261976 1071071217 /nfs/dbraw/zinc/07/12/17/1071071217.db2.gz XVUFABQADCOIPD-QYVSTXNMSA-N 1 1 404.210 -0.194 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4ccc(Cl)nc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261979 1071071089 /nfs/dbraw/zinc/07/10/89/1071071089.db2.gz YALUEOZQPYFFTO-MQMRNCCQSA-N 1 1 405.802 -0.609 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CCCN4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171261980 1071071006 /nfs/dbraw/zinc/07/10/06/1071071006.db2.gz YDYYGNRQNGQJPL-IDTAVKCVSA-N 1 1 409.834 -0.800 20 0 HBADMO CSc1c[nH]c2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c12 ZINC001171262024 1071071335 /nfs/dbraw/zinc/07/13/35/1071071335.db2.gz FMRFCYMHPIEQNA-UHEGPQQHSA-N 1 1 405.440 -0.608 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncc4c(n3)-c3ccccc3OC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262036 1071071035 /nfs/dbraw/zinc/07/10/35/1071071035.db2.gz FZNGKOIPXCXQFE-MOIQIXESSA-N 1 1 424.417 -0.252 20 0 HBADMO CCOC(=O)Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C ZINC001171262048 1071071196 /nfs/dbraw/zinc/07/11/96/1071071196.db2.gz GOWFPYCALDUEMA-HALQFCHDSA-N 1 1 419.438 -0.792 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cc5c(cc43)OCO5)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262070 1071071885 /nfs/dbraw/zinc/07/18/85/1071071885.db2.gz HJZWCINJJDQYEB-DNNBLBMLSA-N 1 1 414.378 -0.929 20 0 HBADMO CSc1nc2c(c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n1)CCC2 ZINC001171262141 1071072033 /nfs/dbraw/zinc/07/20/33/1071072033.db2.gz IZPJCDQBRLWKIX-BPGGGUHBSA-N 1 1 406.468 -0.600 20 0 HBADMO COC(=O)c1c(C)c(OC)ccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262232 1071072061 /nfs/dbraw/zinc/07/20/61/1071072061.db2.gz ALRJIEWCHMJASP-BASLNEPJSA-N 1 1 420.422 -0.497 20 0 HBADMO CC1(C)CC(=O)Nc2nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc21 ZINC001171262240 1071073006 /nfs/dbraw/zinc/07/30/06/1071073006.db2.gz AVHUHOIOKCRXLT-GWBBYGMBSA-N 1 1 416.438 -0.420 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(Cl)nc4cnccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262241 1071072681 /nfs/dbraw/zinc/07/26/81/1071072681.db2.gz AXVXYJQRHAACBF-RAEVTNRLSA-N 1 1 404.814 -0.004 20 0 HBADMO CC(C)(C)OC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171262246 1071072554 /nfs/dbraw/zinc/07/25/54/1071072554.db2.gz BEVHNLDILDBYCT-JUDXGUMMSA-N 1 1 420.426 -0.856 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cccc(Cc4ccncc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262249 1071073083 /nfs/dbraw/zinc/07/30/83/1071073083.db2.gz BPEABNCZJFELCI-UTRMSSBJSA-N 1 1 410.434 -0.220 20 0 HBADMO CCOc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(SC)n1 ZINC001171262301 1071073063 /nfs/dbraw/zinc/07/30/63/1071073063.db2.gz LBIHTMSHOPXLEK-HKSFMPNISA-N 1 1 410.456 -0.690 20 0 HBADMO COc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2ccsc21 ZINC001171262331 1071072599 /nfs/dbraw/zinc/07/25/99/1071072599.db2.gz LBTUGWRVANQMAS-IDTAVKCVSA-N 1 1 406.424 -0.588 20 0 HBADMO CC1(c2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)OCCO1 ZINC001171262337 1071073031 /nfs/dbraw/zinc/07/30/31/1071073031.db2.gz LCRRJLUSYAUNBC-RAEVTNRLSA-N 1 1 405.411 -0.987 20 0 HBADMO CCc1nc(Cl)c(F)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262356 1071072953 /nfs/dbraw/zinc/07/29/53/1071072953.db2.gz LJURTOBHZIZVGN-UISLRAPISA-N 1 1 400.798 -0.456 20 0 HBADMO Cc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c([Si](C)(C)C)c1 ZINC001171262367 1071072721 /nfs/dbraw/zinc/07/27/21/1071072721.db2.gz LTTVATHJQXYALW-BNGXUDDSSA-N 1 1 405.531 -0.352 20 0 HBADMO CCOC(=O)CCc1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262427 1071072809 /nfs/dbraw/zinc/07/28/09/1071072809.db2.gz DXZXOTQDXBECFQ-HALQFCHDSA-N 1 1 419.438 -0.710 20 0 HBADMO CN(C)c1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2ccccc21 ZINC001171262433 1071072881 /nfs/dbraw/zinc/07/28/81/1071072881.db2.gz MFIFQMXCKNOVTQ-DNNBLBMLSA-N 1 1 413.438 -0.592 20 0 HBADMO COC(=O)c1cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ncc2o1 ZINC001171262451 1071073673 /nfs/dbraw/zinc/07/36/73/1071073673.db2.gz FOULPYDLXUZWKD-RAEVTNRLSA-N 1 1 417.378 -0.673 20 0 HBADMO CCc1cc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2s1 ZINC001171262503 1071073393 /nfs/dbraw/zinc/07/33/93/1071073393.db2.gz MZWYJRHRESACGE-XNIJJKJLSA-N 1 1 404.452 -0.034 20 0 HBADMO CCn1cnc2c1nc(Cl)nc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262508 1071073735 /nfs/dbraw/zinc/07/37/35/1071073735.db2.gz MZXIHDDTUOYGHD-NKNIEXMISA-N 1 1 422.833 -0.788 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CCS4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262513 1071073646 /nfs/dbraw/zinc/07/36/46/1071073646.db2.gz NBUDYNJSMJIIAB-QYVSTXNMSA-N 1 1 412.859 -0.509 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(nn3)-c3ccccc3OC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262628 1071073698 /nfs/dbraw/zinc/07/36/98/1071073698.db2.gz FYKDYLGQDJSEAY-ZQNRLITLSA-N 1 1 424.417 -0.252 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(Cl)nc4cccnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262630 1071073839 /nfs/dbraw/zinc/07/38/39/1071073839.db2.gz FZSAVILMEDFDQS-YEHMFOAPSA-N 1 1 404.814 -0.004 20 0 HBADMO CC(C)(C)C(=O)Nc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171262635 1071073318 /nfs/dbraw/zinc/07/33/18/1071073318.db2.gz GBZXBANCWIXMRT-RAEVTNRLSA-N 1 1 418.454 -0.221 20 0 HBADMO CCc1nc(Cl)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1CC ZINC001171262651 1071073278 /nfs/dbraw/zinc/07/32/78/1071073278.db2.gz GUZQPTKMYSZYDT-XNIJJKJLSA-N 1 1 410.862 -0.033 20 0 HBADMO Cc1nc(Cl)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Cl)n1 ZINC001171262666 1071073788 /nfs/dbraw/zinc/07/37/88/1071073788.db2.gz HIPMBYFRRXSNNT-CLOKMRPHSA-N 1 1 403.226 -0.196 20 0 HBADMO Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc1Br ZINC001171262673 1071073537 /nfs/dbraw/zinc/07/35/37/1071073537.db2.gz HOXOCSYGWIZLNS-ICGCDAGXSA-N 1 1 412.244 -0.135 20 0 HBADMO C[C@H]1Oc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2NC1=O ZINC001171262675 1071073812 /nfs/dbraw/zinc/07/38/12/1071073812.db2.gz HUCOYNSYZORIHK-WZZOIISGSA-N 1 1 403.395 -0.882 20 0 HBADMO C[C@@H]1Oc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2NC1=O ZINC001171262676 1071073717 /nfs/dbraw/zinc/07/37/17/1071073717.db2.gz HUCOYNSYZORIHK-ZITOJUSYSA-N 1 1 403.395 -0.882 20 0 HBADMO C[N@H+]1CCCC[C@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1 ZINC001171262679 1071073570 /nfs/dbraw/zinc/07/35/70/1071073570.db2.gz HYEXZQLEXXZVPZ-RMIBSVFLSA-N 1 1 416.482 -0.049 20 0 HBADMO C[N@H+]1CCCC[C@@H]1c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)nc1 ZINC001171262680 1071073425 /nfs/dbraw/zinc/07/34/25/1071073425.db2.gz HYEXZQLEXXZVPZ-ZUJMEHAASA-N 1 1 416.482 -0.049 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(CC4CC4)nc4[nH]ccc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262682 1071074399 /nfs/dbraw/zinc/07/43/99/1071074399.db2.gz IDJICFFATQMQKV-XKLVTHTNSA-N 1 1 413.438 -0.377 20 0 HBADMO CCOC(=O)c1cc(C)nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171262707 1071074303 /nfs/dbraw/zinc/07/43/03/1071074303.db2.gz PAONYTNIMDMVRP-RAEVTNRLSA-N 1 1 405.411 -0.721 20 0 HBADMO CN(C)C(=O)Sc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262708 1071074483 /nfs/dbraw/zinc/07/44/83/1071074483.db2.gz ISLVAQNXNWRJIU-JUDXGUMMSA-N 1 1 422.467 -0.432 20 0 HBADMO CC1(C)c2cnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2NC1=O ZINC001171262718 1071074559 /nfs/dbraw/zinc/07/45/59/1071074559.db2.gz PKZOUJDUOAXQHQ-JUDXGUMMSA-N 1 1 402.411 -0.976 20 0 HBADMO CC(C)c1nc2[nH]ccc2c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171262729 1071074427 /nfs/dbraw/zinc/07/44/27/1071074427.db2.gz IVYNNYNWHSUSTF-CNEMSGBDSA-N 1 1 401.427 -0.206 20 0 HBADMO CC(=O)N1CCCc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc21 ZINC001171262737 1071074369 /nfs/dbraw/zinc/07/43/69/1071074369.db2.gz JATNWXAEIMUMNG-NXWXRZEISA-N 1 1 415.450 -0.302 20 0 HBADMO COC(=O)[C@@H](C)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262743 1071074528 /nfs/dbraw/zinc/07/45/28/1071074528.db2.gz JFSSVIRSBSEXHO-PEIKOTFYSA-N 1 1 405.411 -0.930 20 0 HBADMO COC(=O)[C@H](C)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc1 ZINC001171262744 1071074604 /nfs/dbraw/zinc/07/46/04/1071074604.db2.gz JFSSVIRSBSEXHO-SJWGDGNFSA-N 1 1 405.411 -0.930 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccccc3C(=O)N3CCCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262760 1071074188 /nfs/dbraw/zinc/07/41/88/1071074188.db2.gz JJFJEGDIFPASLG-KLICCBINSA-N 1 1 415.450 -0.365 20 0 HBADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2[nH]ccc21 ZINC001171262782 1071074459 /nfs/dbraw/zinc/07/44/59/1071074459.db2.gz QNTBKBSEDYMQOE-DSPGLSBSSA-N 1 1 416.394 -0.938 20 0 HBADMO Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(-c2ccccn2)n1 ZINC001171262853 1071074256 /nfs/dbraw/zinc/07/42/56/1071074256.db2.gz SIZWNFGXTCHMKQ-BNEJOLLZSA-N 1 1 411.422 -0.441 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cnc(Cl)cc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262855 1071074506 /nfs/dbraw/zinc/07/45/06/1071074506.db2.gz SKDSICRVZJOOOZ-QGMIFYJMSA-N 1 1 405.802 -0.609 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)cc4nccnc43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262901 1071074151 /nfs/dbraw/zinc/07/41/51/1071074151.db2.gz TZHHIQAZPJPLKA-MQMRNCCQSA-N 1 1 405.802 -0.609 20 0 HBADMO Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(-c2cccnc2)n1 ZINC001171262920 1071074132 /nfs/dbraw/zinc/07/41/32/1071074132.db2.gz UDCVLDBQMHMCIN-HALQFCHDSA-N 1 1 411.422 -0.441 20 0 HBADMO Cc1cc(C(=O)OC(C)C)cnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171262922 1071074629 /nfs/dbraw/zinc/07/46/29/1071074629.db2.gz UDVLMRTWGHDJDA-DNNBLBMLSA-N 1 1 419.438 -0.332 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4[nH]c5c(c43)CCCC5)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262924 1071074336 /nfs/dbraw/zinc/07/43/36/1071074336.db2.gz UDVSXGHRXGIVKD-XKLVTHTNSA-N 1 1 413.438 -0.451 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)cc(-n4cccc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262927 1071074224 /nfs/dbraw/zinc/07/42/24/1071074224.db2.gz UGNNHFXCUVXOKG-SEWBAHNZSA-N 1 1 419.829 -0.367 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4cccc(Cl)c43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262964 1071074937 /nfs/dbraw/zinc/07/49/37/1071074937.db2.gz VBSLNJCKKQWHKM-DSPGLSBSSA-N 1 1 404.814 -0.004 20 0 HBADMO CCC(=O)NCc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171263029 1071075247 /nfs/dbraw/zinc/07/52/47/1071075247.db2.gz KIAAPRIDHKHDCK-BNEJOLLZSA-N 1 1 403.439 -0.575 20 0 HBADMO COC(=O)c1cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c[nH]c-2n1 ZINC001171263036 1071074968 /nfs/dbraw/zinc/07/49/68/1071074968.db2.gz KPWGUNJLTLLFBL-XKVFNRALSA-N 1 1 416.394 -0.938 20 0 HBADMO CSc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(C(F)F)n1 ZINC001171263039 1071075305 /nfs/dbraw/zinc/07/53/05/1071075305.db2.gz KVMZJSQYICIZNO-GDECHXLSSA-N 1 1 416.410 -0.152 20 0 HBADMO CC(C)(C)c1nc2c(ncnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH]1 ZINC001171263059 1071075641 /nfs/dbraw/zinc/07/56/41/1071075641.db2.gz MAXJTJXCQJWEJM-SJAJALHSSA-N 1 1 416.442 -0.637 20 0 HBADMO CC(C)(C)c1nc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2[nH]1 ZINC001171263059 1071075627 /nfs/dbraw/zinc/07/56/27/1071075627.db2.gz MAXJTJXCQJWEJM-SJAJALHSSA-N 1 1 416.442 -0.637 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cncc(-c4cccs4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263129 1071075574 /nfs/dbraw/zinc/07/55/74/1071075574.db2.gz NBWOKKDGHMDKKN-HMTTWLPMSA-N 1 1 402.436 -0.083 20 0 HBADMO CON(C)C(=O)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171263133 1071075758 /nfs/dbraw/zinc/07/57/58/1071075758.db2.gz NDTWZFXLZNNADB-BNEJOLLZSA-N 1 1 419.438 -0.873 20 0 HBADMO COc1ccc2c(C)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2c1 ZINC001171263156 1071076064 /nfs/dbraw/zinc/07/60/64/1071076064.db2.gz WASUNXFDKQOJHO-MWQQHZPXSA-N 1 1 414.422 -0.341 20 0 HBADMO Cc1c(Cl)nc(N(C)C)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263168 1071075858 /nfs/dbraw/zinc/07/58/58/1071075858.db2.gz NMVXLBBUQRIVAL-IDTAVKCVSA-N 1 1 411.850 -0.783 20 0 HBADMO COC(=O)c1ccc(OC)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1F ZINC001171263184 1071075896 /nfs/dbraw/zinc/07/58/96/1071075896.db2.gz NTFXTFBUKCYCAM-YEHMFOAPSA-N 1 1 424.385 -0.667 20 0 HBADMO Cc1ccc(-c2cnnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)cc1 ZINC001171263189 1071075920 /nfs/dbraw/zinc/07/59/20/1071075920.db2.gz WLRCGVSKZPVZQR-MWQQHZPXSA-N 1 1 411.422 -0.441 20 0 HBADMO CC(C)(C)c1nc2nc[nH]c2c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263191 1071075544 /nfs/dbraw/zinc/07/55/44/1071075544.db2.gz WMGXZUDVVKVFIW-SJAJALHSSA-N 1 1 416.442 -0.637 20 0 HBADMO NC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c2sccc21 ZINC001171263227 1071075678 /nfs/dbraw/zinc/07/56/78/1071075678.db2.gz OHNQQKZUYNQYPR-UBEDBUPSSA-N 1 1 418.435 -0.892 20 0 HBADMO CSc1ncc2c(ccnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263240 1071075882 /nfs/dbraw/zinc/07/58/82/1071075882.db2.gz WYFSYGWOFDDUEV-BPGGGUHBSA-N 1 1 417.451 -0.541 20 0 HBADMO CN(CC1CC1)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263247 1071075739 /nfs/dbraw/zinc/07/57/39/1071075739.db2.gz ONWACTWVFQHJPO-GAEVZRCVSA-N 1 1 403.443 -0.965 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc(CCc4ccccc4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263252 1071075993 /nfs/dbraw/zinc/07/59/93/1071075993.db2.gz OQCLRHKVVBPRCX-LMFCIFFHSA-N 1 1 424.461 -0.026 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(C(=O)N4CCCC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263275 1071075782 /nfs/dbraw/zinc/07/57/82/1071075782.db2.gz XUQSUJKALICVQM-HALQFCHDSA-N 1 1 416.438 -0.970 20 0 HBADMO COC(=O)c1cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)nc2[nH]1 ZINC001171263291 1071075805 /nfs/dbraw/zinc/07/58/05/1071075805.db2.gz XXULBBFLPUZPQC-DSPGLSBSSA-N 1 1 416.394 -0.772 20 0 HBADMO CC(C)(C)NC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263301 1071075706 /nfs/dbraw/zinc/07/57/06/1071075706.db2.gz YCNGICKOHHTZAU-LSCFUAHRSA-N 1 1 418.454 -0.678 20 0 HBADMO Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(-c2cccnc2)n1 ZINC001171263314 1071075939 /nfs/dbraw/zinc/07/59/39/1071075939.db2.gz YLGVIAZPRZESQG-BNEJOLLZSA-N 1 1 411.422 -0.441 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc4c(Cl)nccc34)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263322 1071076028 /nfs/dbraw/zinc/07/60/28/1071076028.db2.gz YQYASPDKIVEMOY-SJAJALHSSA-N 1 1 405.802 -0.609 20 0 HBADMO COc1ccc2nc(C)nc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2c1 ZINC001171263353 1071075841 /nfs/dbraw/zinc/07/58/41/1071075841.db2.gz ZFPGIUHLDNBVAZ-GFOCRRMGSA-N 1 1 414.422 -0.341 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(COCC4CC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263391 1071076630 /nfs/dbraw/zinc/07/66/30/1071076630.db2.gz ZOUCRHQLYLSISY-BNEJOLLZSA-N 1 1 403.439 -0.279 20 0 HBADMO CC(C)c1nc2c(ncnc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH]1 ZINC001171263404 1071076819 /nfs/dbraw/zinc/07/68/19/1071076819.db2.gz ZXONNQHVBIJWQZ-ISTPORRPSA-N 1 1 402.415 -0.811 20 0 HBADMO CC(C)c1nc2ncnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2[nH]1 ZINC001171263404 1071076800 /nfs/dbraw/zinc/07/68/00/1071076800.db2.gz ZXONNQHVBIJWQZ-ISTPORRPSA-N 1 1 402.415 -0.811 20 0 HBADMO CC(=O)O[C@@H]1Cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2C1 ZINC001171263436 1071076722 /nfs/dbraw/zinc/07/67/22/1071076722.db2.gz OTFUCGXUYKKPKI-POGZOPGASA-N 1 1 416.434 -0.405 20 0 HBADMO CC(=O)O[C@H]1Cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2C1 ZINC001171263437 1071076497 /nfs/dbraw/zinc/07/64/97/1071076497.db2.gz OTFUCGXUYKKPKI-ZPKKHLQPSA-N 1 1 416.434 -0.405 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3C3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263450 1071076386 /nfs/dbraw/zinc/07/63/86/1071076386.db2.gz PJBBEUDHDSPGTN-GFOCRRMGSA-N 1 1 403.439 -0.312 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(Cl)nc(C4CCCC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263457 1071076431 /nfs/dbraw/zinc/07/64/31/1071076431.db2.gz PLFDPTSVILWJMX-XIDUGBJDSA-N 1 1 423.861 -0.105 20 0 HBADMO CC(C)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc(N(C)C)n1 ZINC001171263497 1071076755 /nfs/dbraw/zinc/07/67/55/1071076755.db2.gz PYUNZNVMNRESOQ-RAEVTNRLSA-N 1 1 405.459 -0.622 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(C(F)(F)F)cc[n+]3[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171263509 1071076858 /nfs/dbraw/zinc/07/68/58/1071076858.db2.gz QGNNYXLTAQKVGG-HUXSOILUSA-N 1 1 403.317 -0.949 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cccc(COCC4CC4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263571 1071076451 /nfs/dbraw/zinc/07/64/51/1071076451.db2.gz QYVAXCPHWUFSHT-BNEJOLLZSA-N 1 1 403.439 -0.279 20 0 HBADMO CCc1noc(-c2ccnc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)n1 ZINC001171263582 1071075163 /nfs/dbraw/zinc/07/51/63/1071075163.db2.gz RHPKYDCKIVLKDN-GWBBYGMBSA-N 1 1 415.410 -0.594 20 0 HBADMO COC(=O)c1cc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2[nH]1 ZINC001171263590 1071075280 /nfs/dbraw/zinc/07/52/80/1071075280.db2.gz ROZZWDUXFXGXDI-MWQQHZPXSA-N 1 1 415.406 -0.333 20 0 HBADMO CN(C)C(=O)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171263591 1071075140 /nfs/dbraw/zinc/07/51/40/1071075140.db2.gz RPGABYLVRNFMMU-BNEJOLLZSA-N 1 1 403.439 -0.805 20 0 HBADMO Cc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(Br)c1 ZINC001171263598 1071074998 /nfs/dbraw/zinc/07/49/98/1071074998.db2.gz RXIJMWRYQRLYBX-XIDUGBJDSA-N 1 1 412.244 -0.135 20 0 HBADMO CC(=O)Nc1cc2c(cc1Nc1ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n1)OCO2 ZINC001171263603 1071075184 /nfs/dbraw/zinc/07/51/84/1071075184.db2.gz SBKZDMMTRHDEIN-MWQQHZPXSA-N 1 1 419.394 -0.914 20 0 HBADMO CN(C)C(=S)Oc1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263604 1071075222 /nfs/dbraw/zinc/07/52/22/1071075222.db2.gz SCAHAGRRWVOCQD-BPGGGUHBSA-N 1 1 422.467 -0.981 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc(-c4cncs4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263606 1071075065 /nfs/dbraw/zinc/07/50/65/1071075065.db2.gz SDPYXXAQRFOMMW-AXTGTSHSSA-N 1 1 403.424 -0.522 20 0 HBADMO CCOc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)nc2c1CCCC2 ZINC001171263825 1071076592 /nfs/dbraw/zinc/07/65/92/1071076592.db2.gz UNZTUJLMMCJSHC-DNNBLBMLSA-N 1 1 418.454 -0.534 20 0 HBADMO COc1c(C)nc(C2CC2)nc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263826 1071076475 /nfs/dbraw/zinc/07/64/75/1071076475.db2.gz UOGYHLNWSOFOAM-CNEMSGBDSA-N 1 1 404.427 -0.617 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nc(C4CC4)nc4c3CCC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263838 1071076412 /nfs/dbraw/zinc/07/64/12/1071076412.db2.gz VFZXHFQAXWNMNY-SCFUHWHPSA-N 1 1 400.439 -0.445 20 0 HBADMO CCCCN(C)c1cncc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)n1 ZINC001171263856 1071076344 /nfs/dbraw/zinc/07/63/44/1071076344.db2.gz VOALKVVSKBHBMJ-GAEVZRCVSA-N 1 1 405.459 -0.575 20 0 HBADMO COC(=O)c1cc2[nH]ccc2cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171263859 1071076613 /nfs/dbraw/zinc/07/66/13/1071076613.db2.gz VODGFKVPELAUCS-MWQQHZPXSA-N 1 1 415.406 -0.167 20 0 HBADMO Cc1nc(-c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2)no1 ZINC001171263907 1071076363 /nfs/dbraw/zinc/07/63/63/1071076363.db2.gz WJZTYEMYXJUJJQ-DNNBLBMLSA-N 1 1 400.395 -0.077 20 0 HBADMO COc1ncnc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc21 ZINC001171263936 1071076523 /nfs/dbraw/zinc/07/65/23/1071076523.db2.gz XFMXCRYURJJGBN-DNNBLBMLSA-N 1 1 400.395 -0.649 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3[nH]c4coc(=O)c-4cc3Cl)nc2=O)O[C@H](CO)[C@H]1O ZINC001171263991 1071076688 /nfs/dbraw/zinc/07/66/88/1071076688.db2.gz YLPMFNJDYONGAH-XIDUGBJDSA-N 1 1 409.786 -0.882 20 0 HBADMO Cc1ccnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1Br ZINC001171264030 1071076658 /nfs/dbraw/zinc/07/66/58/1071076658.db2.gz ZQLSOHDAVKJZOS-LHNIVKCTSA-N 1 1 412.244 -0.135 20 0 HBADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc2[nH]ccc21 ZINC001171264364 1071078415 /nfs/dbraw/zinc/07/84/15/1071078415.db2.gz BNUZVTJEQHXNOL-MWQQHZPXSA-N 1 1 415.406 -0.333 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(F)c(C4OCCO4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264389 1071077449 /nfs/dbraw/zinc/07/74/49/1071077449.db2.gz CYXMGJRPWKRYMG-DTZQCDIJSA-N 1 1 408.386 -0.417 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccccc3N3CCOCC3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264419 1071077189 /nfs/dbraw/zinc/07/71/89/1071077189.db2.gz FNTPNISDYZFITC-VDHUWJSZSA-N 1 1 403.439 -0.764 20 0 HBADMO CN(C)c1ncc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2n1 ZINC001171264422 1071077359 /nfs/dbraw/zinc/07/73/59/1071077359.db2.gz FPWKWFRQPICKDZ-MWQQHZPXSA-N 1 1 413.438 -0.426 20 0 HBADMO COC(=O)c1cc2ncoc2c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171264437 1071077699 /nfs/dbraw/zinc/07/76/99/1071077699.db2.gz GKYYLBILRKGZRQ-XKVFNRALSA-N 1 1 417.378 -0.673 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(Oc4ccccc4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264452 1071077329 /nfs/dbraw/zinc/07/73/29/1071077329.db2.gz GYKYKHOBDXYBED-MWQQHZPXSA-N 1 1 412.406 -0.019 20 0 HBADMO Cc1ccc(S(C)(=O)=O)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264469 1071077160 /nfs/dbraw/zinc/07/71/60/1071077160.db2.gz HXSJCIKQWKHBCQ-DTZQCDIJSA-N 1 1 410.452 -0.889 20 0 HBADMO COC(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1OC ZINC001171264494 1071077102 /nfs/dbraw/zinc/07/71/02/1071077102.db2.gz IZVOXNSSTPLPCT-XKVFNRALSA-N 1 1 406.395 -0.806 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(N4CSCC4=O)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264545 1071077128 /nfs/dbraw/zinc/07/71/28/1071077128.db2.gz LIPPCZBLBRCOEA-BASLNEPJSA-N 1 1 419.463 -0.398 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(C4N=NC(=S)O4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264553 1071077475 /nfs/dbraw/zinc/07/74/75/1071077475.db2.gz LNPDKFGZGMNANY-BPGGGUHBSA-N 1 1 418.435 -0.097 20 0 HBADMO Cc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ccc1N1CCOCC1 ZINC001171264562 1071077422 /nfs/dbraw/zinc/07/74/22/1071077422.db2.gz MAAUYNGSMFGFJC-NXWXRZEISA-N 1 1 417.466 -0.290 20 0 HBADMO CC(C)(C)OC(=O)c1cccnc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264565 1071078505 /nfs/dbraw/zinc/07/85/05/1071078505.db2.gz MDYBCKHCTPDDFB-XKVFNRALSA-N 1 1 419.438 -0.251 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(O)ccc3Br)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264569 1071078244 /nfs/dbraw/zinc/07/82/44/1071078244.db2.gz MIBFSANKTKZPCO-FMKGYKFTSA-N 1 1 413.228 -0.133 20 0 HBADMO COC(=O)c1cc2nc[nH]c2c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171264573 1071078020 /nfs/dbraw/zinc/07/80/20/1071078020.db2.gz MLPHLSOVKFZYSJ-UIBBOPPKSA-N 1 1 416.394 -0.938 20 0 HBADMO COC(=O)c1c(C)cc(F)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264577 1071078170 /nfs/dbraw/zinc/07/81/70/1071078170.db2.gz MTVLPXVQKZPQIA-RAEVTNRLSA-N 1 1 408.386 -0.367 20 0 HBADMO COC(=O)c1cc(OC)ccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264578 1071078335 /nfs/dbraw/zinc/07/83/35/1071078335.db2.gz MWEPWKSCSZDUAJ-DTZQCDIJSA-N 1 1 406.395 -0.806 20 0 HBADMO CC(=O)Nc1cc(C)c(C)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264579 1071078001 /nfs/dbraw/zinc/07/80/01/1071078001.db2.gz MYBVRWFPWUSSOZ-VDHUWJSZSA-N 1 1 403.439 -0.026 20 0 HBADMO CCOC(=O)c1ccc(C)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264585 1071078304 /nfs/dbraw/zinc/07/83/04/1071078304.db2.gz NCJLOBACQQUFDN-MWQQHZPXSA-N 1 1 404.423 -0.116 20 0 HBADMO CC(=O)Oc1c[nH]c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc12 ZINC001171264616 1071078389 /nfs/dbraw/zinc/07/83/89/1071078389.db2.gz OJLNIWPMPMJTKJ-VDHUWJSZSA-N 1 1 415.406 -0.194 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c5c(ccnc35)CCO4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264639 1071078363 /nfs/dbraw/zinc/07/83/63/1071078363.db2.gz PORSSCTVMRZKFE-ZQNRLITLSA-N 1 1 411.418 -0.118 20 0 HBADMO CC(C)C(=O)Nc1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171264641 1071078210 /nfs/dbraw/zinc/07/82/10/1071078210.db2.gz PURSXSMYBPKSEC-GFOCRRMGSA-N 1 1 403.439 -0.007 20 0 HBADMO COC(=O)c1c[nH]c2ncc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc12 ZINC001171264656 1071077968 /nfs/dbraw/zinc/07/79/68/1071077968.db2.gz QGYRCUOBXJBGHV-XKVFNRALSA-N 1 1 416.394 -0.938 20 0 HBADMO CON(C)C(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171264690 1071078109 /nfs/dbraw/zinc/07/81/09/1071078109.db2.gz RVPBDJYMKQVLMA-DNNBLBMLSA-N 1 1 405.411 -0.968 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3nccc(Br)c3F)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264716 1071078466 /nfs/dbraw/zinc/07/84/66/1071078466.db2.gz SZTAQODNIUHMPN-GDECHXLSSA-N 1 1 416.207 -0.304 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(OCC4CCC4)nc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264724 1071078852 /nfs/dbraw/zinc/07/88/52/1071078852.db2.gz UBMYVFRMKYLTPM-BNEJOLLZSA-N 1 1 403.439 -0.027 20 0 HBADMO Cc1nc(Cl)nc(Cl)c1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264731 1071079029 /nfs/dbraw/zinc/07/90/29/1071079029.db2.gz UIVMRKKFOSDXJP-VPZHOCMTSA-N 1 1 403.226 -0.196 20 0 HBADMO CC1(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)n2)OCCO1 ZINC001171264767 1071079057 /nfs/dbraw/zinc/07/90/57/1071079057.db2.gz WHAPRZXBOACETH-HMTTWLPMSA-N 1 1 405.411 -0.987 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc4c(c3)C(=O)N(C3CC3)C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264777 1071079216 /nfs/dbraw/zinc/07/92/16/1071079216.db2.gz WOCXNQVFEFIZQE-KLICCBINSA-N 1 1 413.434 -0.483 20 0 HBADMO CCOC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cnc1C ZINC001171264780 1071079240 /nfs/dbraw/zinc/07/92/40/1071079240.db2.gz WTHRXWBZZZHOIX-DTZQCDIJSA-N 1 1 405.411 -0.721 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cc(F)cc(N4CCOCC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264792 1071078914 /nfs/dbraw/zinc/07/89/14/1071078914.db2.gz XJTJVIRXNPXQGW-VDHUWJSZSA-N 1 1 421.429 -0.625 20 0 HBADMO COC(=O)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(OC)c1 ZINC001171264796 1071078795 /nfs/dbraw/zinc/07/87/95/1071078795.db2.gz XSIIDZYSEBYLJV-BNEJOLLZSA-N 1 1 420.422 -0.877 20 0 HBADMO Cc1nc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)ncc1Br ZINC001171264797 1071078984 /nfs/dbraw/zinc/07/89/84/1071078984.db2.gz XSXQAUADFNOKIF-HJQYOEGKSA-N 1 1 413.232 -0.740 20 0 HBADMO Cc1nc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2c(=O)o1 ZINC001171264817 1071078940 /nfs/dbraw/zinc/07/89/40/1071078940.db2.gz YNEPMBCWMDOCMT-DTZQCDIJSA-N 1 1 401.379 -0.791 20 0 HBADMO CC1(c2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2)OCCO1 ZINC001171264823 1071079190 /nfs/dbraw/zinc/07/91/90/1071079190.db2.gz YVLJMTTUBXRKPQ-MWQQHZPXSA-N 1 1 404.423 -0.382 20 0 HBADMO COC(=O)CCc1ccccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171264837 1071080014 /nfs/dbraw/zinc/08/00/14/1071080014.db2.gz ZLVIRNOSTOJUTQ-BNEJOLLZSA-N 1 1 404.423 -0.495 20 0 HBADMO COC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc(OC)c1 ZINC001171266066 1071079891 /nfs/dbraw/zinc/07/98/91/1071079891.db2.gz AZGACWLZMSNWML-DTZQCDIJSA-N 1 1 406.395 -0.806 20 0 HBADMO CCOC(=O)c1cc(C)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cn1 ZINC001171266072 1071079964 /nfs/dbraw/zinc/07/99/64/1071079964.db2.gz BFKCSOYXWHTDPU-DTZQCDIJSA-N 1 1 405.411 -0.721 20 0 HBADMO CC1(C)Cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2C(=O)N1 ZINC001171266074 1071079594 /nfs/dbraw/zinc/07/95/94/1071079594.db2.gz BJILXNBUSWMRRK-GFOCRRMGSA-N 1 1 415.450 -0.371 20 0 HBADMO CCOC(=O)c1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cnc1F ZINC001171266075 1071079808 /nfs/dbraw/zinc/07/98/08/1071079808.db2.gz BJRRGNOHHFTZQW-BPGGGUHBSA-N 1 1 409.374 -0.890 20 0 HBADMO CN1c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2CNC1=O ZINC001171266093 1071079720 /nfs/dbraw/zinc/07/97/20/1071079720.db2.gz CAWTVQNRZOKCAV-DTZQCDIJSA-N 1 1 402.411 -0.776 20 0 HBADMO COC(=O)c1noc2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc21 ZINC001171266108 1071079940 /nfs/dbraw/zinc/07/99/40/1071079940.db2.gz CPGVKGZJUSHPND-UIBBOPPKSA-N 1 1 417.378 -0.673 20 0 HBADMO CCOC(=O)Cc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1F ZINC001171266209 1071079627 /nfs/dbraw/zinc/07/96/27/1071079627.db2.gz FHRJLVBLOUXAHG-BNEJOLLZSA-N 1 1 422.413 -0.356 20 0 HBADMO COC(=O)c1c(OC)ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1F ZINC001171266243 1071079752 /nfs/dbraw/zinc/07/97/52/1071079752.db2.gz FWPKUHWQRRMVKN-HMTTWLPMSA-N 1 1 424.385 -0.667 20 0 HBADMO C[N@H+]1CC[C@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cc2)C1 ZINC001171266380 1071079538 /nfs/dbraw/zinc/07/95/38/1071079538.db2.gz HMMWFIMWMDWJLQ-RSACRBQFSA-N 1 1 401.467 -0.016 20 0 HBADMO C[N@H+]1CC[C@@H](c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cc2)C1 ZINC001171266381 1071079837 /nfs/dbraw/zinc/07/98/37/1071079837.db2.gz HMMWFIMWMDWJLQ-UGNAIYESSA-N 1 1 401.467 -0.016 20 0 HBADMO NC(=O)c1ccc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc2n1 ZINC001171266392 1071079778 /nfs/dbraw/zinc/07/97/78/1071079778.db2.gz HZGCBCGBQDVFGY-GFOCRRMGSA-N 1 1 412.406 -0.788 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccnc(OC4CCOCC4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266396 1071080058 /nfs/dbraw/zinc/08/00/58/1071080058.db2.gz IDLTWIMGTZPQGH-BNEJOLLZSA-N 1 1 419.438 -0.648 20 0 HBADMO CN1Cc2c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cccc2NC1=O ZINC001171266513 1071079917 /nfs/dbraw/zinc/07/99/17/1071079917.db2.gz JBQBAZLDFDEKBW-DTZQCDIJSA-N 1 1 402.411 -0.624 20 0 HBADMO CCOC(=O)c1cccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1C ZINC001171266543 1071080414 /nfs/dbraw/zinc/08/04/14/1071080414.db2.gz JXZWVOGVISRNIZ-MWQQHZPXSA-N 1 1 404.423 -0.116 20 0 HBADMO COc1cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(NC(C)=O)cc1C ZINC001171266551 1071080723 /nfs/dbraw/zinc/08/07/23/1071080723.db2.gz KHGDWVBRDOKFID-VDHUWJSZSA-N 1 1 419.438 -0.326 20 0 HBADMO CC1(C)CNC(=O)c2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc21 ZINC001171266552 1071080787 /nfs/dbraw/zinc/08/07/87/1071080787.db2.gz KLKPCPQCIUJWAT-GFOCRRMGSA-N 1 1 415.450 -0.580 20 0 HBADMO COC(=O)c1cc2c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)[nH]ccc-2n1 ZINC001171266754 1071080386 /nfs/dbraw/zinc/08/03/86/1071080386.db2.gz KOGFOVMYUNQCOL-XKVFNRALSA-N 1 1 416.394 -0.938 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cnc(OCC4CCC4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266761 1071080442 /nfs/dbraw/zinc/08/04/42/1071080442.db2.gz KXHQILGPRHXRIT-GAEVZRCVSA-N 1 1 404.427 -0.632 20 0 HBADMO COC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c(C)c1C ZINC001171266800 1071079508 /nfs/dbraw/zinc/07/95/08/1071079508.db2.gz MTWGXHVRTJEJRZ-MWQQHZPXSA-N 1 1 404.423 -0.032 20 0 HBADMO COC(=O)COc1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1 ZINC001171266828 1071080579 /nfs/dbraw/zinc/08/05/79/1071080579.db2.gz NWVYTOLBJDZVKK-BASLNEPJSA-N 1 1 406.395 -0.883 20 0 HBADMO CC1(C)NC(=O)Cc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)ccc21 ZINC001171266843 1071080669 /nfs/dbraw/zinc/08/06/69/1071080669.db2.gz OVZBRQFEKZHDJA-BNEJOLLZSA-N 1 1 415.450 -0.528 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(F)c(-n4ccnc4)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266848 1071080357 /nfs/dbraw/zinc/08/03/57/1071080357.db2.gz PDPSISRNTACZOF-MWQQHZPXSA-N 1 1 402.386 -0.276 20 0 HBADMO CN(C)Cc1c(F)cc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1F ZINC001171266965 1071081376 /nfs/dbraw/zinc/08/13/76/1071081376.db2.gz PVPOBMMWIKHGCR-MWQQHZPXSA-N 1 1 411.409 -0.261 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([C@H]4CCC(=O)N4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266969 1071081200 /nfs/dbraw/zinc/08/12/00/1071081200.db2.gz QBIKEXWTRPKACS-ICTVWZTPSA-N 1 1 401.423 -0.484 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc([C@@H]4CCC(=O)N4)cc3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266970 1071081189 /nfs/dbraw/zinc/08/11/89/1071081189.db2.gz QBIKEXWTRPKACS-NYMASUJMSA-N 1 1 401.423 -0.484 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(=O)n(CC(F)(F)F)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266973 1071081267 /nfs/dbraw/zinc/08/12/67/1071081267.db2.gz QDLTUBJVHYEBMX-ICGCDAGXSA-N 1 1 417.344 -0.877 20 0 HBADMO [NH3+][C@H]1[C@H](n2ccc(Nc3cccc4c3CCC43OCCO3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171266975 1071081557 /nfs/dbraw/zinc/08/15/57/1071081557.db2.gz QKAPFIGVZFHPLS-VDHUWJSZSA-N 1 1 416.434 -0.455 20 0 HBADMO CC1(C)c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc2NC1=O ZINC001171267007 1071081283 /nfs/dbraw/zinc/08/12/83/1071081283.db2.gz SKZFGKFETKSCAO-DTZQCDIJSA-N 1 1 401.423 -0.371 20 0 HBADMO CCOC(=O)COc1ccccc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171267014 1071081320 /nfs/dbraw/zinc/08/13/20/1071081320.db2.gz SPHTXGWDLIGXPF-BNEJOLLZSA-N 1 1 420.422 -0.659 20 0 HBADMO COc1ccnc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cnc21 ZINC001171267017 1071081214 /nfs/dbraw/zinc/08/12/14/1071081214.db2.gz SYVSQVHUTFRAQY-ODVANORSSA-N 1 1 400.395 -0.649 20 0 HBADMO COC(=O)c1c[nH]c2c1cccc2Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171267035 1071081252 /nfs/dbraw/zinc/08/12/52/1071081252.db2.gz UJEBSFQCXQXSRB-ODVANORSSA-N 1 1 415.406 -0.333 20 0 HBADMO CC1(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cn2)OCCO1 ZINC001171267037 1071081466 /nfs/dbraw/zinc/08/14/66/1071081466.db2.gz UNUZQVYQKIYCRV-RAEVTNRLSA-N 1 1 405.411 -0.987 20 0 HBADMO CCOC(=O)c1ccc(OC)c(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)c1 ZINC001171267269 1071081231 /nfs/dbraw/zinc/08/12/31/1071081231.db2.gz VWCMAKPFSKGGBN-MWQQHZPXSA-N 1 1 420.422 -0.416 20 0 HBADMO CCOC(=O)c1ccc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)cc1OC ZINC001171267276 1071081489 /nfs/dbraw/zinc/08/14/89/1071081489.db2.gz WEMYVFPNHYWNIF-MWQQHZPXSA-N 1 1 420.422 -0.416 20 0 HBADMO CCn1nnc2c1ccc(Nc1ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n1)c2C ZINC001171267308 1071080754 /nfs/dbraw/zinc/08/07/54/1071080754.db2.gz WWGWYFUHQUCIKH-ODVANORSSA-N 1 1 401.427 -0.528 20 0 HBADMO COC(=O)c1nc2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2o1 ZINC001171267320 1071080633 /nfs/dbraw/zinc/08/06/33/1071080633.db2.gz WZWLJILUCUJDHY-XNIJJKJLSA-N 1 1 417.378 -0.673 20 0 HBADMO CN1Cc2cccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)c2NC1=O ZINC001171267322 1071080534 /nfs/dbraw/zinc/08/05/34/1071080534.db2.gz XBHHOTCUMKIZCU-UIBBOPPKSA-N 1 1 402.411 -0.624 20 0 HBADMO COCOc1ccc(OC)cc1Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[NH3+])c(=O)n1 ZINC001171267352 1071080556 /nfs/dbraw/zinc/08/05/56/1071080556.db2.gz YAFFOGNMJHJMOR-MWQQHZPXSA-N 1 1 408.411 -0.610 20 0 HBADMO CC1(C)Cc2c(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cccc2NC1=O ZINC001171267362 1071080610 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HBADMO C[C@@H]1C[C@@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC001171742244 1071168795 /nfs/dbraw/zinc/16/87/95/1071168795.db2.gz UPKBKQDGIPOGQP-NXHRZFHOSA-N 1 1 401.511 -0.169 20 0 HBADMO C[C@H]1C[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[N@H+]1Cc1ccccc1 ZINC001171742245 1071168544 /nfs/dbraw/zinc/16/85/44/1071168544.db2.gz UPKBKQDGIPOGQP-SZMVWBNQSA-N 1 1 401.511 -0.169 20 0 HBADMO C[C@H]1C[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC001171742245 1071168526 /nfs/dbraw/zinc/16/85/26/1071168526.db2.gz UPKBKQDGIPOGQP-SZMVWBNQSA-N 1 1 401.511 -0.169 20 0 HBADMO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]C1(C(N)=O)CCOCC1 ZINC001171820877 1071168743 /nfs/dbraw/zinc/16/87/43/1071168743.db2.gz SOLKAQLYDQWYFM-UHFFFAOYSA-N 1 1 419.525 -0.665 20 0 HBADMO CN(CCCNC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1)S(C)(=O)=O ZINC001171868069 1071170933 /nfs/dbraw/zinc/17/09/33/1071170933.db2.gz WDWLQPQTVRCGOQ-KSSFIOAISA-N 1 1 419.544 -0.326 20 0 HBADMO 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20 0 HBADMO NC(=O)CNC(=O)CNC(=O)CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079347 1071173539 /nfs/dbraw/zinc/17/35/39/1071173539.db2.gz NKVRAVDVYRLLGH-NNZMDNLPSA-N 1 1 401.511 -0.121 20 0 HBADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108587 1071174611 /nfs/dbraw/zinc/17/46/11/1071174611.db2.gz XWDXHLOMBDQAKD-ASVXTDKMSA-N 1 1 403.487 -0.367 20 0 HBADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[C@H](n3cnc4c3ncnc4N)O[C@H](CO)[C@H]1O)C2 ZINC001172108588 1071174451 /nfs/dbraw/zinc/17/44/51/1071174451.db2.gz XWDXHLOMBDQAKD-BGEFAGLPSA-N 1 1 403.487 -0.367 20 0 HBADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110336 1071174684 /nfs/dbraw/zinc/17/46/84/1071174684.db2.gz LJTNCLLDRBNVSG-ASVXTDKMSA-N 1 1 403.487 -0.367 20 0 HBADMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110336 1071174680 /nfs/dbraw/zinc/17/46/80/1071174680.db2.gz LJTNCLLDRBNVSG-ASVXTDKMSA-N 1 1 403.487 -0.367 20 0 HBADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110338 1071175303 /nfs/dbraw/zinc/17/53/03/1071175303.db2.gz LJTNCLLDRBNVSG-BGEFAGLPSA-N 1 1 403.487 -0.367 20 0 HBADMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@H]1[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]1CO)C2 ZINC001172110338 1071175297 /nfs/dbraw/zinc/17/52/97/1071175297.db2.gz LJTNCLLDRBNVSG-BGEFAGLPSA-N 1 1 403.487 -0.367 20 0 HBADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113263 1071175258 /nfs/dbraw/zinc/17/52/58/1071175258.db2.gz HZRSBNVREPTEBD-KWWJQKEASA-N 1 1 404.511 -0.129 20 0 HBADMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O)C2 ZINC001172113270 1071175194 /nfs/dbraw/zinc/17/51/94/1071175194.db2.gz HZRSBNVREPTEBD-MGGVOPSTSA-N 1 1 404.511 -0.129 20 0 HBADMO COCC(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C1C[C@@H]3COC[C@H](C1)N3C)CCC2 ZINC001172136743 1071174354 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CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1[C@@H]1CCN2C(=O)CC[C@H]2C1)C(=O)NCC(N)=O ZINC001172181636 1071176223 /nfs/dbraw/zinc/17/62/23/1071176223.db2.gz ZIRKTPXHSIHUGV-YVSFHVDLSA-N 1 1 421.542 -0.263 20 0 HBADMO COCCC[NH+]1CCC(n2cncc2C[C@H](N)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001172249562 1071177259 /nfs/dbraw/zinc/17/72/59/1071177259.db2.gz OAIFHMCCZHGGKI-ROUUACIJSA-N 1 1 406.531 -0.097 20 0 HBADMO COC(=O)[C@H]1C[C@H](N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264728 1071176997 /nfs/dbraw/zinc/17/69/97/1071176997.db2.gz GCRLKANDHHKQTL-ARAZSQDJSA-N 1 1 403.483 -0.710 20 0 HBADMO COC(=O)[C@H]1C[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264751 1071177029 /nfs/dbraw/zinc/17/70/29/1071177029.db2.gz GCRLKANDHHKQTL-MCEUPANISA-N 1 1 403.483 -0.710 20 0 HBADMO COC(=O)[C@H]1C[C@H](N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)C[C@H]1C(=O)OCc1ccccc1 ZINC001172264752 1071176952 /nfs/dbraw/zinc/17/69/52/1071176952.db2.gz GCRLKANDHHKQTL-PCCRXHMLSA-N 1 1 403.483 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CN(C[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1cnn(C)c1)C(=O)OC(C)(C)C ZINC001175390077 1071207405 /nfs/dbraw/zinc/20/74/05/1071207405.db2.gz OLWFWBFJFQADGN-ZDUSSCGKSA-N 1 1 405.521 -0.142 20 0 HBADMO CN(C[C@@H](O)C[N@H+](C)CCNS(=O)(=O)c1cnn(C)c1)C(=O)OC(C)(C)C ZINC001175390077 1071207398 /nfs/dbraw/zinc/20/73/98/1071207398.db2.gz OLWFWBFJFQADGN-ZDUSSCGKSA-N 1 1 405.521 -0.142 20 0 HBADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001175436113 1071207947 /nfs/dbraw/zinc/20/79/47/1071207947.db2.gz GCFBKDGKEYPEOW-HONMWMINSA-N 1 1 406.464 -0.842 20 0 HBADMO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001175436113 1071207937 /nfs/dbraw/zinc/20/79/37/1071207937.db2.gz GCFBKDGKEYPEOW-HONMWMINSA-N 1 1 406.464 -0.842 20 0 HBADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001175436114 1071208153 /nfs/dbraw/zinc/20/81/53/1071208153.db2.gz GCFBKDGKEYPEOW-LEWSCRJBSA-N 1 1 406.464 -0.842 20 0 HBADMO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001175436114 1071208143 /nfs/dbraw/zinc/20/81/43/1071208143.db2.gz GCFBKDGKEYPEOW-LEWSCRJBSA-N 1 1 406.464 -0.842 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 ZINC001175531161 1071209359 /nfs/dbraw/zinc/20/93/59/1071209359.db2.gz MPJKPHKSZBYLBW-FQEVSTJZSA-N 1 1 405.499 -0.178 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 ZINC001175531161 1071209352 /nfs/dbraw/zinc/20/93/52/1071209352.db2.gz MPJKPHKSZBYLBW-FQEVSTJZSA-N 1 1 405.499 -0.178 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 ZINC001175531163 1071209301 /nfs/dbraw/zinc/20/93/01/1071209301.db2.gz MPJKPHKSZBYLBW-HXUWFJFHSA-N 1 1 405.499 -0.178 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CCNC(=O)c3ccc[nH]3)C2)C1 ZINC001175531163 1071209292 /nfs/dbraw/zinc/20/92/92/1071209292.db2.gz MPJKPHKSZBYLBW-HXUWFJFHSA-N 1 1 405.499 -0.178 20 0 HBADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[NH2+]C2(C(N)=O)CCS(=O)(=O)CC2)CC1 ZINC001175541783 1071210038 /nfs/dbraw/zinc/21/00/38/1071210038.db2.gz DUTFXOUOEIEPQT-UHFFFAOYSA-N 1 1 416.544 -0.886 20 0 HBADMO COc1ccc(NC(=O)C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001175569157 1071211123 /nfs/dbraw/zinc/21/11/23/1071211123.db2.gz JSWVTRJQGYTGCO-BETUJISGSA-N 1 1 401.485 -0.583 20 0 HBADMO COc1ccc(NC(=O)C[N@@H+]2C[C@H](CO)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001175569157 1071211115 /nfs/dbraw/zinc/21/11/15/1071211115.db2.gz JSWVTRJQGYTGCO-BETUJISGSA-N 1 1 401.485 -0.583 20 0 HBADMO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N=C2CCC[N@@H+](C)C2)[C@H](O)[C@@H]1O ZINC001175577453 1071211012 /nfs/dbraw/zinc/21/10/12/1071211012.db2.gz TWGWQPGYMQDHCD-MOROJQBDSA-N 1 1 403.443 -0.787 20 0 HBADMO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3N=C2CCC[N@H+](C)C2)[C@H](O)[C@@H]1O ZINC001175577453 1071211001 /nfs/dbraw/zinc/21/10/01/1071211001.db2.gz TWGWQPGYMQDHCD-MOROJQBDSA-N 1 1 403.443 -0.787 20 0 HBADMO O=C(Cc1ccn[nH]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001175723981 1071213217 /nfs/dbraw/zinc/21/32/17/1071213217.db2.gz VFMKACGTOZSAAK-LSDHHAIUSA-N 1 1 402.480 -0.216 20 0 HBADMO NS(=O)(=O)N1CC[NH+](C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001175742083 1071213906 /nfs/dbraw/zinc/21/39/06/1071213906.db2.gz TXOWIXPQNOULGA-GOSISDBHSA-N 1 1 412.512 -0.029 20 0 HBADMO NS(=O)(=O)N1CC[NH+](C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC001175742086 1071214058 /nfs/dbraw/zinc/21/40/58/1071214058.db2.gz TXOWIXPQNOULGA-SFHVURJKSA-N 1 1 412.512 -0.029 20 0 HBADMO C[N@@H+](CCNC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2)CCOCCO ZINC001175821384 1071214648 /nfs/dbraw/zinc/21/46/48/1071214648.db2.gz BBORMHREYJMDSC-DNVCBOLYSA-N 1 1 401.504 -0.073 20 0 HBADMO CN(CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ncnc2[nH]cnc21 ZINC001175933593 1071215517 /nfs/dbraw/zinc/21/55/17/1071215517.db2.gz RLRBZAAUFYJKPV-HNNXBMFYSA-N 1 1 402.503 -0.298 20 0 HBADMO CN(CC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ncnc2[nH]cnc21 ZINC001175933593 1071215514 /nfs/dbraw/zinc/21/55/14/1071215514.db2.gz RLRBZAAUFYJKPV-HNNXBMFYSA-N 1 1 402.503 -0.298 20 0 HBADMO CN(CC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ncnc2nc[nH]c21 ZINC001175933593 1071215511 /nfs/dbraw/zinc/21/55/11/1071215511.db2.gz RLRBZAAUFYJKPV-HNNXBMFYSA-N 1 1 402.503 -0.298 20 0 HBADMO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ncnc2[nH]cnc21 ZINC001175933612 1071215488 /nfs/dbraw/zinc/21/54/88/1071215488.db2.gz RLRBZAAUFYJKPV-OAHLLOKOSA-N 1 1 402.503 -0.298 20 0 HBADMO CN(CC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)c1ncnc2[nH]cnc21 ZINC001175933612 1071215480 /nfs/dbraw/zinc/21/54/80/1071215480.db2.gz RLRBZAAUFYJKPV-OAHLLOKOSA-N 1 1 402.503 -0.298 20 0 HBADMO CN(CC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ncnc2nc[nH]c21 ZINC001175933612 1071215478 /nfs/dbraw/zinc/21/54/78/1071215478.db2.gz RLRBZAAUFYJKPV-OAHLLOKOSA-N 1 1 402.503 -0.298 20 0 HBADMO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC001175934238 1071215463 /nfs/dbraw/zinc/21/54/63/1071215463.db2.gz WXRPGBVUDFYMSQ-INIZCTEOSA-N 1 1 411.528 -0.484 20 0 HBADMO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cn1 ZINC001175934244 1071215542 /nfs/dbraw/zinc/21/55/42/1071215542.db2.gz WXRPGBVUDFYMSQ-MRXNPFEDSA-N 1 1 411.528 -0.484 20 0 HBADMO O=C(COCC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)NCc1cccnc1 ZINC001175934605 1071215410 /nfs/dbraw/zinc/21/54/10/1071215410.db2.gz YDFNENRWLVTGKO-IBGZPJMESA-N 1 1 419.526 -0.373 20 0 HBADMO O=C(COCC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)NCc1cccnc1 ZINC001175934607 1071215533 /nfs/dbraw/zinc/21/55/33/1071215533.db2.gz YDFNENRWLVTGKO-LJQANCHMSA-N 1 1 419.526 -0.373 20 0 HBADMO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001175955899 1071216096 /nfs/dbraw/zinc/21/60/96/1071216096.db2.gz QNLDIJUUJBXGGZ-AWEZNQCLSA-N 1 1 404.533 -0.063 20 0 HBADMO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001175955899 1071216090 /nfs/dbraw/zinc/21/60/90/1071216090.db2.gz QNLDIJUUJBXGGZ-AWEZNQCLSA-N 1 1 404.533 -0.063 20 0 HBADMO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+]2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001175955900 1071216162 /nfs/dbraw/zinc/21/61/62/1071216162.db2.gz QNLDIJUUJBXGGZ-CQSZACIVSA-N 1 1 404.533 -0.063 20 0 HBADMO CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001175955900 1071216159 /nfs/dbraw/zinc/21/61/59/1071216159.db2.gz QNLDIJUUJBXGGZ-CQSZACIVSA-N 1 1 404.533 -0.063 20 0 HBADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001175956288 1071215563 /nfs/dbraw/zinc/21/55/63/1071215563.db2.gz SUVMJVZBLNFUKA-HNNXBMFYSA-N 1 1 402.561 -0.037 20 0 HBADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001175956288 1071215559 /nfs/dbraw/zinc/21/55/59/1071215559.db2.gz SUVMJVZBLNFUKA-HNNXBMFYSA-N 1 1 402.561 -0.037 20 0 HBADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001175956289 1071215381 /nfs/dbraw/zinc/21/53/81/1071215381.db2.gz SUVMJVZBLNFUKA-OAHLLOKOSA-N 1 1 402.561 -0.037 20 0 HBADMO CC(C)N(C)C(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001175956289 1071215373 /nfs/dbraw/zinc/21/53/73/1071215373.db2.gz SUVMJVZBLNFUKA-OAHLLOKOSA-N 1 1 402.561 -0.037 20 0 HBADMO O=C(C[NH+]1CCC(CO)(CO)CC1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC001175983226 1071216217 /nfs/dbraw/zinc/21/62/17/1071216217.db2.gz NIKOSHJEPSXQMT-UHFFFAOYSA-N 1 1 405.495 -0.158 20 0 HBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+]C2(C(=O)NC)CCOCC2)C1=O ZINC001176183311 1071217980 /nfs/dbraw/zinc/21/79/80/1071217980.db2.gz BEADIYYTPDWFIY-FQEVSTJZSA-N 1 1 417.466 -0.240 20 0 HBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH2+]C2(C(=O)NC)CCOCC2)C1=O ZINC001176183323 1071217967 /nfs/dbraw/zinc/21/79/67/1071217967.db2.gz BEADIYYTPDWFIY-HXUWFJFHSA-N 1 1 417.466 -0.240 20 0 HBADMO CNC(=O)C1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)CCOCC1 ZINC001176184159 1071217941 /nfs/dbraw/zinc/21/79/41/1071217941.db2.gz GRTVWONYWUGAKB-GFCCVEGCSA-N 1 1 410.496 -0.504 20 0 HBADMO CNC(=O)C1([NH2+]CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)CCOCC1 ZINC001176184219 1071218100 /nfs/dbraw/zinc/21/81/00/1071218100.db2.gz GRTVWONYWUGAKB-LBPRGKRZSA-N 1 1 410.496 -0.504 20 0 HBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001176344314 1071219377 /nfs/dbraw/zinc/21/93/77/1071219377.db2.gz BRSPIDVSUIKBAC-GOSISDBHSA-N 1 1 401.471 -0.586 20 0 HBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001176345530 1071219533 /nfs/dbraw/zinc/21/95/33/1071219533.db2.gz PWHQXFXULKEFBO-CYBMUJFWSA-N 1 1 410.456 -0.921 20 0 HBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001176355904 1071221492 /nfs/dbraw/zinc/22/14/92/1071221492.db2.gz IPDYZKSTULCVNJ-DZJNRPSUSA-N 1 1 413.482 -0.095 20 0 HBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001176357109 1071221408 /nfs/dbraw/zinc/22/14/08/1071221408.db2.gz QFJXBCKUFDJNGV-OAHLLOKOSA-N 1 1 417.470 -0.679 20 0 HBADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]([C@H]2CCCO2)C1 ZINC001176381495 1071219808 /nfs/dbraw/zinc/21/98/08/1071219808.db2.gz OJLOJRSCBSAZKS-BZUAXINKSA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]([C@H]2CCCO2)C1 ZINC001176381495 1071219801 /nfs/dbraw/zinc/21/98/01/1071219801.db2.gz OJLOJRSCBSAZKS-BZUAXINKSA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]([C@@H]2CCCO2)C1 ZINC001176381501 1071220402 /nfs/dbraw/zinc/22/04/02/1071220402.db2.gz OJLOJRSCBSAZKS-OAGGEKHMSA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@@H]([C@@H]2CCCO2)C1 ZINC001176381501 1071220392 /nfs/dbraw/zinc/22/03/92/1071220392.db2.gz OJLOJRSCBSAZKS-OAGGEKHMSA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]([C@H]2CCCO2)C1 ZINC001176381503 1071220707 /nfs/dbraw/zinc/22/07/07/1071220707.db2.gz OJLOJRSCBSAZKS-OWCLPIDISA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]([C@H]2CCCO2)C1 ZINC001176381503 1071220701 /nfs/dbraw/zinc/22/07/01/1071220701.db2.gz OJLOJRSCBSAZKS-OWCLPIDISA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]([C@@H]2CCCO2)C1 ZINC001176381506 1071220321 /nfs/dbraw/zinc/22/03/21/1071220321.db2.gz OJLOJRSCBSAZKS-PMPSAXMXSA-N 1 1 419.544 -0.183 20 0 HBADMO COC(=O)[C@@H]1CC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)[C@H]([C@@H]2CCCO2)C1 ZINC001176381506 1071220311 /nfs/dbraw/zinc/22/03/11/1071220311.db2.gz OJLOJRSCBSAZKS-PMPSAXMXSA-N 1 1 419.544 -0.183 20 0 HBADMO CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001176384995 1071220722 /nfs/dbraw/zinc/22/07/22/1071220722.db2.gz IPARBTJWCXUNFT-QGZVFWFLSA-N 1 1 420.495 -0.597 20 0 HBADMO CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001176413394 1071224927 /nfs/dbraw/zinc/22/49/27/1071224927.db2.gz 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ANVSXFUPSMKQJX-HPFXQQBRSA-N 1 1 411.524 -0.310 20 0 HBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)[C@@H](C)O)cc1 ZINC001176532588 1071227960 /nfs/dbraw/zinc/22/79/60/1071227960.db2.gz ANVSXFUPSMKQJX-KYHPRHEASA-N 1 1 411.524 -0.310 20 0 HBADMO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)[C@H](C)O)cc1 ZINC001176532589 1071227719 /nfs/dbraw/zinc/22/77/19/1071227719.db2.gz ANVSXFUPSMKQJX-LISAXSMJSA-N 1 1 411.524 -0.310 20 0 HBADMO O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001176534297 1071227984 /nfs/dbraw/zinc/22/79/84/1071227984.db2.gz RVWSBQKUOOKAPR-DLBZAZTESA-N 1 1 409.508 -0.011 20 0 HBADMO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC001176534458 1071227846 /nfs/dbraw/zinc/22/78/46/1071227846.db2.gz VEGHUYXLDMEPAY-JKSUJKDBSA-N 1 1 410.496 -0.409 20 0 HBADMO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176534517 1071227901 /nfs/dbraw/zinc/22/79/01/1071227901.db2.gz WYTGQXSJPQIBPK-LSDHHAIUSA-N 1 1 412.512 -0.673 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)C[C@H](O)CNC3=O)ccc1C ZINC001176728691 1071231426 /nfs/dbraw/zinc/23/14/26/1071231426.db2.gz UQYCGIWDAPAUHI-HNNXBMFYSA-N 1 1 424.523 -0.195 20 0 HBADMO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)C[C@@H](O)CNC3=O)ccc1C ZINC001176728692 1071231401 /nfs/dbraw/zinc/23/14/01/1071231401.db2.gz UQYCGIWDAPAUHI-OAHLLOKOSA-N 1 1 424.523 -0.195 20 0 HBADMO CC[N@@H+](CCC(=O)NC)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC001176734952 1071231536 /nfs/dbraw/zinc/23/15/36/1071231536.db2.gz LTCNRMDVTPLTCB-IBGZPJMESA-N 1 1 405.455 -0.049 20 0 HBADMO CC[N@H+](CCC(=O)NC)CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC001176734952 1071231525 /nfs/dbraw/zinc/23/15/25/1071231525.db2.gz LTCNRMDVTPLTCB-IBGZPJMESA-N 1 1 405.455 -0.049 20 0 HBADMO CC[N@@H+](CCC(=O)NC)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC001176734958 1071231509 /nfs/dbraw/zinc/23/15/09/1071231509.db2.gz LTCNRMDVTPLTCB-LJQANCHMSA-N 1 1 405.455 -0.049 20 0 HBADMO CC[N@H+](CCC(=O)NC)CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC001176734958 1071231501 /nfs/dbraw/zinc/23/15/01/1071231501.db2.gz LTCNRMDVTPLTCB-LJQANCHMSA-N 1 1 405.455 -0.049 20 0 HBADMO COC(=O)C1(C2(O)CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CCC1 ZINC001176808754 1071238407 /nfs/dbraw/zinc/23/84/07/1071238407.db2.gz RUMHLSQRKASECC-UHFFFAOYSA-N 1 1 419.544 -0.446 20 0 HBADMO CC(C)N(C(=O)Cc1nn[nH]n1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001176840539 1071240590 /nfs/dbraw/zinc/24/05/90/1071240590.db2.gz QWEAAERPJBDMAB-UHFFFAOYSA-N 1 1 401.475 -0.501 20 0 HBADMO COC(=O)[C@H](CCCC[NH3+])N(C(=O)Cc1nn[nH]n1)S(=O)(=O)c1ccc(C)cc1 ZINC001176847430 1071242717 /nfs/dbraw/zinc/24/27/17/1071242717.db2.gz WLNKKOMRBHNWTR-AWEZNQCLSA-N 1 1 424.483 -0.061 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@@H](CO)[C@H](CCO)C3)C2=O)cc1 ZINC001176965758 1071244308 /nfs/dbraw/zinc/24/43/08/1071244308.db2.gz QVQXGZWAEGGLQP-CKNLXJGOSA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@@H](CO)[C@H](CCO)C3)C2=O)cc1 ZINC001176965758 1071244306 /nfs/dbraw/zinc/24/43/06/1071244306.db2.gz QVQXGZWAEGGLQP-CKNLXJGOSA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H](CO)[C@H](CCO)C3)C2=O)cc1 ZINC001176965759 1071244263 /nfs/dbraw/zinc/24/42/63/1071244263.db2.gz QVQXGZWAEGGLQP-JZKQVHKSSA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](CO)[C@H](CCO)C3)C2=O)cc1 ZINC001176965759 1071244259 /nfs/dbraw/zinc/24/42/59/1071244259.db2.gz QVQXGZWAEGGLQP-JZKQVHKSSA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H](CO)[C@@H](CCO)C3)C2=O)cc1 ZINC001176965760 1071244302 /nfs/dbraw/zinc/24/43/02/1071244302.db2.gz QVQXGZWAEGGLQP-MNVSYLFESA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](CO)[C@@H](CCO)C3)C2=O)cc1 ZINC001176965760 1071244298 /nfs/dbraw/zinc/24/42/98/1071244298.db2.gz QVQXGZWAEGGLQP-MNVSYLFESA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](CCO)[C@H](CO)C3)C2=O)cc1 ZINC001176965761 1071244252 /nfs/dbraw/zinc/24/42/52/1071244252.db2.gz QVQXGZWAEGGLQP-YRVVQQKDSA-N 1 1 420.466 -0.584 20 0 HBADMO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H](CCO)[C@H](CO)C3)C2=O)cc1 ZINC001176965761 1071244250 /nfs/dbraw/zinc/24/42/50/1071244250.db2.gz QVQXGZWAEGGLQP-YRVVQQKDSA-N 1 1 420.466 -0.584 20 0 HBADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CN1CCN(c3ncccn3)CC1)CC2 ZINC001176975216 1071244328 /nfs/dbraw/zinc/24/43/28/1071244328.db2.gz KCPNWTNLNVYQNS-UHFFFAOYSA-N 1 1 415.542 -0.198 20 0 HBADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)CN3CCN(c4ncccn4)CC3)CC[C@@H]2C1 ZINC001176979432 1071244898 /nfs/dbraw/zinc/24/48/98/1071244898.db2.gz HZFVQYZCWVLCNP-RTBURBONSA-N 1 1 418.542 -0.206 20 0 HBADMO Cn1nnnc1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001177018679 1071246830 /nfs/dbraw/zinc/24/68/30/1071246830.db2.gz URQDYXJZMDXTLG-INIZCTEOSA-N 1 1 405.503 -0.371 20 0 HBADMO Cn1nnnc1C1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001177018821 1071247047 /nfs/dbraw/zinc/24/70/47/1071247047.db2.gz URQDYXJZMDXTLG-MRXNPFEDSA-N 1 1 405.503 -0.371 20 0 HBADMO CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092111 1071249135 /nfs/dbraw/zinc/24/91/35/1071249135.db2.gz POGFERSLHCTAKM-GFCCVEGCSA-N 1 1 400.440 -0.490 20 0 HBADMO CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001177092112 1071248946 /nfs/dbraw/zinc/24/89/46/1071248946.db2.gz POGFERSLHCTAKM-LBPRGKRZSA-N 1 1 400.440 -0.490 20 0 HBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21)Cc1ccncc1 ZINC001177103295 1071249032 /nfs/dbraw/zinc/24/90/32/1071249032.db2.gz ZHCSNUWHRJBCPW-HJWJTTGWSA-N 1 1 405.503 -0.573 20 0 HBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21)Cc1ccncc1 ZINC001177103296 1071250204 /nfs/dbraw/zinc/25/02/04/1071250204.db2.gz ZHCSNUWHRJBCPW-ORQFMDKSSA-N 1 1 405.503 -0.573 20 0 HBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21)Cc1ccncc1 ZINC001177103297 1071250116 /nfs/dbraw/zinc/25/01/16/1071250116.db2.gz ZHCSNUWHRJBCPW-PQEBFOHHSA-N 1 1 405.503 -0.573 20 0 HBADMO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21)Cc1ccncc1 ZINC001177103298 1071250166 /nfs/dbraw/zinc/25/01/66/1071250166.db2.gz ZHCSNUWHRJBCPW-QSPRXWTASA-N 1 1 405.503 -0.573 20 0 HBADMO C[C@H](NC(=O)Cn1cnnn1)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC001177281766 1071254417 /nfs/dbraw/zinc/25/44/17/1071254417.db2.gz CILTZGUOVQAQRA-INIZCTEOSA-N 1 1 415.498 -0.025 20 0 HBADMO NC(=O)Cn1cc(CNCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)nn1 ZINC001177334104 1071255124 /nfs/dbraw/zinc/25/51/24/1071255124.db2.gz KAFJDIXOJNVNTI-UHFFFAOYSA-N 1 1 401.471 -0.286 20 0 HBADMO Cc1nc(CC(=O)N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)n[nH]1 ZINC001177443343 1071261969 /nfs/dbraw/zinc/26/19/69/1071261969.db2.gz VUZWQTBOSRKZAA-UHFFFAOYSA-N 1 1 408.444 -0.566 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CCC(=O)Nc3nncs3)C2)C1 ZINC001177444454 1071261821 /nfs/dbraw/zinc/26/18/21/1071261821.db2.gz GLWYEQPTRCNZOA-GOSISDBHSA-N 1 1 424.527 -0.056 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CCC(=O)Nc3nncs3)C2)C1 ZINC001177444454 1071261808 /nfs/dbraw/zinc/26/18/08/1071261808.db2.gz GLWYEQPTRCNZOA-GOSISDBHSA-N 1 1 424.527 -0.056 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CCC(=O)Nc3nncs3)C2)C1 ZINC001177444455 1071262014 /nfs/dbraw/zinc/26/20/14/1071262014.db2.gz GLWYEQPTRCNZOA-SFHVURJKSA-N 1 1 424.527 -0.056 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CCC(=O)Nc3nncs3)C2)C1 ZINC001177444455 1071262004 /nfs/dbraw/zinc/26/20/04/1071262004.db2.gz GLWYEQPTRCNZOA-SFHVURJKSA-N 1 1 424.527 -0.056 20 0 HBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001177565997 1071263365 /nfs/dbraw/zinc/26/33/65/1071263365.db2.gz MQZOXADZDKIZPW-MOPGFXCFSA-N 1 1 415.494 -0.649 20 0 HBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001177566001 1071263484 /nfs/dbraw/zinc/26/34/84/1071263484.db2.gz MQZOXADZDKIZPW-OALUTQOASA-N 1 1 415.494 -0.649 20 0 HBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cnn(C[C@H](O)CO)c2)CC1 ZINC001177566003 1071263458 /nfs/dbraw/zinc/26/34/58/1071263458.db2.gz MQZOXADZDKIZPW-RBUKOAKNSA-N 1 1 415.494 -0.649 20 0 HBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cnn(C[C@@H](O)CO)c2)CC1 ZINC001177566004 1071263417 /nfs/dbraw/zinc/26/34/17/1071263417.db2.gz MQZOXADZDKIZPW-RTBURBONSA-N 1 1 415.494 -0.649 20 0 HBADMO CN(C)c1nc(N)nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)n1 ZINC001177567152 1071263445 /nfs/dbraw/zinc/26/34/45/1071263445.db2.gz RUYUAKVZRWLIPP-HNNXBMFYSA-N 1 1 412.498 -0.365 20 0 HBADMO CN(C)c1nc(N)nc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)n1 ZINC001177567175 1071263566 /nfs/dbraw/zinc/26/35/66/1071263566.db2.gz RUYUAKVZRWLIPP-OAHLLOKOSA-N 1 1 412.498 -0.365 20 0 HBADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001177568371 1071263403 /nfs/dbraw/zinc/26/34/03/1071263403.db2.gz WHVCEZIEAVUUJB-HNNXBMFYSA-N 1 1 422.436 -0.065 20 0 HBADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001177568375 1071263389 /nfs/dbraw/zinc/26/33/89/1071263389.db2.gz WHVCEZIEAVUUJB-OAHLLOKOSA-N 1 1 422.436 -0.065 20 0 HBADMO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001177579507 1071264449 /nfs/dbraw/zinc/26/44/49/1071264449.db2.gz PEOUUTXIPOLHHO-ZFWWWQNUSA-N 1 1 412.512 -0.138 20 0 HBADMO COc1ccc(S(=O)(=O)NCC(=O)N2CCN(C3C[NH+](C)C3)CC2)cc1OC ZINC001177626365 1071264878 /nfs/dbraw/zinc/26/48/78/1071264878.db2.gz ALEAGHLIFIEEPR-UHFFFAOYSA-N 1 1 412.512 -0.560 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)C1 ZINC001177626611 1071265102 /nfs/dbraw/zinc/26/51/02/1071265102.db2.gz CIVCFFLWYXQYSQ-UHFFFAOYSA-N 1 1 408.524 -0.221 20 0 HBADMO COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C3C[NH+](C)C3)CC2)c1 ZINC001177627662 1071265258 /nfs/dbraw/zinc/26/52/58/1071265258.db2.gz KQITTWIITKHSPE-UHFFFAOYSA-N 1 1 410.540 -0.008 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)C1 ZINC001177627801 1071264893 /nfs/dbraw/zinc/26/48/93/1071264893.db2.gz LVWHSCGRPKGLBR-UHFFFAOYSA-N 1 1 407.540 -0.060 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1 ZINC001177633364 1071265056 /nfs/dbraw/zinc/26/50/56/1071265056.db2.gz CAJKVSJTCBAEEY-UHFFFAOYSA-N 1 1 400.527 -0.031 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)C1 ZINC001177633807 1071265137 /nfs/dbraw/zinc/26/51/37/1071265137.db2.gz HXYSVUJQRIDDLX-AWEZNQCLSA-N 1 1 421.523 -0.855 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)C1 ZINC001177633808 1071264936 /nfs/dbraw/zinc/26/49/36/1071264936.db2.gz HXYSVUJQRIDDLX-CQSZACIVSA-N 1 1 421.523 -0.855 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)C1 ZINC001177634439 1071265225 /nfs/dbraw/zinc/26/52/25/1071265225.db2.gz RVWJOWZDFLRQTK-UHFFFAOYSA-N 1 1 408.524 -0.221 20 0 HBADMO C[C@@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001177634450 1071265274 /nfs/dbraw/zinc/26/52/74/1071265274.db2.gz SFXBNNIABODOPJ-HNNXBMFYSA-N 1 1 409.531 -0.088 20 0 HBADMO C[C@H](C(=O)N1CCN(C2C[NH+](C)C2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001177634451 1071264907 /nfs/dbraw/zinc/26/49/07/1071264907.db2.gz SFXBNNIABODOPJ-OAHLLOKOSA-N 1 1 409.531 -0.088 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1 ZINC001177634456 1071265025 /nfs/dbraw/zinc/26/50/25/1071265025.db2.gz SLUUSOFRRQVPQM-INIZCTEOSA-N 1 1 409.531 -0.040 20 0 HBADMO C[NH+]1CC(N2CCN(C(=O)CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC2)C1 ZINC001177634457 1071265622 /nfs/dbraw/zinc/26/56/22/1071265622.db2.gz SLUUSOFRRQVPQM-MRXNPFEDSA-N 1 1 409.531 -0.040 20 0 HBADMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001177735828 1071268513 /nfs/dbraw/zinc/26/85/13/1071268513.db2.gz UVLVDBIBOGXYPT-UHFFFAOYSA-N 1 1 415.491 -0.493 20 0 HBADMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001177735828 1071268498 /nfs/dbraw/zinc/26/84/98/1071268498.db2.gz UVLVDBIBOGXYPT-UHFFFAOYSA-N 1 1 415.491 -0.493 20 0 HBADMO Cn1cc(C[NH2+]CCS(=O)(=O)N2CCOCC2)c(I)n1 ZINC001177753961 1071271302 /nfs/dbraw/zinc/27/13/02/1071271302.db2.gz ZMCQPZGVWYFLRZ-UHFFFAOYSA-N 1 1 414.269 -0.224 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)Cc3csc(NC=O)n3)C2)C1 ZINC001178031498 1071278091 /nfs/dbraw/zinc/27/80/91/1071278091.db2.gz OSBPGAWDSCDNSI-GOSISDBHSA-N 1 1 409.512 -0.059 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)Cc3csc(NC=O)n3)C2)C1 ZINC001178031498 1071278077 /nfs/dbraw/zinc/27/80/77/1071278077.db2.gz OSBPGAWDSCDNSI-GOSISDBHSA-N 1 1 409.512 -0.059 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3csc(NC=O)n3)C2)C1 ZINC001178031502 1071278251 /nfs/dbraw/zinc/27/82/51/1071278251.db2.gz OSBPGAWDSCDNSI-SFHVURJKSA-N 1 1 409.512 -0.059 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)Cc3csc(NC=O)n3)C2)C1 ZINC001178031502 1071278245 /nfs/dbraw/zinc/27/82/45/1071278245.db2.gz OSBPGAWDSCDNSI-SFHVURJKSA-N 1 1 409.512 -0.059 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C3CN(c4cnccn4)C3)C2)C1 ZINC001178091888 1071279751 /nfs/dbraw/zinc/27/97/51/1071279751.db2.gz KJTHRKIPSLDCTP-FQEVSTJZSA-N 1 1 402.499 -0.400 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C3CN(c4cnccn4)C3)C2)C1 ZINC001178091888 1071279741 /nfs/dbraw/zinc/27/97/41/1071279741.db2.gz KJTHRKIPSLDCTP-FQEVSTJZSA-N 1 1 402.499 -0.400 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C3CN(c4cnccn4)C3)C2)C1 ZINC001178091889 1071279854 /nfs/dbraw/zinc/27/98/54/1071279854.db2.gz KJTHRKIPSLDCTP-HXUWFJFHSA-N 1 1 402.499 -0.400 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C3CN(c4cnccn4)C3)C2)C1 ZINC001178091889 1071279852 /nfs/dbraw/zinc/27/98/52/1071279852.db2.gz KJTHRKIPSLDCTP-HXUWFJFHSA-N 1 1 402.499 -0.400 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115015 1071278891 /nfs/dbraw/zinc/27/88/91/1071278891.db2.gz JBZDZZPJVWDBSG-KBPBESRZSA-N 1 1 422.573 -0.507 20 0 HBADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115016 1071278967 /nfs/dbraw/zinc/27/89/67/1071278967.db2.gz JBZDZZPJVWDBSG-KGLIPLIRSA-N 1 1 422.573 -0.507 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115017 1071279143 /nfs/dbraw/zinc/27/91/43/1071279143.db2.gz JBZDZZPJVWDBSG-UONOGXRCSA-N 1 1 422.573 -0.507 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCS(=O)(=O)N=S(C)(C)=O)CC1=O ZINC001178115018 1071279671 /nfs/dbraw/zinc/27/96/71/1071279671.db2.gz JBZDZZPJVWDBSG-ZIAGYGMSSA-N 1 1 422.573 -0.507 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251138 1071282118 /nfs/dbraw/zinc/28/21/18/1071282118.db2.gz CTFVCZNWIJWYCY-DAYGRLMNSA-N 1 1 401.529 -0.361 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251139 1071282216 /nfs/dbraw/zinc/28/22/16/1071282216.db2.gz CTFVCZNWIJWYCY-HDMKZQKVSA-N 1 1 401.529 -0.361 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251140 1071282349 /nfs/dbraw/zinc/28/23/49/1071282349.db2.gz CTFVCZNWIJWYCY-IIDMSEBBSA-N 1 1 401.529 -0.361 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CC1=O ZINC001178251141 1071282149 /nfs/dbraw/zinc/28/21/49/1071282149.db2.gz CTFVCZNWIJWYCY-RKVPGOIHSA-N 1 1 401.529 -0.361 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@H]21 ZINC001178337999 1071283757 /nfs/dbraw/zinc/28/37/57/1071283757.db2.gz QVYJMTHIDMJKBG-LUYSREMJSA-N 1 1 407.522 -0.184 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@H]21 ZINC001178338000 1071283635 /nfs/dbraw/zinc/28/36/35/1071283635.db2.gz QVYJMTHIDMJKBG-QGLKVJOYSA-N 1 1 407.522 -0.184 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@@H]2NCN[C@@H]21 ZINC001178338001 1071283848 /nfs/dbraw/zinc/28/38/48/1071283848.db2.gz QVYJMTHIDMJKBG-QSUVIHHLSA-N 1 1 407.522 -0.184 20 0 HBADMO N[C@@H]1NCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccn3)C[C@H]2c2ccccc2)[C@H]2NCN[C@@H]21 ZINC001178338002 1071284620 /nfs/dbraw/zinc/28/46/20/1071284620.db2.gz QVYJMTHIDMJKBG-SRHPJPHMSA-N 1 1 407.522 -0.184 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@H]2CCO)CC1=O ZINC001178394635 1071287523 /nfs/dbraw/zinc/28/75/23/1071287523.db2.gz OCZVUHRRNSANQX-ARFHVFGLSA-N 1 1 401.529 -0.673 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@H]2CCO)CC1=O ZINC001178394636 1071287580 /nfs/dbraw/zinc/28/75/80/1071287580.db2.gz OCZVUHRRNSANQX-BZUAXINKSA-N 1 1 401.529 -0.673 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)CC1=O ZINC001178394637 1071287428 /nfs/dbraw/zinc/28/74/28/1071287428.db2.gz OCZVUHRRNSANQX-OAGGEKHMSA-N 1 1 401.529 -0.673 20 0 HBADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)CC1=O ZINC001178394638 1071287541 /nfs/dbraw/zinc/28/75/41/1071287541.db2.gz OCZVUHRRNSANQX-XHSDSOJGSA-N 1 1 401.529 -0.673 20 0 HBADMO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cn(C)nc1I ZINC001178477313 1071291275 /nfs/dbraw/zinc/29/12/75/1071291275.db2.gz DNFOKZVHQMTFQV-UHFFFAOYSA-N 1 1 401.274 -0.053 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001178689806 1071297933 /nfs/dbraw/zinc/29/79/33/1071297933.db2.gz ACZBMPPHHVEIBF-GCHJQGSQSA-N 1 1 408.425 -0.307 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001178689807 1071297796 /nfs/dbraw/zinc/29/77/96/1071297796.db2.gz ACZBMPPHHVEIBF-JCIQBVFBSA-N 1 1 408.425 -0.307 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001178689808 1071298001 /nfs/dbraw/zinc/29/80/01/1071298001.db2.gz ACZBMPPHHVEIBF-LDMBFOFVSA-N 1 1 408.425 -0.307 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@H](C(F)(F)F)C[C@@H]1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001178689809 1071297822 /nfs/dbraw/zinc/29/78/22/1071297822.db2.gz ACZBMPPHHVEIBF-PZWNZHSQSA-N 1 1 408.425 -0.307 20 0 HBADMO CC[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001178691011 1071297723 /nfs/dbraw/zinc/29/77/23/1071297723.db2.gz OBFQJONLJCKVAG-ZDUSSCGKSA-N 1 1 403.526 -0.031 20 0 HBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C)C(=O)NCC(N)=O ZINC001178694727 1071298426 /nfs/dbraw/zinc/29/84/26/1071298426.db2.gz BUDVADZNRBTKGP-HRCADAONSA-N 1 1 409.531 -0.406 20 0 HBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C)C(=O)NCC(N)=O ZINC001178694728 1071298765 /nfs/dbraw/zinc/29/87/65/1071298765.db2.gz BUDVADZNRBTKGP-JYJNAYRXSA-N 1 1 409.531 -0.406 20 0 HBADMO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1O ZINC001178702199 1071298751 /nfs/dbraw/zinc/29/87/51/1071298751.db2.gz TWIXEVSTGOSXDM-XDJZACDYSA-N 1 1 419.486 -0.888 20 0 HBADMO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1O ZINC001178702199 1071298742 /nfs/dbraw/zinc/29/87/42/1071298742.db2.gz TWIXEVSTGOSXDM-XDJZACDYSA-N 1 1 419.486 -0.888 20 0 HBADMO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1O ZINC001178702203 1071298725 /nfs/dbraw/zinc/29/87/25/1071298725.db2.gz TWIXEVSTGOSXDM-YCOMJZELSA-N 1 1 419.486 -0.888 20 0 HBADMO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1O ZINC001178702203 1071298710 /nfs/dbraw/zinc/29/87/10/1071298710.db2.gz TWIXEVSTGOSXDM-YCOMJZELSA-N 1 1 419.486 -0.888 20 0 HBADMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001178731965 1071298635 /nfs/dbraw/zinc/29/86/35/1071298635.db2.gz FWDWTNIQEWILLJ-BMOVDMDCSA-N 1 1 408.495 -0.285 20 0 HBADMO COCC[N@H+]1CCO[C@@H]2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC[C@@H]2C1 ZINC001178764042 1071300557 /nfs/dbraw/zinc/30/05/57/1071300557.db2.gz PIHMWTAFVJZGNC-IAGOWNOFSA-N 1 1 403.545 -0.146 20 0 HBADMO CNC(=O)C[N@H+]1CCCC12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764099 1071300522 /nfs/dbraw/zinc/30/05/22/1071300522.db2.gz LOYKGMBTPFZGMH-UHFFFAOYSA-N 1 1 400.545 -0.139 20 0 HBADMO C[NH+]1CCN(CC(=O)Nc2ncc(I)cc2C(N)=O)CC1 ZINC001178945998 1071304103 /nfs/dbraw/zinc/30/41/03/1071304103.db2.gz KSYGCLIOJIISQE-UHFFFAOYSA-N 1 1 403.224 -0.029 20 0 HBADMO C[NH+]1CCN(CC(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC001178947783 1071304029 /nfs/dbraw/zinc/30/40/29/1071304029.db2.gz AFQQBAGOMWENIT-IPMKNSEASA-N 1 1 401.511 -0.191 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)CN1CC[NH+](C)CC1)CCC2 ZINC001178947885 1071303976 /nfs/dbraw/zinc/30/39/76/1071303976.db2.gz CGJDBJSPNPCHIN-UHFFFAOYSA-N 1 1 418.542 -0.115 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccccn3)C2)CC1 ZINC001178947909 1071303734 /nfs/dbraw/zinc/30/37/34/1071303734.db2.gz CSPDPQXHAQLWDM-WIYYLYMNSA-N 1 1 401.511 -0.047 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178948085 1071303760 /nfs/dbraw/zinc/30/37/60/1071303760.db2.gz DZCDSDUVJNTHLR-NRFANRHFSA-N 1 1 414.510 -0.505 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178948086 1071303649 /nfs/dbraw/zinc/30/36/49/1071303649.db2.gz DZCDSDUVJNTHLR-OAQYLSRUSA-N 1 1 414.510 -0.505 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)CC1 ZINC001178948590 1071303674 /nfs/dbraw/zinc/30/36/74/1071303674.db2.gz MFLZNFVBMDOHJD-IBGZPJMESA-N 1 1 408.524 -0.044 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)CC1 ZINC001178948593 1071303795 /nfs/dbraw/zinc/30/37/95/1071303795.db2.gz MFLZNFVBMDOHJD-LJQANCHMSA-N 1 1 408.524 -0.044 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CC[C@H]3CO[C@H](CNC(=O)c4ccncc4)[C@H]3C2)CC1 ZINC001178948696 1071304050 /nfs/dbraw/zinc/30/40/50/1071304050.db2.gz NKIZTRQZINHDJK-GBESFXJTSA-N 1 1 401.511 -0.078 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC1 ZINC001178949357 1071303862 /nfs/dbraw/zinc/30/38/62/1071303862.db2.gz RUWSUCAWQDUUJR-HHXXYDBFSA-N 1 1 402.499 -0.540 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)CC1 ZINC001178949370 1071304123 /nfs/dbraw/zinc/30/41/23/1071304123.db2.gz RUWSUCAWQDUUJR-KVSKMBFKSA-N 1 1 402.499 -0.540 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)CC1 ZINC001178949374 1071303955 /nfs/dbraw/zinc/30/39/55/1071303955.db2.gz RUWSUCAWQDUUJR-SZVBFZGTSA-N 1 1 402.499 -0.540 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)CC1 ZINC001178949376 1071303886 /nfs/dbraw/zinc/30/38/86/1071303886.db2.gz RUWSUCAWQDUUJR-VDZJLULYSA-N 1 1 402.499 -0.540 20 0 HBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178949468 1071304071 /nfs/dbraw/zinc/30/40/71/1071304071.db2.gz SQTBJGQUQHNFQL-GOSISDBHSA-N 1 1 420.558 -0.558 20 0 HBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)CN1CC[NH+](C)CC1)C2 ZINC001178949475 1071303926 /nfs/dbraw/zinc/30/39/26/1071303926.db2.gz SQTBJGQUQHNFQL-SFHVURJKSA-N 1 1 420.558 -0.558 20 0 HBADMO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)CN4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC001178949506 1071304007 /nfs/dbraw/zinc/30/40/07/1071304007.db2.gz BCBHJSSYWMDJRS-NRFANRHFSA-N 1 1 415.494 -0.035 20 0 HBADMO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)CN4CC[NH+](C)CC4)C3)C2=O)cc1 ZINC001178949507 1071304651 /nfs/dbraw/zinc/30/46/51/1071304651.db2.gz BCBHJSSYWMDJRS-OAQYLSRUSA-N 1 1 415.494 -0.035 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC1 ZINC001178949759 1071304760 /nfs/dbraw/zinc/30/47/60/1071304760.db2.gz VRUXDEKVGOQZEW-UHFFFAOYSA-N 1 1 419.530 -0.603 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CC[C@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)CC1 ZINC001178949786 1071304683 /nfs/dbraw/zinc/30/46/83/1071304683.db2.gz WOCSZNMPASBCJE-SXLOBPIMSA-N 1 1 415.538 -0.006 20 0 HBADMO C[NH+]1CCN(CC(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001178949946 1071304744 /nfs/dbraw/zinc/30/47/44/1071304744.db2.gz JBDNNEXIRYTCKZ-INIZCTEOSA-N 1 1 412.498 -0.691 20 0 HBADMO C[NH+]1CCN(CC(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001178949947 1071304476 /nfs/dbraw/zinc/30/44/76/1071304476.db2.gz JBDNNEXIRYTCKZ-MRXNPFEDSA-N 1 1 412.498 -0.691 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@@]3(CCNC3=O)C2)CC1 ZINC001178950114 1071304540 /nfs/dbraw/zinc/30/45/40/1071304540.db2.gz XYWFOYCAIIGNOG-NRFANRHFSA-N 1 1 421.542 -0.181 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)CC1 ZINC001178950117 1071304637 /nfs/dbraw/zinc/30/46/37/1071304637.db2.gz XYWFOYCAIIGNOG-OAQYLSRUSA-N 1 1 421.542 -0.181 20 0 HBADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001178950167 1071304661 /nfs/dbraw/zinc/30/46/61/1071304661.db2.gz ZHSBAVFDZAEETH-INIZCTEOSA-N 1 1 404.515 -0.220 20 0 HBADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001178950168 1071304728 /nfs/dbraw/zinc/30/47/28/1071304728.db2.gz ZHSBAVFDZAEETH-MRXNPFEDSA-N 1 1 404.515 -0.220 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)CC1 ZINC001178950209 1071304600 /nfs/dbraw/zinc/30/46/00/1071304600.db2.gz MIGLORQKUKCPHC-UHFFFAOYSA-N 1 1 402.499 -0.442 20 0 HBADMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)CN4CC[NH+](C)CC4)CC[C@@H]32)cn1 ZINC001178950537 1071304503 /nfs/dbraw/zinc/30/45/03/1071304503.db2.gz UMDKOCIQYQQDJS-OKZBNKHCSA-N 1 1 404.515 -0.739 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)CN1CC[NH+](C)CC1)CC2 ZINC001178950758 1071304780 /nfs/dbraw/zinc/30/47/80/1071304780.db2.gz YMYOXGUDCCVTJA-UHFFFAOYSA-N 1 1 414.514 -0.821 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN1CC[NH+](C)CC1)C(N)=O ZINC001178956189 1071304574 /nfs/dbraw/zinc/30/45/74/1071304574.db2.gz LVKZPLQORLRMOM-MJGOQNOKSA-N 1 1 419.526 -0.707 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)[C@H](C(F)(F)F)C1 ZINC001178987203 1071305628 /nfs/dbraw/zinc/30/56/28/1071305628.db2.gz WTFKBFUDXRHIJS-GCHJQGSQSA-N 1 1 408.425 -0.449 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)[C@H](C(F)(F)F)C1 ZINC001178987204 1071305961 /nfs/dbraw/zinc/30/59/61/1071305961.db2.gz WTFKBFUDXRHIJS-JCIQBVFBSA-N 1 1 408.425 -0.449 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)[C@H](C(F)(F)F)C1 ZINC001178987205 1071306243 /nfs/dbraw/zinc/30/62/43/1071306243.db2.gz WTFKBFUDXRHIJS-LDMBFOFVSA-N 1 1 408.425 -0.449 20 0 HBADMO CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)[C@H](C(F)(F)F)C1 ZINC001178987206 1071306459 /nfs/dbraw/zinc/30/64/59/1071306459.db2.gz WTFKBFUDXRHIJS-PZWNZHSQSA-N 1 1 408.425 -0.449 20 0 HBADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC001178992712 1071306052 /nfs/dbraw/zinc/30/60/52/1071306052.db2.gz UWAVAJFMJJOMSJ-GHTZIAJQSA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC001178992712 1071306042 /nfs/dbraw/zinc/30/60/42/1071306042.db2.gz UWAVAJFMJJOMSJ-GHTZIAJQSA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC001178992713 1071306183 /nfs/dbraw/zinc/30/61/83/1071306183.db2.gz UWAVAJFMJJOMSJ-NQIIRXRSSA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC001178992713 1071306168 /nfs/dbraw/zinc/30/61/68/1071306168.db2.gz UWAVAJFMJJOMSJ-NQIIRXRSSA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC001178992714 1071306216 /nfs/dbraw/zinc/30/62/16/1071306216.db2.gz UWAVAJFMJJOMSJ-RXVVDRJESA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC001178992714 1071306206 /nfs/dbraw/zinc/30/62/06/1071306206.db2.gz UWAVAJFMJJOMSJ-RXVVDRJESA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@@H+](Cc3ccccc3)CCO1)C2 ZINC001178992715 1071306017 /nfs/dbraw/zinc/30/60/17/1071306017.db2.gz UWAVAJFMJJOMSJ-WIYYLYMNSA-N 1 1 400.479 -0.163 20 0 HBADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@H]1C[N@H+](Cc3ccccc3)CCO1)C2 ZINC001178992715 1071306008 /nfs/dbraw/zinc/30/60/08/1071306008.db2.gz UWAVAJFMJJOMSJ-WIYYLYMNSA-N 1 1 400.479 -0.163 20 0 HBADMO CS(=O)(=O)Cc1nc(CNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC001179021609 1071305516 /nfs/dbraw/zinc/30/55/16/1071305516.db2.gz ZJBYJFNUTOVZKZ-GOSISDBHSA-N 1 1 407.496 -0.007 20 0 HBADMO CS(=O)(=O)Cc1nc(CNC(=O)[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC001179021609 1071305513 /nfs/dbraw/zinc/30/55/13/1071305513.db2.gz ZJBYJFNUTOVZKZ-GOSISDBHSA-N 1 1 407.496 -0.007 20 0 HBADMO CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001179021609 1071305508 /nfs/dbraw/zinc/30/55/08/1071305508.db2.gz ZJBYJFNUTOVZKZ-GOSISDBHSA-N 1 1 407.496 -0.007 20 0 HBADMO CS(=O)(=O)Cc1nc(CNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC001179021610 1071305554 /nfs/dbraw/zinc/30/55/54/1071305554.db2.gz ZJBYJFNUTOVZKZ-SFHVURJKSA-N 1 1 407.496 -0.007 20 0 HBADMO CS(=O)(=O)Cc1nc(CNC(=O)[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC001179021610 1071305548 /nfs/dbraw/zinc/30/55/48/1071305548.db2.gz ZJBYJFNUTOVZKZ-SFHVURJKSA-N 1 1 407.496 -0.007 20 0 HBADMO CS(=O)(=O)Cc1n[nH]c(CNC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001179021610 1071305543 /nfs/dbraw/zinc/30/55/43/1071305543.db2.gz ZJBYJFNUTOVZKZ-SFHVURJKSA-N 1 1 407.496 -0.007 20 0 HBADMO CC(=O)N1CCN(CC(=O)N2CCN(c3cc[nH+]c(N4CCCC4)n3)CC2)CC1 ZINC001179030528 1071307832 /nfs/dbraw/zinc/30/78/32/1071307832.db2.gz QNRVAHDXSXWCAN-UHFFFAOYSA-N 1 1 401.515 -0.111 20 0 HBADMO CC(=O)N1CCN(CC(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)CC1 ZINC001179030530 1071307930 /nfs/dbraw/zinc/30/79/30/1071307930.db2.gz QPMMQPYFLFIOQZ-IFMALSPDSA-N 1 1 421.586 -0.062 20 0 HBADMO 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/nfs/dbraw/zinc/34/42/04/1071344204.db2.gz PUDYWZXXDJUAJH-HXUWFJFHSA-N 1 1 410.515 -0.688 20 0 HBADMO O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001180592448 1071348035 /nfs/dbraw/zinc/34/80/35/1071348035.db2.gz CVCIUQPNQRWUCW-UHFFFAOYSA-N 1 1 408.528 -0.544 20 0 HBADMO O=C(CN1CCS(=O)(=O)CC1)N(Cc1cn2c(n1)C[NH2+]CC2)c1ccccn1 ZINC001180593905 1071349282 /nfs/dbraw/zinc/34/92/82/1071349282.db2.gz XNPFMCXXICMNEG-UHFFFAOYSA-N 1 1 404.496 -0.355 20 0 HBADMO NC(=O)C1CC[NH+](CCC(=O)N2Cc3n[nH]c(C(=O)N4CCOCC4)c3C2)CC1 ZINC001180608467 1071351126 /nfs/dbraw/zinc/35/11/26/1071351126.db2.gz DLWPAUSGSKVIBE-UHFFFAOYSA-N 1 1 404.471 -0.688 20 0 HBADMO CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CC[NH+]1CCC(C(N)=O)CC1 ZINC001180608867 1071352241 /nfs/dbraw/zinc/35/22/41/1071352241.db2.gz KVGMLGBNSIXFGI-UHFFFAOYSA-N 1 1 413.500 -0.804 20 0 HBADMO CN1CCN(Cc2cn3c(n2)CN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)CC3)CC1 ZINC001180609349 1071351970 /nfs/dbraw/zinc/35/19/70/1071351970.db2.gz SWDOCENMQOSCCI-UHFFFAOYSA-N 1 1 417.558 -0.440 20 0 HBADMO NC(=O)C1CC[NH+](CCC(=O)NCc2cc(N3CCS(=O)(=O)CC3)ccn2)CC1 ZINC001180611188 1071352716 /nfs/dbraw/zinc/35/27/16/1071352716.db2.gz DBNIXPIQOZPZKR-UHFFFAOYSA-N 1 1 423.539 -0.480 20 0 HBADMO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCCC1)C(=O)NCC(N)=O ZINC001180628000 1071352800 /nfs/dbraw/zinc/35/28/00/1071352800.db2.gz OODUAAXHIDTQIM-IRXDYDNUSA-N 1 1 423.558 -0.016 20 0 HBADMO CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001180715454 1071353716 /nfs/dbraw/zinc/35/37/16/1071353716.db2.gz VWJIWQOVJMSGTC-LTIDMASMSA-N 1 1 404.515 -0.016 20 0 HBADMO CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001180715455 1071353510 /nfs/dbraw/zinc/35/35/10/1071353510.db2.gz VWJIWQOVJMSGTC-NCOADZHNSA-N 1 1 404.515 -0.016 20 0 HBADMO CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001180715456 1071353359 /nfs/dbraw/zinc/35/33/59/1071353359.db2.gz VWJIWQOVJMSGTC-QZWWFDLISA-N 1 1 404.515 -0.016 20 0 HBADMO CN(C(=O)OC(C)(C)C)[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001180715457 1071353621 /nfs/dbraw/zinc/35/36/21/1071353621.db2.gz VWJIWQOVJMSGTC-WCXIOVBPSA-N 1 1 404.515 -0.016 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180756809 1071355391 /nfs/dbraw/zinc/35/53/91/1071355391.db2.gz AFFQZLFDOFSGQE-FXAWDEMLSA-N 1 1 401.467 -0.422 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180756809 1071355383 /nfs/dbraw/zinc/35/53/83/1071355383.db2.gz AFFQZLFDOFSGQE-FXAWDEMLSA-N 1 1 401.467 -0.422 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001180756812 1071355738 /nfs/dbraw/zinc/35/57/38/1071355738.db2.gz AFFQZLFDOFSGQE-PXNSSMCTSA-N 1 1 401.467 -0.422 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001180756812 1071355725 /nfs/dbraw/zinc/35/57/25/1071355725.db2.gz AFFQZLFDOFSGQE-PXNSSMCTSA-N 1 1 401.467 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HBADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)C1 ZINC001180757512 1071355539 /nfs/dbraw/zinc/35/55/39/1071355539.db2.gz WJMCZZRHEPCVDP-JLTOFOAXSA-N 1 1 408.499 -0.097 20 0 HBADMO C[N@H+]1CCO[C@H](C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)C1 ZINC001180757513 1071355694 /nfs/dbraw/zinc/35/56/94/1071355694.db2.gz WJMCZZRHEPCVDP-VBKZILBWSA-N 1 1 408.499 -0.097 20 0 HBADMO C[N@@H+]1CCO[C@H](C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)C1 ZINC001180757513 1071355682 /nfs/dbraw/zinc/35/56/82/1071355682.db2.gz WJMCZZRHEPCVDP-VBKZILBWSA-N 1 1 408.499 -0.097 20 0 HBADMO C[N@H+]1CCO[C@@H](C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@@]3(CCNC3=O)C2)C1 ZINC001180757514 1071355879 /nfs/dbraw/zinc/35/58/79/1071355879.db2.gz WJMCZZRHEPCVDP-VLIAUNLRSA-N 1 1 408.499 -0.097 20 0 HBADMO C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@@]3(CCNC3=O)C2)C1 ZINC001180757514 1071355869 /nfs/dbraw/zinc/35/58/69/1071355869.db2.gz WJMCZZRHEPCVDP-VLIAUNLRSA-N 1 1 408.499 -0.097 20 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C[N@@H+]1CCO[C@H](C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@@]3(CCNC3=O)C2)C1 ZINC001180757615 1071355329 /nfs/dbraw/zinc/35/53/29/1071355329.db2.gz WJMCZZRHEPCVDP-XOBRGWDASA-N 1 1 408.499 -0.097 20 0 HBADMO C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 ZINC001180758948 1071356585 /nfs/dbraw/zinc/35/65/85/1071356585.db2.gz LVSSWZSRPJQUHV-DFEOGRTESA-N 1 1 422.507 -0.704 20 0 HBADMO C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 ZINC001180758948 1071356570 /nfs/dbraw/zinc/35/65/70/1071356570.db2.gz LVSSWZSRPJQUHV-DFEOGRTESA-N 1 1 422.507 -0.704 20 0 HBADMO C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 ZINC001180758949 1071356306 /nfs/dbraw/zinc/35/63/06/1071356306.db2.gz LVSSWZSRPJQUHV-VXNCWWDNSA-N 1 1 422.507 -0.704 20 0 HBADMO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)C1 ZINC001180758949 1071356291 /nfs/dbraw/zinc/35/62/91/1071356291.db2.gz LVSSWZSRPJQUHV-VXNCWWDNSA-N 1 1 422.507 -0.704 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC001180759669 1071356204 /nfs/dbraw/zinc/35/62/04/1071356204.db2.gz QRUAEFJDEKZENE-INIZCTEOSA-N 1 1 405.499 -0.032 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC001180759669 1071356193 /nfs/dbraw/zinc/35/61/93/1071356193.db2.gz QRUAEFJDEKZENE-INIZCTEOSA-N 1 1 405.499 -0.032 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC001180759678 1071356546 /nfs/dbraw/zinc/35/65/46/1071356546.db2.gz QRUAEFJDEKZENE-MRXNPFEDSA-N 1 1 405.499 -0.032 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCC2 ZINC001180759678 1071356530 /nfs/dbraw/zinc/35/65/30/1071356530.db2.gz QRUAEFJDEKZENE-MRXNPFEDSA-N 1 1 405.499 -0.032 20 0 HBADMO C[N@H+]1CCO[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001180760253 1071356140 /nfs/dbraw/zinc/35/61/40/1071356140.db2.gz SFCLUPSYQZWIIO-KRWDZBQOSA-N 1 1 406.487 -0.520 20 0 HBADMO C[N@@H+]1CCO[C@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001180760253 1071356124 /nfs/dbraw/zinc/35/61/24/1071356124.db2.gz SFCLUPSYQZWIIO-KRWDZBQOSA-N 1 1 406.487 -0.520 20 0 HBADMO C[N@H+]1CCO[C@@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001180760255 1071356441 /nfs/dbraw/zinc/35/64/41/1071356441.db2.gz SFCLUPSYQZWIIO-QGZVFWFLSA-N 1 1 406.487 -0.520 20 0 HBADMO C[N@@H+]1CCO[C@@H](C(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1 ZINC001180760255 1071356424 /nfs/dbraw/zinc/35/64/24/1071356424.db2.gz SFCLUPSYQZWIIO-QGZVFWFLSA-N 1 1 406.487 -0.520 20 0 HBADMO C[N@H+]1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001180761024 1071356261 /nfs/dbraw/zinc/35/62/61/1071356261.db2.gz SSVSTYZSUQARKG-AWEZNQCLSA-N 1 1 420.532 -0.684 20 0 HBADMO C[N@@H+]1CCO[C@H](C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001180761024 1071356247 /nfs/dbraw/zinc/35/62/47/1071356247.db2.gz SSVSTYZSUQARKG-AWEZNQCLSA-N 1 1 420.532 -0.684 20 0 HBADMO C[N@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001180761025 1071356642 /nfs/dbraw/zinc/35/66/42/1071356642.db2.gz SSVSTYZSUQARKG-CQSZACIVSA-N 1 1 420.532 -0.684 20 0 HBADMO C[N@@H+]1CCO[C@@H](C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001180761025 1071356637 /nfs/dbraw/zinc/35/66/37/1071356637.db2.gz SSVSTYZSUQARKG-CQSZACIVSA-N 1 1 420.532 -0.684 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001180761406 1071354386 /nfs/dbraw/zinc/35/43/86/1071354386.db2.gz YQKWXOBDQXBEAA-HNNXBMFYSA-N 1 1 401.471 -0.738 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001180761406 1071354373 /nfs/dbraw/zinc/35/43/73/1071354373.db2.gz YQKWXOBDQXBEAA-HNNXBMFYSA-N 1 1 401.471 -0.738 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001180761408 1071354491 /nfs/dbraw/zinc/35/44/91/1071354491.db2.gz YQKWXOBDQXBEAA-OAHLLOKOSA-N 1 1 401.471 -0.738 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001180761408 1071354476 /nfs/dbraw/zinc/35/44/76/1071354476.db2.gz YQKWXOBDQXBEAA-OAHLLOKOSA-N 1 1 401.471 -0.738 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001180762238 1071356986 /nfs/dbraw/zinc/35/69/86/1071356986.db2.gz KUUBKSMCCCCRPT-IKGGRYGDSA-N 1 1 406.483 -0.624 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[N@H+](C)CCO1)C(N)=O ZINC001180762238 1071356969 /nfs/dbraw/zinc/35/69/69/1071356969.db2.gz KUUBKSMCCCCRPT-IKGGRYGDSA-N 1 1 406.483 -0.624 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[N@@H+](C)CCO1)C(N)=O ZINC001180762243 1071357283 /nfs/dbraw/zinc/35/72/83/1071357283.db2.gz KUUBKSMCCCCRPT-ZACQAIPSSA-N 1 1 406.483 -0.624 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[N@H+](C)CCO1)C(N)=O ZINC001180762243 1071357268 /nfs/dbraw/zinc/35/72/68/1071357268.db2.gz KUUBKSMCCCCRPT-ZACQAIPSSA-N 1 1 406.483 -0.624 20 0 HBADMO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[N@@H+](C)CCO3)ccc12 ZINC001180762553 1071357212 /nfs/dbraw/zinc/35/72/12/1071357212.db2.gz NJMADQVONAIIBK-INIZCTEOSA-N 1 1 416.434 -0.397 20 0 HBADMO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3C[N@H+](C)CCO3)ccc12 ZINC001180762553 1071357203 /nfs/dbraw/zinc/35/72/03/1071357203.db2.gz NJMADQVONAIIBK-INIZCTEOSA-N 1 1 416.434 -0.397 20 0 HBADMO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3C[N@@H+](C)CCO3)ccc12 ZINC001180762555 1071357489 /nfs/dbraw/zinc/35/74/89/1071357489.db2.gz NJMADQVONAIIBK-MRXNPFEDSA-N 1 1 416.434 -0.397 20 0 HBADMO Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3C[N@H+](C)CCO3)ccc12 ZINC001180762555 1071357477 /nfs/dbraw/zinc/35/74/77/1071357477.db2.gz NJMADQVONAIIBK-MRXNPFEDSA-N 1 1 416.434 -0.397 20 0 HBADMO CCOC(=O)[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001180763646 1071357435 /nfs/dbraw/zinc/35/74/35/1071357435.db2.gz KPXDJIYYLUNYMZ-OAGGEKHMSA-N 1 1 414.480 -0.498 20 0 HBADMO CCOC(=O)[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001180763646 1071357419 /nfs/dbraw/zinc/35/74/19/1071357419.db2.gz KPXDJIYYLUNYMZ-OAGGEKHMSA-N 1 1 414.480 -0.498 20 0 HBADMO CCOC(=O)[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001180763649 1071357980 /nfs/dbraw/zinc/35/79/80/1071357980.db2.gz KPXDJIYYLUNYMZ-XHSDSOJGSA-N 1 1 414.480 -0.498 20 0 HBADMO CCOC(=O)[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001180763649 1071357973 /nfs/dbraw/zinc/35/79/73/1071357973.db2.gz KPXDJIYYLUNYMZ-XHSDSOJGSA-N 1 1 414.480 -0.498 20 0 HBADMO CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)Cc2ccccc2C1 ZINC001180774593 1071357947 /nfs/dbraw/zinc/35/79/47/1071357947.db2.gz FSJVPCKSNKHBRL-HRCADAONSA-N 1 1 402.499 -0.432 20 0 HBADMO CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)Cc2ccccc2C1 ZINC001180774595 1071358090 /nfs/dbraw/zinc/35/80/90/1071358090.db2.gz FSJVPCKSNKHBRL-JYJNAYRXSA-N 1 1 402.499 -0.432 20 0 HBADMO CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)Cc2ccccc2C1 ZINC001180774597 1071357723 /nfs/dbraw/zinc/35/77/23/1071357723.db2.gz FSJVPCKSNKHBRL-OWCLPIDISA-N 1 1 402.499 -0.432 20 0 HBADMO CC(C)(C)OC(=O)NC1(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)Cc2ccccc2C1 ZINC001180774600 1071357773 /nfs/dbraw/zinc/35/77/73/1071357773.db2.gz FSJVPCKSNKHBRL-PMPSAXMXSA-N 1 1 402.499 -0.432 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894496 1071362916 /nfs/dbraw/zinc/36/29/16/1071362916.db2.gz WSNDNAXDXOQNCS-JXFKEZNVSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894496 1071362907 /nfs/dbraw/zinc/36/29/07/1071362907.db2.gz WSNDNAXDXOQNCS-JXFKEZNVSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894497 1071362700 /nfs/dbraw/zinc/36/27/00/1071362700.db2.gz WSNDNAXDXOQNCS-OXJNMPFZSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894497 1071362676 /nfs/dbraw/zinc/36/26/76/1071362676.db2.gz WSNDNAXDXOQNCS-OXJNMPFZSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894498 1071362982 /nfs/dbraw/zinc/36/29/82/1071362982.db2.gz WSNDNAXDXOQNCS-OXQOHEQNSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894498 1071362978 /nfs/dbraw/zinc/36/29/78/1071362978.db2.gz WSNDNAXDXOQNCS-OXQOHEQNSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894499 1071362756 /nfs/dbraw/zinc/36/27/56/1071362756.db2.gz WSNDNAXDXOQNCS-UZLBHIALSA-N 1 1 410.515 -0.832 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC(=O)N(CCOC)C3)C2)C1 ZINC001180894499 1071362737 /nfs/dbraw/zinc/36/27/37/1071362737.db2.gz WSNDNAXDXOQNCS-UZLBHIALSA-N 1 1 410.515 -0.832 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC001180924405 1071362282 /nfs/dbraw/zinc/36/22/82/1071362282.db2.gz AIARHNNZHDRKEF-GOSISDBHSA-N 1 1 422.551 -0.231 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)C2CN(S(C)(=O)=O)C2)CC1 ZINC001180924406 1071362204 /nfs/dbraw/zinc/36/22/04/1071362204.db2.gz AIARHNNZHDRKEF-SFHVURJKSA-N 1 1 422.551 -0.231 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001180925466 1071362307 /nfs/dbraw/zinc/36/23/07/1071362307.db2.gz KXHGZTVFFWAZLL-KRWDZBQOSA-N 1 1 415.494 -0.180 20 0 HBADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCC(=O)NC2=O)CC1 ZINC001180925467 1071362108 /nfs/dbraw/zinc/36/21/08/1071362108.db2.gz KXHGZTVFFWAZLL-QGZVFWFLSA-N 1 1 415.494 -0.180 20 0 HBADMO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC001181021749 1071364716 /nfs/dbraw/zinc/36/47/16/1071364716.db2.gz JFQWTUQWSIWTCZ-GFCCVEGCSA-N 1 1 402.494 -0.003 20 0 HBADMO O=S(=O)(c1ccc2c(c1)OCCO2)N1CC([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC001181021750 1071364760 /nfs/dbraw/zinc/36/47/60/1071364760.db2.gz JFQWTUQWSIWTCZ-LBPRGKRZSA-N 1 1 402.494 -0.003 20 0 HBADMO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)CC12CCC[NH+]1CCC2 ZINC001181112994 1071365778 /nfs/dbraw/zinc/36/57/78/1071365778.db2.gz BVONSRDGTZFQIQ-HOTGVXAUSA-N 1 1 402.499 -0.068 20 0 HBADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CC(=O)N(C)C(=O)N1)CCC2 ZINC001181130963 1071367499 /nfs/dbraw/zinc/36/74/99/1071367499.db2.gz AERUNBBGYJLANU-AWEZNQCLSA-N 1 1 404.471 -0.244 20 0 HBADMO CN1C(=O)C[C@@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)NC1=O ZINC001181131036 1071367556 /nfs/dbraw/zinc/36/75/56/1071367556.db2.gz CQVCZNVTPUWDHJ-QZWWFDLISA-N 1 1 415.498 -0.080 20 0 HBADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)C(=O)N2)cc1 ZINC001181131977 1071368532 /nfs/dbraw/zinc/36/85/32/1071368532.db2.gz BMQVIOZHAVMYGM-INIZCTEOSA-N 1 1 416.482 -0.224 20 0 HBADMO CN1C(=O)C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)NC1=O ZINC001181132125 1071368472 /nfs/dbraw/zinc/36/84/72/1071368472.db2.gz WYHAQMVVQZTYCZ-GQIGUUNPSA-N 1 1 407.515 -0.286 20 0 HBADMO CN1C(=O)C[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)NC1=O ZINC001181135905 1071369005 /nfs/dbraw/zinc/36/90/05/1071369005.db2.gz JZUWCRGZQKBMQM-RDBSUJKOSA-N 1 1 409.487 -0.016 20 0 HBADMO C[N@@H+](CCC(=O)N[C@H]1[C@H](n2ccc(N)nc2=O)O[C@H](CO)[C@H]1O)Cc1ccccc1 ZINC001181141849 1071369052 /nfs/dbraw/zinc/36/90/52/1071369052.db2.gz FOKKCQXLECPJGK-UTRMSSBJSA-N 1 1 417.466 -0.674 20 0 HBADMO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001181187115 1071369767 /nfs/dbraw/zinc/36/97/67/1071369767.db2.gz NBVQACINOPLZON-LUKYLMHMSA-N 1 1 404.515 -0.111 20 0 HBADMO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001181187116 1071370320 /nfs/dbraw/zinc/37/03/20/1071370320.db2.gz NBVQACINOPLZON-QAETUUGQSA-N 1 1 404.515 -0.111 20 0 HBADMO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001181187117 1071370089 /nfs/dbraw/zinc/37/00/89/1071370089.db2.gz NBVQACINOPLZON-VVLHAWIVSA-N 1 1 404.515 -0.111 20 0 HBADMO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001181187118 1071370160 /nfs/dbraw/zinc/37/01/60/1071370160.db2.gz NBVQACINOPLZON-YVSFHVDLSA-N 1 1 404.515 -0.111 20 0 HBADMO COC(=O)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@H]1CCOC1 ZINC001181316555 1071372621 /nfs/dbraw/zinc/37/26/21/1071372621.db2.gz YSJBIRCBZLPRIR-BBWFWOEESA-N 1 1 411.499 -0.358 20 0 HBADMO COC(=O)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@@H]1CCOC1 ZINC001181316556 1071372536 /nfs/dbraw/zinc/37/25/36/1071372536.db2.gz YSJBIRCBZLPRIR-BRWVUGGUSA-N 1 1 411.499 -0.358 20 0 HBADMO COC(=O)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[C@H]1CCOC1 ZINC001181316557 1071372794 /nfs/dbraw/zinc/37/27/94/1071372794.db2.gz YSJBIRCBZLPRIR-GVDBMIGSSA-N 1 1 411.499 -0.358 20 0 HBADMO COC(=O)[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCOC1 ZINC001181316558 1071372694 /nfs/dbraw/zinc/37/26/94/1071372694.db2.gz YSJBIRCBZLPRIR-ZACQAIPSSA-N 1 1 411.499 -0.358 20 0 HBADMO Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cc1C ZINC001181413147 1071373206 /nfs/dbraw/zinc/37/32/06/1071373206.db2.gz JJXQLVPHEVFMLL-QFBILLFUSA-N 1 1 411.524 -0.076 20 0 HBADMO O=C(CNS(=O)(=O)c1ccc(F)cc1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001181413201 1071373257 /nfs/dbraw/zinc/37/32/57/1071373257.db2.gz LEYWYPWZGJERFI-WMLDXEAASA-N 1 1 401.460 -0.554 20 0 HBADMO Cn1ncc(I)c1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001181413442 1071373796 /nfs/dbraw/zinc/37/37/96/1071373796.db2.gz OIJOVXRLZXZQGB-IINYFYTJSA-N 1 1 420.251 -0.020 20 0 HBADMO Cn1ncc(I)c1C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001181413442 1071373783 /nfs/dbraw/zinc/37/37/83/1071373783.db2.gz OIJOVXRLZXZQGB-IINYFYTJSA-N 1 1 420.251 -0.020 20 0 HBADMO 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CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897560 1071481417 /nfs/dbraw/zinc/48/14/17/1071481417.db2.gz RKLVJAAEVSKDLC-GHTZIAJQSA-N 1 1 405.495 -0.017 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897564 1071481532 /nfs/dbraw/zinc/48/15/32/1071481532.db2.gz RKLVJAAEVSKDLC-NQIIRXRSSA-N 1 1 405.495 -0.017 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897564 1071481529 /nfs/dbraw/zinc/48/15/29/1071481529.db2.gz RKLVJAAEVSKDLC-NQIIRXRSSA-N 1 1 405.495 -0.017 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897565 1071482174 /nfs/dbraw/zinc/48/21/74/1071482174.db2.gz RKLVJAAEVSKDLC-RXVVDRJESA-N 1 1 405.495 -0.017 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H](O)Cc3ccc(O)cc3)C2)C1 ZINC001183897565 1071482170 /nfs/dbraw/zinc/48/21/70/1071482170.db2.gz RKLVJAAEVSKDLC-RXVVDRJESA-N 1 1 405.495 -0.017 20 0 HBADMO 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C[N@@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001185227805 1071507807 /nfs/dbraw/zinc/50/78/07/1071507807.db2.gz ZYWVELHVPNZZDO-SFHVURJKSA-N 1 1 414.510 -0.055 20 0 HBADMO C[N@H+](Cc1ccccc1)[C@@H](CO)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001185227805 1071507797 /nfs/dbraw/zinc/50/77/97/1071507797.db2.gz ZYWVELHVPNZZDO-SFHVURJKSA-N 1 1 414.510 -0.055 20 0 HBADMO CC(=O)N1CC2(C1)CN(C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1)C[C@@H]2C(=O)N(C)C ZINC001185231840 1071507723 /nfs/dbraw/zinc/50/77/23/1071507723.db2.gz FGRLMCMUQBLVOS-MOPGFXCFSA-N 1 1 416.522 -0.126 20 0 HBADMO CC(=O)N1CC2(C1)CN(C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1)C[C@@H]2C(=O)N(C)C ZINC001185231840 1071507712 /nfs/dbraw/zinc/50/77/12/1071507712.db2.gz FGRLMCMUQBLVOS-MOPGFXCFSA-N 1 1 416.522 -0.126 20 0 HBADMO CC(=O)N1CC2(C1)CN(C(=O)[C@H](CO)[N@@H+](C)Cc1ccccc1)C[C@H]2C(=O)N(C)C ZINC001185231847 1071507690 /nfs/dbraw/zinc/50/76/90/1071507690.db2.gz FGRLMCMUQBLVOS-OALUTQOASA-N 1 1 416.522 -0.126 20 0 HBADMO CC(=O)N1CC2(C1)CN(C(=O)[C@H](CO)[N@H+](C)Cc1ccccc1)C[C@H]2C(=O)N(C)C ZINC001185231847 1071507682 /nfs/dbraw/zinc/50/76/82/1071507682.db2.gz FGRLMCMUQBLVOS-OALUTQOASA-N 1 1 416.522 -0.126 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001185243821 1071507830 /nfs/dbraw/zinc/50/78/30/1071507830.db2.gz GQZJEPMIUIKROF-GOSISDBHSA-N 1 1 419.530 -0.605 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001185243833 1071507530 /nfs/dbraw/zinc/50/75/30/1071507530.db2.gz GQZJEPMIUIKROF-SFHVURJKSA-N 1 1 419.530 -0.605 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001185244214 1071508027 /nfs/dbraw/zinc/50/80/27/1071508027.db2.gz JCMCMLDIIFNGFV-WJFTUGDTSA-N 1 1 401.511 -0.193 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001185244215 1071507571 /nfs/dbraw/zinc/50/75/71/1071507571.db2.gz JCMCMLDIIFNGFV-ZSYWTGECSA-N 1 1 401.511 -0.193 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1 ZINC001185244244 1071507748 /nfs/dbraw/zinc/50/77/48/1071507748.db2.gz JVOXEFUYFZECFR-BTYIYWSLSA-N 1 1 421.542 -0.182 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@]2(CCNC2=O)C1 ZINC001185244245 1071508384 /nfs/dbraw/zinc/50/83/84/1071508384.db2.gz JVOXEFUYFZECFR-QVKFZJNVSA-N 1 1 421.542 -0.182 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@@]2(CCNC2=O)C1 ZINC001185244246 1071508447 /nfs/dbraw/zinc/50/84/47/1071508447.db2.gz JVOXEFUYFZECFR-VFNWGFHPSA-N 1 1 421.542 -0.182 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC2(CN(C(=O)OC(C)(C)C)C2)[C@]2(CCNC2=O)C1 ZINC001185244247 1071509007 /nfs/dbraw/zinc/50/90/07/1071509007.db2.gz JVOXEFUYFZECFR-YCRPNKLZSA-N 1 1 421.542 -0.182 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)Nc1ncc(I)cc1C(N)=O ZINC001185244304 1071508480 /nfs/dbraw/zinc/50/84/80/1071508480.db2.gz KIBSUKCKVMVRRF-JTQLQIEISA-N 1 1 403.224 -0.031 20 0 HBADMO CN1CC[N@H+](C)C[C@H]1C(=O)Nc1ncc(I)cc1C(N)=O ZINC001185244304 1071508472 /nfs/dbraw/zinc/50/84/72/1071508472.db2.gz KIBSUKCKVMVRRF-JTQLQIEISA-N 1 1 403.224 -0.031 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)Nc1ncc(I)cc1C(N)=O ZINC001185244305 1071509053 /nfs/dbraw/zinc/50/90/53/1071509053.db2.gz KIBSUKCKVMVRRF-SNVBAGLBSA-N 1 1 403.224 -0.031 20 0 HBADMO CN1CC[N@H+](C)C[C@@H]1C(=O)Nc1ncc(I)cc1C(N)=O ZINC001185244305 1071509042 /nfs/dbraw/zinc/50/90/42/1071509042.db2.gz KIBSUKCKVMVRRF-SNVBAGLBSA-N 1 1 403.224 -0.031 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249749 1071508846 /nfs/dbraw/zinc/50/88/46/1071508846.db2.gz AOEGVYHZLBIJRW-APWZRJJASA-N 1 1 408.524 -0.045 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249750 1071508885 /nfs/dbraw/zinc/50/88/85/1071508885.db2.gz AOEGVYHZLBIJRW-LPHOPBHVSA-N 1 1 408.524 -0.045 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249751 1071508622 /nfs/dbraw/zinc/50/86/22/1071508622.db2.gz AOEGVYHZLBIJRW-QFBILLFUSA-N 1 1 408.524 -0.045 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001185249752 1071508417 /nfs/dbraw/zinc/50/84/17/1071508417.db2.gz AOEGVYHZLBIJRW-VQIMIIECSA-N 1 1 408.524 -0.045 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001185249763 1071508593 /nfs/dbraw/zinc/50/85/93/1071508593.db2.gz AUBGAEXZWURQFR-CADBVGFASA-N 1 1 401.511 -0.079 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CO[C@H](CNC(=O)c3ccncc3)[C@H]2C1 ZINC001185249764 1071508561 /nfs/dbraw/zinc/50/85/61/1071508561.db2.gz AUBGAEXZWURQFR-INDMIFKZSA-N 1 1 401.511 -0.079 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001185250038 1071508529 /nfs/dbraw/zinc/50/85/29/1071508529.db2.gz BUAYBSSIWGUAIP-KRWDZBQOSA-N 1 1 402.499 -0.444 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001185250040 1071508661 /nfs/dbraw/zinc/50/86/61/1071508661.db2.gz BUAYBSSIWGUAIP-QGZVFWFLSA-N 1 1 402.499 -0.444 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250134 1071508963 /nfs/dbraw/zinc/50/89/63/1071508963.db2.gz CYDPQODRHHLMCG-GHTZIAJQSA-N 1 1 414.510 -0.506 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250139 1071508926 /nfs/dbraw/zinc/50/89/26/1071508926.db2.gz CYDPQODRHHLMCG-NQIIRXRSSA-N 1 1 414.510 -0.506 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1C[N@H+](C)CCN1C)C2 ZINC001185250140 1071508723 /nfs/dbraw/zinc/50/87/23/1071508723.db2.gz CYDPQODRHHLMCG-RXVVDRJESA-N 1 1 414.510 -0.506 20 0 HBADMO CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1C[N@H+](C)CCN1C)C2 ZINC001185250142 1071508499 /nfs/dbraw/zinc/50/84/99/1071508499.db2.gz CYDPQODRHHLMCG-WIYYLYMNSA-N 1 1 414.510 -0.506 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CCC2 ZINC001185250206 1071508762 /nfs/dbraw/zinc/50/87/62/1071508762.db2.gz DGZVRLZKUMMRTA-KRWDZBQOSA-N 1 1 418.542 -0.116 20 0 HBADMO CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC001185250211 1071508803 /nfs/dbraw/zinc/50/88/03/1071508803.db2.gz DGZVRLZKUMMRTA-QGZVFWFLSA-N 1 1 418.542 -0.116 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001185250628 1071509949 /nfs/dbraw/zinc/50/99/49/1071509949.db2.gz IEUFEYALNWNDET-DOTOQJQBSA-N 1 1 412.498 -0.693 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001185250647 1071509559 /nfs/dbraw/zinc/50/95/59/1071509559.db2.gz IEUFEYALNWNDET-NVXWUHKLSA-N 1 1 412.498 -0.693 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001185250648 1071509781 /nfs/dbraw/zinc/50/97/81/1071509781.db2.gz IEUFEYALNWNDET-RDJZCZTQSA-N 1 1 412.498 -0.693 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001185250649 1071509360 /nfs/dbraw/zinc/50/93/60/1071509360.db2.gz IEUFEYALNWNDET-WBVHZDCISA-N 1 1 412.498 -0.693 20 0 HBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250711 1071509516 /nfs/dbraw/zinc/50/95/16/1071509516.db2.gz IRMNEBVKBOWJPL-HKUYNNGSSA-N 1 1 420.558 -0.560 20 0 HBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250714 1071509686 /nfs/dbraw/zinc/50/96/86/1071509686.db2.gz IRMNEBVKBOWJPL-IEBWSBKVSA-N 1 1 420.558 -0.560 20 0 HBADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250716 1071509609 /nfs/dbraw/zinc/50/96/09/1071509609.db2.gz IRMNEBVKBOWJPL-MJGOQNOKSA-N 1 1 420.558 -0.560 20 0 HBADMO Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)C2 ZINC001185250717 1071509844 /nfs/dbraw/zinc/50/98/44/1071509844.db2.gz IRMNEBVKBOWJPL-PKOBYXMFSA-N 1 1 420.558 -0.560 20 0 HBADMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)CCN4C)CC[C@@H]32)cn1 ZINC001185250885 1071509811 /nfs/dbraw/zinc/50/98/11/1071509811.db2.gz KUUJWLKJBPRFPJ-WNRNVDISSA-N 1 1 404.515 -0.741 20 0 HBADMO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4C[N@@H+](C)CCN4C)CC[C@@H]32)cn1 ZINC001185250900 1071509492 /nfs/dbraw/zinc/50/94/92/1071509492.db2.gz KUUJWLKJBPRFPJ-XLAORIBOSA-N 1 1 404.515 -0.741 20 0 HBADMO Cn1nnc2c1CCN(C(=O)[C@H]1CN(C)CCN1C)[C@H]2COCC[NH+]1CCCC1 ZINC001185251026 1071509433 /nfs/dbraw/zinc/50/94/33/1071509433.db2.gz LIAWLWABSRBCNX-MSOLQXFVSA-N 1 1 405.547 -0.401 20 0 HBADMO Cn1nnc2c1CCN(C(=O)[C@H]1CN(C)CCN1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001185251034 1071509742 /nfs/dbraw/zinc/50/97/42/1071509742.db2.gz LIAWLWABSRBCNX-QZTJIDSGSA-N 1 1 405.547 -0.401 20 0 HBADMO Cn1nnc2c1CCN(C(=O)[C@@H]1CN(C)CCN1C)[C@H]2COCC[NH+]1CCCC1 ZINC001185251036 1071509664 /nfs/dbraw/zinc/50/96/64/1071509664.db2.gz LIAWLWABSRBCNX-ROUUACIJSA-N 1 1 405.547 -0.401 20 0 HBADMO Cn1nnc2c1CCN(C(=O)[C@@H]1CN(C)CCN1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001185251037 1071509930 /nfs/dbraw/zinc/50/99/30/1071509930.db2.gz LIAWLWABSRBCNX-ZWKOTPCHSA-N 1 1 405.547 -0.401 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001185252534 1071509589 /nfs/dbraw/zinc/50/95/89/1071509589.db2.gz SGZFYVCKVQNVFK-FFGOWVMKSA-N 1 1 415.538 -0.008 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001185252535 1071509977 /nfs/dbraw/zinc/50/99/77/1071509977.db2.gz SGZFYVCKVQNVFK-NBYUQASBSA-N 1 1 415.538 -0.008 20 0 HBADMO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001185252660 1071509894 /nfs/dbraw/zinc/50/98/94/1071509894.db2.gz TULATSNCSNDXFJ-DBXWQHBBSA-N 1 1 401.511 -0.049 20 0 HBADMO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC001185252662 1071509453 /nfs/dbraw/zinc/50/94/53/1071509453.db2.gz TULATSNCSNDXFJ-WAOWUJCRSA-N 1 1 401.511 -0.049 20 0 HBADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185253285 1071509762 /nfs/dbraw/zinc/50/97/62/1071509762.db2.gz WLXNOHQRFMHHDU-DOTOQJQBSA-N 1 1 404.515 -0.221 20 0 HBADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185253289 1071509392 /nfs/dbraw/zinc/50/93/92/1071509392.db2.gz WLXNOHQRFMHHDU-NVXWUHKLSA-N 1 1 404.515 -0.221 20 0 HBADMO C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185253291 1071510633 /nfs/dbraw/zinc/51/06/33/1071510633.db2.gz WLXNOHQRFMHHDU-RDJZCZTQSA-N 1 1 404.515 -0.221 20 0 HBADMO C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185253293 1071510698 /nfs/dbraw/zinc/51/06/98/1071510698.db2.gz WLXNOHQRFMHHDU-WBVHZDCISA-N 1 1 404.515 -0.221 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185253537 1071510879 /nfs/dbraw/zinc/51/08/79/1071510879.db2.gz WTHWMXSVQLYDQI-INIZCTEOSA-N 1 1 414.514 -0.823 20 0 HBADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CC2 ZINC001185253544 1071510673 /nfs/dbraw/zinc/51/06/73/1071510673.db2.gz WTHWMXSVQLYDQI-MRXNPFEDSA-N 1 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1 1 415.494 -0.036 20 0 HBADMO COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4C[N@@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258500 1071510842 /nfs/dbraw/zinc/51/08/42/1071510842.db2.gz UMLOMOBEZZTPNT-LAUBAEHRSA-N 1 1 415.494 -0.036 20 0 HBADMO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4C[N@@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258501 1071510551 /nfs/dbraw/zinc/51/05/51/1071510551.db2.gz UMLOMOBEZZTPNT-UTKZUKDTSA-N 1 1 415.494 -0.036 20 0 HBADMO COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4C[N@@H+](C)CCN4C)C3)C2=O)cc1 ZINC001185258502 1071510463 /nfs/dbraw/zinc/51/04/63/1071510463.db2.gz UMLOMOBEZZTPNT-UWJYYQICSA-N 1 1 415.494 -0.036 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001185269818 1071510421 /nfs/dbraw/zinc/51/04/21/1071510421.db2.gz QCCXHWPDUBKHTB-KURKYZTESA-N 1 1 419.526 -0.709 20 0 HBADMO CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[N@@H+](C)CCN1C)C(N)=O ZINC001185269819 1071510719 /nfs/dbraw/zinc/51/07/19/1071510719.db2.gz QCCXHWPDUBKHTB-SQNIBIBYSA-N 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/nfs/dbraw/zinc/54/26/55/1071542655.db2.gz BUXRGHDMXZXNSO-GJZGRUSLSA-N 1 1 407.471 -0.901 20 0 HBADMO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC001186100684 1071542577 /nfs/dbraw/zinc/54/25/77/1071542577.db2.gz BUXRGHDMXZXNSO-LSDHHAIUSA-N 1 1 407.471 -0.901 20 0 HBADMO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)C[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC001186100684 1071542572 /nfs/dbraw/zinc/54/25/72/1071542572.db2.gz BUXRGHDMXZXNSO-LSDHHAIUSA-N 1 1 407.471 -0.901 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101089 1071542722 /nfs/dbraw/zinc/54/27/22/1071542722.db2.gz PMQVHTXUNWTKCE-FTRWYGJKSA-N 1 1 411.499 -0.264 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101090 1071542710 /nfs/dbraw/zinc/54/27/10/1071542710.db2.gz PMQVHTXUNWTKCE-RZQQEMMASA-N 1 1 411.499 -0.264 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)C1 ZINC001186101091 1071542516 /nfs/dbraw/zinc/54/25/16/1071542516.db2.gz PMQVHTXUNWTKCE-TWOQFEAHSA-N 1 1 411.499 -0.264 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)C1 ZINC001186101092 1071542296 /nfs/dbraw/zinc/54/22/96/1071542296.db2.gz PMQVHTXUNWTKCE-YRNRMSPPSA-N 1 1 411.499 -0.264 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3onc(COCC(=O)N(C)C)c3C2)C1 ZINC001186101123 1071542666 /nfs/dbraw/zinc/54/26/66/1071542666.db2.gz QQXSGZPOSGZTSL-ZDUSSCGKSA-N 1 1 408.455 -0.341 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3onc(COCC(=O)N(C)C)c3C2)C1 ZINC001186101123 1071542665 /nfs/dbraw/zinc/54/26/65/1071542665.db2.gz QQXSGZPOSGZTSL-ZDUSSCGKSA-N 1 1 408.455 -0.341 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(=O)NC[C@@]23CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001186101137 1071542625 /nfs/dbraw/zinc/54/26/25/1071542625.db2.gz RCFYOUFZKGFJFU-VBKZILBWSA-N 1 1 424.498 -0.181 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(=O)NC[C@@]23CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001186101137 1071542620 /nfs/dbraw/zinc/54/26/20/1071542620.db2.gz RCFYOUFZKGFJFU-VBKZILBWSA-N 1 1 424.498 -0.181 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC(=O)NC[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001186101138 1071542681 /nfs/dbraw/zinc/54/26/81/1071542681.db2.gz RCFYOUFZKGFJFU-XOBRGWDASA-N 1 1 424.498 -0.181 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CC(=O)NC[C@]23CCN(C(=O)OC(C)(C)C)C3)C1 ZINC001186101138 1071542678 /nfs/dbraw/zinc/54/26/78/1071542678.db2.gz RCFYOUFZKGFJFU-XOBRGWDASA-N 1 1 424.498 -0.181 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)C1 ZINC001186101249 1071542597 /nfs/dbraw/zinc/54/25/97/1071542597.db2.gz RMFUARMZTXOLGQ-HZMVEIRTSA-N 1 1 409.483 -0.244 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001186105248 1071542694 /nfs/dbraw/zinc/54/26/94/1071542694.db2.gz AMQCNLVCLPZPFE-JXFKEZNVSA-N 1 1 419.482 -0.594 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001186105248 1071542691 /nfs/dbraw/zinc/54/26/91/1071542691.db2.gz AMQCNLVCLPZPFE-JXFKEZNVSA-N 1 1 419.482 -0.594 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001186105249 1071542448 /nfs/dbraw/zinc/54/24/48/1071542448.db2.gz AMQCNLVCLPZPFE-OXJNMPFZSA-N 1 1 419.482 -0.594 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)C1 ZINC001186105249 1071542441 /nfs/dbraw/zinc/54/24/41/1071542441.db2.gz AMQCNLVCLPZPFE-OXJNMPFZSA-N 1 1 419.482 -0.594 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)C1 ZINC001186105250 1071542490 /nfs/dbraw/zinc/54/24/90/1071542490.db2.gz ANMYUNJZFBLNSW-HRAATJIYSA-N 1 1 422.526 -0.153 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C(C)C)C[C@@]3(CCCC(=O)N3)C2)C1 ZINC001186105250 1071542475 /nfs/dbraw/zinc/54/24/75/1071542475.db2.gz ANMYUNJZFBLNSW-HRAATJIYSA-N 1 1 422.526 -0.153 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)C1 ZINC001186105251 1071542674 /nfs/dbraw/zinc/54/26/74/1071542674.db2.gz ANMYUNJZFBLNSW-KKSFZXQISA-N 1 1 422.526 -0.153 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)C(C)C)C[C@]3(CCCC(=O)N3)C2)C1 ZINC001186105251 1071542672 /nfs/dbraw/zinc/54/26/72/1071542672.db2.gz ANMYUNJZFBLNSW-KKSFZXQISA-N 1 1 422.526 -0.153 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)C1 ZINC001186105295 1071542416 /nfs/dbraw/zinc/54/24/16/1071542416.db2.gz CHAFGXNELLBBIQ-HOTGVXAUSA-N 1 1 403.483 -0.041 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)C1 ZINC001186105295 1071542406 /nfs/dbraw/zinc/54/24/06/1071542406.db2.gz CHAFGXNELLBBIQ-HOTGVXAUSA-N 1 1 403.483 -0.041 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)C1 ZINC001186105296 1071543422 /nfs/dbraw/zinc/54/34/22/1071543422.db2.gz CHAFGXNELLBBIQ-JKSUJKDBSA-N 1 1 403.483 -0.041 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)C1 ZINC001186105296 1071543412 /nfs/dbraw/zinc/54/34/12/1071543412.db2.gz CHAFGXNELLBBIQ-JKSUJKDBSA-N 1 1 403.483 -0.041 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)C1 ZINC001186105326 1071543182 /nfs/dbraw/zinc/54/31/82/1071543182.db2.gz CZTYTCFGIXNKLD-INIZCTEOSA-N 1 1 418.494 -0.641 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)C1 ZINC001186105533 1071543091 /nfs/dbraw/zinc/54/30/91/1071543091.db2.gz DQXJUUVADYLDHA-FVJLSDCUSA-N 1 1 423.510 -0.405 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)C1 ZINC001186105540 1071543292 /nfs/dbraw/zinc/54/32/92/1071543292.db2.gz DTWAUCVSOHWIFJ-KMANFZQXSA-N 1 1 419.482 -0.597 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)C1 ZINC001186105682 1071543217 /nfs/dbraw/zinc/54/32/17/1071543217.db2.gz GAYOLNPGTGLACT-ILXRZTDVSA-N 1 1 402.517 -0.932 20 0 HBADMO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186105700 1071543436 /nfs/dbraw/zinc/54/34/36/1071543436.db2.gz GQIRNTHZEGFWEE-DZGCQCFKSA-N 1 1 417.470 -0.469 20 0 HBADMO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001186105701 1071543310 /nfs/dbraw/zinc/54/33/10/1071543310.db2.gz GQIRNTHZEGFWEE-ZFWWWQNUSA-N 1 1 417.470 -0.469 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)C1 ZINC001186105727 1071543274 /nfs/dbraw/zinc/54/32/74/1071543274.db2.gz HXOAQYBMEVKRPN-MIALQEHNSA-N 1 1 423.510 -0.121 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)C1 ZINC001186105957 1071543330 /nfs/dbraw/zinc/54/33/30/1071543330.db2.gz IWGNPLSWBBKKSL-KLZNWCGWSA-N 1 1 404.467 -0.524 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)C1 ZINC001186105961 1071543544 /nfs/dbraw/zinc/54/35/44/1071543544.db2.gz JCVNEALRYMGSOR-LJIGWXMPSA-N 1 1 419.482 -0.597 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)C1 ZINC001186105987 1071543056 /nfs/dbraw/zinc/54/30/56/1071543056.db2.gz KAZLAHXEURLAPO-FVJLSDCUSA-N 1 1 423.510 -0.120 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)C1 ZINC001186105992 1071543347 /nfs/dbraw/zinc/54/33/47/1071543347.db2.gz KDPRAFSJAWUBLU-DLBZAZTESA-N 1 1 423.510 -0.262 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)C1 ZINC001186105993 1071543248 /nfs/dbraw/zinc/54/32/48/1071543248.db2.gz KDPRAFSJAWUBLU-IRXDYDNUSA-N 1 1 423.510 -0.262 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)C1 ZINC001186106008 1071543370 /nfs/dbraw/zinc/54/33/70/1071543370.db2.gz KPBFBZRMHGTFDF-JXFKEZNVSA-N 1 1 411.499 -0.406 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)C1 ZINC001186106008 1071543366 /nfs/dbraw/zinc/54/33/66/1071543366.db2.gz KPBFBZRMHGTFDF-JXFKEZNVSA-N 1 1 411.499 -0.406 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)C1 ZINC001186106009 1071543158 /nfs/dbraw/zinc/54/31/58/1071543158.db2.gz KPBFBZRMHGTFDF-OXJNMPFZSA-N 1 1 411.499 -0.406 20 0 HBADMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)C1 ZINC001186106009 1071543141 /nfs/dbraw/zinc/54/31/41/1071543141.db2.gz KPBFBZRMHGTFDF-OXJNMPFZSA-N 1 1 411.499 -0.406 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)C1 ZINC001186106361 1071543467 /nfs/dbraw/zinc/54/34/67/1071543467.db2.gz MSOKBOIGIJPUFI-MLHJIOFPSA-N 1 1 423.510 -0.549 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)C1 ZINC001186106371 1071544091 /nfs/dbraw/zinc/54/40/91/1071544091.db2.gz MZQVUKPAMFSCPQ-MGPUTAFESA-N 1 1 408.499 -0.589 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)C1 ZINC001186106372 1071544372 /nfs/dbraw/zinc/54/43/72/1071544372.db2.gz MZQVUKPAMFSCPQ-YWZLYKJASA-N 1 1 408.499 -0.589 20 0 HBADMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)C1 ZINC001186106389 1071543987 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ZINC001187079393 1071583462 /nfs/dbraw/zinc/58/34/62/1071583462.db2.gz QLDGHAXGPVHNTQ-VTYCOLDWSA-N 1 1 410.522 -0.254 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@H]32)[C@@H]2NCN[C@@H]21 ZINC001187079394 1071583446 /nfs/dbraw/zinc/58/34/46/1071583446.db2.gz QLDGHAXGPVHNTQ-XHHHBCLVSA-N 1 1 410.522 -0.254 20 0 HBADMO CC(C)(C)OC(=O)NCCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001187281957 1071586274 /nfs/dbraw/zinc/58/62/74/1071586274.db2.gz WTJZILOWHUEFSY-BZSNNMDCSA-N 1 1 404.515 -0.185 20 0 HBADMO CC(C)(C)OC(=O)NCCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001187281959 1071586265 /nfs/dbraw/zinc/58/62/65/1071586265.db2.gz WTJZILOWHUEFSY-FGTMMUONSA-N 1 1 404.515 -0.185 20 0 HBADMO CC(C)(C)OC(=O)NCCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001187281962 1071586294 /nfs/dbraw/zinc/58/62/94/1071586294.db2.gz WTJZILOWHUEFSY-OKZBNKHCSA-N 1 1 404.515 -0.185 20 0 HBADMO CC(C)(C)OC(=O)NCCc1ccc(CC(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001187281965 1071586285 /nfs/dbraw/zinc/58/62/85/1071586285.db2.gz WTJZILOWHUEFSY-SQNIBIBYSA-N 1 1 404.515 -0.185 20 0 HBADMO CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC001187298626 1071587868 /nfs/dbraw/zinc/58/78/68/1071587868.db2.gz HPYFCHCJWZBXQA-HNNXBMFYSA-N 1 1 407.533 -0.048 20 0 HBADMO CC(C)(C)OC(=O)N1CCO[C@H](CS(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC001187298626 1071587864 /nfs/dbraw/zinc/58/78/64/1071587864.db2.gz HPYFCHCJWZBXQA-HNNXBMFYSA-N 1 1 407.533 -0.048 20 0 HBADMO CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)C1 ZINC001187298627 1071587776 /nfs/dbraw/zinc/58/77/76/1071587776.db2.gz HPYFCHCJWZBXQA-OAHLLOKOSA-N 1 1 407.533 -0.048 20 0 HBADMO CC(C)(C)OC(=O)N1CCO[C@@H](CS(=O)(=O)N2CCC[N@H+](CCO)CC2)C1 ZINC001187298627 1071587773 /nfs/dbraw/zinc/58/77/73/1071587773.db2.gz HPYFCHCJWZBXQA-OAHLLOKOSA-N 1 1 407.533 -0.048 20 0 HBADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2CCCO[C@H]12 ZINC001187512367 1071590869 /nfs/dbraw/zinc/59/08/69/1071590869.db2.gz CLDXYGHYBTXARG-XLSPSMHOSA-N 1 1 415.494 -0.333 20 0 HBADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2CCCO[C@H]12 ZINC001187512367 1071590858 /nfs/dbraw/zinc/59/08/58/1071590858.db2.gz CLDXYGHYBTXARG-XLSPSMHOSA-N 1 1 415.494 -0.333 20 0 HBADMO CO[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001187512371 1071590793 /nfs/dbraw/zinc/59/07/93/1071590793.db2.gz CQARDWCAPYRKKU-WNRNVDISSA-N 1 1 415.494 -0.476 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001187516376 1071590265 /nfs/dbraw/zinc/59/02/65/1071590265.db2.gz BNNBRLLJEDIASO-AWEZNQCLSA-N 1 1 401.471 -0.880 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001187516812 1071591850 /nfs/dbraw/zinc/59/18/50/1071591850.db2.gz FILVHEMKLGQZAN-BBWFWOEESA-N 1 1 401.467 -0.722 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001187516813 1071592014 /nfs/dbraw/zinc/59/20/14/1071592014.db2.gz FILVHEMKLGQZAN-IKGGRYGDSA-N 1 1 401.467 -0.722 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001187516814 1071591939 /nfs/dbraw/zinc/59/19/39/1071591939.db2.gz FILVHEMKLGQZAN-ULQDDVLXSA-N 1 1 401.467 -0.722 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001187516815 1071591873 /nfs/dbraw/zinc/59/18/73/1071591873.db2.gz FILVHEMKLGQZAN-ZACQAIPSSA-N 1 1 401.467 -0.722 20 0 HBADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)CCC2 ZINC001187517428 1071592948 /nfs/dbraw/zinc/59/29/48/1071592948.db2.gz LTSGJUKZIHLERW-HNNXBMFYSA-N 1 1 418.498 -0.789 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001187517439 1071592798 /nfs/dbraw/zinc/59/27/98/1071592798.db2.gz MEDDGXUTUSGFHE-OIISXLGYSA-N 1 1 404.442 -0.116 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001187517440 1071592839 /nfs/dbraw/zinc/59/28/39/1071592839.db2.gz MEDDGXUTUSGFHE-PVAVHDDUSA-N 1 1 404.442 -0.116 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001187517441 1071592979 /nfs/dbraw/zinc/59/29/79/1071592979.db2.gz MEDDGXUTUSGFHE-UAGQMJEPSA-N 1 1 404.442 -0.116 20 0 HBADMO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001187517442 1071592899 /nfs/dbraw/zinc/59/28/99/1071592899.db2.gz MEDDGXUTUSGFHE-XIRDDKMYSA-N 1 1 404.442 -0.116 20 0 HBADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC[C@@H]21 ZINC001187517488 1071592872 /nfs/dbraw/zinc/59/28/72/1071592872.db2.gz OAQZMCQIHZPJLE-OWSLCNJRSA-N 1 1 416.526 -0.022 20 0 HBADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)CNC(=O)[C@@H]4CCC(=O)N4)C3)O2)CC1 ZINC001187517991 1071592933 /nfs/dbraw/zinc/59/29/33/1071592933.db2.gz TYVZZWPWRQCCSX-LLGFUMIMSA-N 1 1 421.542 -0.831 20 0 HBADMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](CNC(=O)CNC(=O)[C@@H]3CCC(=O)N3)C[C@H]2C1 ZINC001187521271 1071594194 /nfs/dbraw/zinc/59/41/94/1071594194.db2.gz YBPPDCDQDLRGQN-ILXRZTDVSA-N 1 1 423.514 -0.561 20 0 HBADMO COC(=O)[C@@]1(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccccc2)C1 ZINC001187524591 1071594372 /nfs/dbraw/zinc/59/43/72/1071594372.db2.gz RDGRBXYCUCUTJT-MGPUTAFESA-N 1 1 402.451 -0.685 20 0 HBADMO COC(=O)[C@]1(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC[N@@H+](Cc2ccccc2)C1 ZINC001187524592 1071594316 /nfs/dbraw/zinc/59/43/16/1071594316.db2.gz RDGRBXYCUCUTJT-YWZLYKJASA-N 1 1 402.451 -0.685 20 0 HBADMO COCC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187532701 1071595283 /nfs/dbraw/zinc/59/52/83/1071595283.db2.gz PYVNDPFBGIMPJZ-ROUUACIJSA-N 1 1 402.495 -0.217 20 0 HBADMO C[N@@H+](C1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)C1)[C@H]1CCOC1 ZINC001187533342 1071595245 /nfs/dbraw/zinc/59/52/45/1071595245.db2.gz CRYVXHYFKQHNQM-WDSOQIARSA-N 1 1 414.506 -0.076 20 0 HBADMO O=C(NCC[NH+]1CC2(COC2)C1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541208 1071596349 /nfs/dbraw/zinc/59/63/49/1071596349.db2.gz HELUTLUCYYEQLZ-IRXDYDNUSA-N 1 1 400.479 -0.559 20 0 HBADMO C[N@H+]1CCCN(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001187542548 1071596266 /nfs/dbraw/zinc/59/62/66/1071596266.db2.gz TWGIGIFQZWNVNL-OALUTQOASA-N 1 1 415.538 -0.254 20 0 HBADMO CCS(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c(Cl)c1Cl ZINC001187894061 1071599731 /nfs/dbraw/zinc/59/97/31/1071599731.db2.gz AFPJKZDYDGIXAT-AGIUHOORSA-N 1 1 408.311 -0.080 20 0 HBADMO CCS(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c(Cl)c1Cl ZINC001187894069 1071599750 /nfs/dbraw/zinc/59/97/50/1071599750.db2.gz AFPJKZDYDGIXAT-AVGNSLFASA-N 1 1 408.311 -0.080 20 0 HBADMO CCS(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c(Cl)c1Cl ZINC001187894072 1071599707 /nfs/dbraw/zinc/59/97/07/1071599707.db2.gz AFPJKZDYDGIXAT-FRRDWIJNSA-N 1 1 408.311 -0.080 20 0 HBADMO CCS(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c(Cl)c1Cl ZINC001187894075 1071599658 /nfs/dbraw/zinc/59/96/58/1071599658.db2.gz AFPJKZDYDGIXAT-RWMBFGLXSA-N 1 1 408.311 -0.080 20 0 HBADMO COC(=O)CCS(=O)(=O)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001188369503 1071605526 /nfs/dbraw/zinc/60/55/26/1071605526.db2.gz DCXLDJUQPHTKHA-UHFFFAOYSA-N 1 1 405.517 -0.618 20 0 HBADMO COC(=O)CCS(=O)(=O)N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001188369503 1071605521 /nfs/dbraw/zinc/60/55/21/1071605521.db2.gz DCXLDJUQPHTKHA-UHFFFAOYSA-N 1 1 405.517 -0.618 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2sc(Br)nc2Br)[C@H]2NCN[C@H]21 ZINC001188385323 1071606539 /nfs/dbraw/zinc/60/65/39/1071606539.db2.gz QCZNENYQUVAMBH-KRNXVWKMSA-N 1 1 412.111 -0.199 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2sc(Br)nc2Br)[C@@H]2NCN[C@@H]21 ZINC001188385324 1071606607 /nfs/dbraw/zinc/60/66/07/1071606607.db2.gz QCZNENYQUVAMBH-NRYKZSQYSA-N 1 1 412.111 -0.199 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2sc(Br)nc2Br)[C@@H]2NCN[C@H]21 ZINC001188385325 1071606426 /nfs/dbraw/zinc/60/64/26/1071606426.db2.gz QCZNENYQUVAMBH-TYMKMJBOSA-N 1 1 412.111 -0.199 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2sc(Br)nc2Br)[C@H]2NCN[C@@H]21 ZINC001188385326 1071606418 /nfs/dbraw/zinc/60/64/18/1071606418.db2.gz QCZNENYQUVAMBH-YLGFNEOPSA-N 1 1 412.111 -0.199 20 0 HBADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC001188459262 1071608348 /nfs/dbraw/zinc/60/83/48/1071608348.db2.gz FNGPVBAODKKJFM-HNNXBMFYSA-N 1 1 408.480 -0.055 20 0 HBADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC001188459263 1071608419 /nfs/dbraw/zinc/60/84/19/1071608419.db2.gz FNGPVBAODKKJFM-OAHLLOKOSA-N 1 1 408.480 -0.055 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2NCN[C@H]21 ZINC001188565947 1071610483 /nfs/dbraw/zinc/61/04/83/1071610483.db2.gz LOPIPVYFVUVBDU-FFGOWVMKSA-N 1 1 424.509 -0.817 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]2NCN[C@H]21 ZINC001188565966 1071610470 /nfs/dbraw/zinc/61/04/70/1071610470.db2.gz LOPIPVYFVUVBDU-IJXRJRJASA-N 1 1 424.509 -0.817 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)[C@H]2NCN[C@@H]21 ZINC001188565969 1071610538 /nfs/dbraw/zinc/61/05/38/1071610538.db2.gz LOPIPVYFVUVBDU-MTFMMBMASA-N 1 1 424.509 -0.817 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncnc2[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2NCN[C@@H]21 ZINC001188565973 1071610578 /nfs/dbraw/zinc/61/05/78/1071610578.db2.gz LOPIPVYFVUVBDU-NBYUQASBSA-N 1 1 424.509 -0.817 20 0 HBADMO CCCNC(=O)CN(C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001188617848 1071611702 /nfs/dbraw/zinc/61/17/02/1071611702.db2.gz LEYMXLBXJHYIFP-DXVJZZFXSA-N 1 1 418.538 -0.073 20 0 HBADMO CCCNC(=O)CN(C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001188617848 1071611698 /nfs/dbraw/zinc/61/16/98/1071611698.db2.gz LEYMXLBXJHYIFP-DXVJZZFXSA-N 1 1 418.538 -0.073 20 0 HBADMO O=C(c1ccncc1O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001188628113 1071612228 /nfs/dbraw/zinc/61/22/28/1071612228.db2.gz WTJLMSMRZSMQMK-GOEBONIOSA-N 1 1 415.475 -0.033 20 0 HBADMO CN(CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1)S(C)(=O)=O ZINC001188629628 1071612350 /nfs/dbraw/zinc/61/23/50/1071612350.db2.gz DJTOTDGZNJHDSQ-SMLCLMEVSA-N 1 1 401.529 -0.538 20 0 HBADMO CN(CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1)S(C)(=O)=O ZINC001188629628 1071612349 /nfs/dbraw/zinc/61/23/49/1071612349.db2.gz DJTOTDGZNJHDSQ-SMLCLMEVSA-N 1 1 401.529 -0.538 20 0 HBADMO CCS(=O)(=O)NCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1 ZINC001188630015 1071612237 /nfs/dbraw/zinc/61/22/37/1071612237.db2.gz JFRWEFWKJQJHBA-SMLCLMEVSA-N 1 1 401.529 -0.490 20 0 HBADMO CCS(=O)(=O)NCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)[C@@H]2C1 ZINC001188630015 1071612236 /nfs/dbraw/zinc/61/22/36/1071612236.db2.gz JFRWEFWKJQJHBA-SMLCLMEVSA-N 1 1 401.529 -0.490 20 0 HBADMO CN(C)c1ncc(-c2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@H]43)n(CC3CC3)c2)cn1 ZINC001188756908 1071613989 /nfs/dbraw/zinc/61/39/89/1071613989.db2.gz XNTJRIGDHUFWAX-BZSNNMDCSA-N 1 1 411.514 -0.446 20 0 HBADMO CN(C)c1ncc(-c2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@@H]43)n(CC3CC3)c2)cn1 ZINC001188756918 1071613981 /nfs/dbraw/zinc/61/39/81/1071613981.db2.gz XNTJRIGDHUFWAX-FGTMMUONSA-N 1 1 411.514 -0.446 20 0 HBADMO CN(C)c1ncc(-c2cc(C(=O)N3CN[C@H]([NH3+])[C@@H]4NCN[C@@H]43)n(CC3CC3)c2)cn1 ZINC001188756921 1071614459 /nfs/dbraw/zinc/61/44/59/1071614459.db2.gz XNTJRIGDHUFWAX-OKZBNKHCSA-N 1 1 411.514 -0.446 20 0 HBADMO CN(C)c1ncc(-c2cc(C(=O)N3CN[C@H]([NH3+])[C@H]4NCN[C@H]43)n(CC3CC3)c2)cn1 ZINC001188756923 1071614583 /nfs/dbraw/zinc/61/45/83/1071614583.db2.gz XNTJRIGDHUFWAX-SQNIBIBYSA-N 1 1 411.514 -0.446 20 0 HBADMO CO[C@@H]1CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001189428496 1071622343 /nfs/dbraw/zinc/62/23/43/1071622343.db2.gz FRMOZPJUHOMTML-CGTJXYLNSA-N 1 1 413.478 -0.160 20 0 HBADMO Cn1c(=O)cc(C(=O)N2C[C@@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n(C)c1=O ZINC001189429264 1071622878 /nfs/dbraw/zinc/62/28/78/1071622878.db2.gz IMVVBHYWDDZAHR-SUMDDJOVSA-N 1 1 413.478 -0.017 20 0 HBADMO Cn1c(=O)cc(C(=O)N2C[C@@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n(C)c1=O ZINC001189429264 1071622873 /nfs/dbraw/zinc/62/28/73/1071622873.db2.gz IMVVBHYWDDZAHR-SUMDDJOVSA-N 1 1 413.478 -0.017 20 0 HBADMO Cn1c(=O)cc(C(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n(C)c1=O ZINC001189429901 1071622848 /nfs/dbraw/zinc/62/28/48/1071622848.db2.gz LSVAZHBNQYRRRS-IIBYNOLFSA-N 1 1 419.526 -0.515 20 0 HBADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cc(=O)n(C)c(=O)n1C)CCC2 ZINC001189431387 1071623768 /nfs/dbraw/zinc/62/37/68/1071623768.db2.gz YHXKAEDFAVDQLF-UHFFFAOYSA-N 1 1 416.482 -0.473 20 0 HBADMO Cn1c(=O)cc(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)n(C)c1=O ZINC001189437181 1071624446 /nfs/dbraw/zinc/62/44/46/1071624446.db2.gz MEMJOENGKZRJGM-KGLIPLIRSA-N 1 1 421.498 -0.245 20 0 HBADMO COC(=O)[C@]1(NC(=O)c2cc(=O)n(C)c(=O)n2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001189437477 1071624387 /nfs/dbraw/zinc/62/43/87/1071624387.db2.gz RSUGLNFASCVWLP-FQEVSTJZSA-N 1 1 400.435 -0.369 20 0 HBADMO COC(=O)[C@@]1(NC(=O)c2cc(=O)n(C)c(=O)n2C)CC[N@@H+](Cc2ccccc2)C1 ZINC001189437478 1071624342 /nfs/dbraw/zinc/62/43/42/1071624342.db2.gz RSUGLNFASCVWLP-HXUWFJFHSA-N 1 1 400.435 -0.369 20 0 HBADMO COc1cc(S(N)(=O)=O)cc(C(=O)NCCN2CCC[N@@H+](C)CC2)c1OC ZINC001189570169 1071626969 /nfs/dbraw/zinc/62/69/69/1071626969.db2.gz UWJSZVPCTQOACG-UHFFFAOYSA-N 1 1 400.501 -0.282 20 0 HBADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001189796400 1071629885 /nfs/dbraw/zinc/62/98/85/1071629885.db2.gz ZRUJZCXTEVWVTF-IKGGRYGDSA-N 1 1 410.544 -0.370 20 0 HBADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001189796414 1071629915 /nfs/dbraw/zinc/62/99/15/1071629915.db2.gz ZRUJZCXTEVWVTF-IXDOHACOSA-N 1 1 410.544 -0.370 20 0 HBADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001189796420 1071629767 /nfs/dbraw/zinc/62/97/67/1071629767.db2.gz ZRUJZCXTEVWVTF-ULQDDVLXSA-N 1 1 410.544 -0.370 20 0 HBADMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001189796423 1071629832 /nfs/dbraw/zinc/62/98/32/1071629832.db2.gz ZRUJZCXTEVWVTF-YESZJQIVSA-N 1 1 410.544 -0.370 20 0 HBADMO Cc1n[nH]c(C(=O)n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)n1 ZINC001189864280 1071630427 /nfs/dbraw/zinc/63/04/27/1071630427.db2.gz HSOJZCHVOUDROO-QWHCGFSZSA-N 1 1 403.468 -0.707 20 0 HBADMO CCOC(=O)CC[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)C(=O)OCC ZINC001190488194 1071640190 /nfs/dbraw/zinc/64/01/90/1071640190.db2.gz QCHXYCATWCMQTC-AWEZNQCLSA-N 1 1 400.476 -0.275 20 0 HBADMO CCOC(=O)CC[C@H](NC(=O)NC1CC[NH+](CC(=O)NC)CC1)C(=O)OCC ZINC001190495827 1071641840 /nfs/dbraw/zinc/64/18/40/1071641840.db2.gz NYIZCIDAZZXDJK-AWEZNQCLSA-N 1 1 400.476 -0.229 20 0 HBADMO COC(=O)[C@@H]([NH2+]CCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(C)C ZINC001190670177 1071643044 /nfs/dbraw/zinc/64/30/44/1071643044.db2.gz AFCOEAVSTDFJJV-AWEZNQCLSA-N 1 1 407.514 -0.059 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Cl)c(I)c2)[C@H]2NCN[C@H]21 ZINC001190689120 1071644187 /nfs/dbraw/zinc/64/41/87/1071644187.db2.gz URGUVARAOCYPTN-FXBDTBDDSA-N 1 1 408.631 -0.528 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Cl)c(I)c2)[C@@H]2NCN[C@@H]21 ZINC001190689121 1071644260 /nfs/dbraw/zinc/64/42/60/1071644260.db2.gz URGUVARAOCYPTN-QNSHHTMESA-N 1 1 408.631 -0.528 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Cl)c(I)c2)[C@@H]2NCN[C@H]21 ZINC001190689122 1071644301 /nfs/dbraw/zinc/64/43/01/1071644301.db2.gz URGUVARAOCYPTN-SFGNSQDASA-N 1 1 408.631 -0.528 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Cl)c(I)c2)[C@H]2NCN[C@@H]21 ZINC001190689123 1071644227 /nfs/dbraw/zinc/64/42/27/1071644227.db2.gz URGUVARAOCYPTN-SZEHBUNVSA-N 1 1 408.631 -0.528 20 0 HBADMO COC(=O)CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H]1CCCO1 ZINC001191056641 1071649796 /nfs/dbraw/zinc/64/97/96/1071649796.db2.gz FNMMFUPZMSWWCG-HNNXBMFYSA-N 1 1 405.517 -0.429 20 0 HBADMO COC(=O)CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H]1CCCO1 ZINC001191056641 1071649792 /nfs/dbraw/zinc/64/97/92/1071649792.db2.gz FNMMFUPZMSWWCG-HNNXBMFYSA-N 1 1 405.517 -0.429 20 0 HBADMO COC(=O)CC[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H]1CCCO1 ZINC001191056642 1071649753 /nfs/dbraw/zinc/64/97/53/1071649753.db2.gz FNMMFUPZMSWWCG-OAHLLOKOSA-N 1 1 405.517 -0.429 20 0 HBADMO COC(=O)CC[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H]1CCCO1 ZINC001191056642 1071649749 /nfs/dbraw/zinc/64/97/49/1071649749.db2.gz FNMMFUPZMSWWCG-OAHLLOKOSA-N 1 1 405.517 -0.429 20 0 HBADMO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001191431727 1071654411 /nfs/dbraw/zinc/65/44/11/1071654411.db2.gz VRMNOFBMIJJOLH-UWGWQUPMSA-N 1 1 404.511 -0.319 20 0 HBADMO C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001191431727 1071654406 /nfs/dbraw/zinc/65/44/06/1071654406.db2.gz VRMNOFBMIJJOLH-UWGWQUPMSA-N 1 1 404.511 -0.319 20 0 HBADMO C[N@@H+](CC(=O)NCC(=O)N1CCCC1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001191431728 1071654338 /nfs/dbraw/zinc/65/43/38/1071654338.db2.gz VRMNOFBMIJJOLH-YYXZMQKJSA-N 1 1 404.511 -0.319 20 0 HBADMO C[N@H+](CC(=O)NCC(=O)N1CCCC1)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001191431728 1071654333 /nfs/dbraw/zinc/65/43/33/1071654333.db2.gz VRMNOFBMIJJOLH-YYXZMQKJSA-N 1 1 404.511 -0.319 20 0 HBADMO CCOC(=O)C1CCN(S(=O)(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC1 ZINC001191810823 1071660456 /nfs/dbraw/zinc/66/04/56/1071660456.db2.gz SLGOWIYAYVGRSA-INIZCTEOSA-N 1 1 416.544 -0.209 20 0 HBADMO CCOC(=O)C1CCN(S(=O)(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC001191810824 1071660448 /nfs/dbraw/zinc/66/04/48/1071660448.db2.gz SLGOWIYAYVGRSA-MRXNPFEDSA-N 1 1 416.544 -0.209 20 0 HBADMO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC001191925096 1071661624 /nfs/dbraw/zinc/66/16/24/1071661624.db2.gz LEWAQOPXHGFQGT-JKSUJKDBSA-N 1 1 417.553 -0.045 20 0 HBADMO CCCS(=O)(=O)NCc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC001191925096 1071661618 /nfs/dbraw/zinc/66/16/18/1071661618.db2.gz LEWAQOPXHGFQGT-JKSUJKDBSA-N 1 1 417.553 -0.045 20 0 HBADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001191925144 1071661662 /nfs/dbraw/zinc/66/16/62/1071661662.db2.gz MBYRFAFJXVLFAS-NWDGAFQWSA-N 1 1 404.286 -0.013 20 0 HBADMO NC(=O)c1cc(Br)cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC001191925144 1071661658 /nfs/dbraw/zinc/66/16/58/1071661658.db2.gz MBYRFAFJXVLFAS-NWDGAFQWSA-N 1 1 404.286 -0.013 20 0 HBADMO COc1cc(C)c(I)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@H]21 ZINC001192051980 1071663904 /nfs/dbraw/zinc/66/39/04/1071663904.db2.gz ZEBKYBBZFBEGEF-AGIUHOORSA-N 1 1 417.251 -0.259 20 0 HBADMO COc1cc(C)c(I)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@H]21 ZINC001192051981 1071664021 /nfs/dbraw/zinc/66/40/21/1071664021.db2.gz ZEBKYBBZFBEGEF-AVGNSLFASA-N 1 1 417.251 -0.259 20 0 HBADMO COc1cc(C)c(I)cc1C(=O)N1CN[C@H]([NH3+])[C@H]2NCN[C@@H]21 ZINC001192051983 1071663997 /nfs/dbraw/zinc/66/39/97/1071663997.db2.gz ZEBKYBBZFBEGEF-FRRDWIJNSA-N 1 1 417.251 -0.259 20 0 HBADMO COc1cc(C)c(I)cc1C(=O)N1CN[C@H]([NH3+])[C@@H]2NCN[C@@H]21 ZINC001192051984 1071663916 /nfs/dbraw/zinc/66/39/16/1071663916.db2.gz ZEBKYBBZFBEGEF-RWMBFGLXSA-N 1 1 417.251 -0.259 20 0 HBADMO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCOCC1 ZINC001192337841 1071666144 /nfs/dbraw/zinc/66/61/44/1071666144.db2.gz UTFVYCYDUYKAEO-UHFFFAOYSA-N 1 1 410.496 -0.277 20 0 HBADMO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)N1CCOCC1 ZINC001192337841 1071666138 /nfs/dbraw/zinc/66/61/38/1071666138.db2.gz UTFVYCYDUYKAEO-UHFFFAOYSA-N 1 1 410.496 -0.277 20 0 HBADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)CC1 ZINC001192369911 1071666858 /nfs/dbraw/zinc/66/68/58/1071666858.db2.gz OJAGQCUBJGGIBU-UHFFFAOYSA-N 1 1 401.533 -0.594 20 0 HBADMO CCOC(=O)C(C)(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001193033912 1071676193 /nfs/dbraw/zinc/67/61/93/1071676193.db2.gz GNXAKDWZUFSHFW-HUUCEWRRSA-N 1 1 419.544 -0.231 20 0 HBADMO CCOC(=O)C(C)(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001193033912 1071676189 /nfs/dbraw/zinc/67/61/89/1071676189.db2.gz GNXAKDWZUFSHFW-HUUCEWRRSA-N 1 1 419.544 -0.231 20 0 HBADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)C1 ZINC001193232680 1071681844 /nfs/dbraw/zinc/68/18/44/1071681844.db2.gz AYKLTFGSRUTHGR-INIZCTEOSA-N 1 1 403.545 -0.002 20 0 HBADMO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(S(=O)(=O)C[C@@H]3CCCO3)CC2)C1 ZINC001193232680 1071681841 /nfs/dbraw/zinc/68/18/41/1071681841.db2.gz AYKLTFGSRUTHGR-INIZCTEOSA-N 1 1 403.545 -0.002 20 0 HBADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(S(=O)(=O)C[C@H]3CCCO3)CC2)C1 ZINC001193232687 1071681852 /nfs/dbraw/zinc/68/18/52/1071681852.db2.gz AYKLTFGSRUTHGR-MRXNPFEDSA-N 1 1 403.545 -0.002 20 0 HBADMO 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[NH3+][C@@H]1NCN(C(=O)c2ccc(N3CCOCC3)c(Br)c2)[C@H]2NCN[C@H]21 ZINC001194345038 1071701415 /nfs/dbraw/zinc/70/14/15/1071701415.db2.gz SDKAWBXIQDJUBV-RRFJBIMHSA-N 1 1 411.304 -0.582 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(N3CCOCC3)c(Br)c2)[C@@H]2NCN[C@H]21 ZINC001194345041 1071701487 /nfs/dbraw/zinc/70/14/87/1071701487.db2.gz SDKAWBXIQDJUBV-ZNMIVQPWSA-N 1 1 411.304 -0.582 20 0 HBADMO O=C(c1ccc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1)N1CCOCC1 ZINC001194424063 1071702342 /nfs/dbraw/zinc/70/23/42/1071702342.db2.gz CMQRIFKMJRWXGD-DLBZAZTESA-N 1 1 409.508 -0.011 20 0 HBADMO Cc1nc(S(=O)(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c(Br)n1C ZINC001194484749 1071703090 /nfs/dbraw/zinc/70/30/90/1071703090.db2.gz UFRVTQRYOCVBER-UHFFFAOYSA-N 1 1 408.322 -0.114 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccn(CCOC)c3=O)C2)C1 ZINC001194490653 1071703524 /nfs/dbraw/zinc/70/35/24/1071703524.db2.gz AXLLQMWVPXULFM-NRFANRHFSA-N 1 1 420.510 -0.205 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cccn(CCOC)c3=O)C2)C1 ZINC001194490653 1071703513 /nfs/dbraw/zinc/70/35/13/1071703513.db2.gz AXLLQMWVPXULFM-NRFANRHFSA-N 1 1 420.510 -0.205 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cccn(CCOC)c3=O)C2)C1 ZINC001194490654 1071703622 /nfs/dbraw/zinc/70/36/22/1071703622.db2.gz AXLLQMWVPXULFM-OAQYLSRUSA-N 1 1 420.510 -0.205 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cccn(CCOC)c3=O)C2)C1 ZINC001194490654 1071703613 /nfs/dbraw/zinc/70/36/13/1071703613.db2.gz AXLLQMWVPXULFM-OAQYLSRUSA-N 1 1 420.510 -0.205 20 0 HBADMO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001194505872 1071704176 /nfs/dbraw/zinc/70/41/76/1071704176.db2.gz XAYYSEOISQRJDV-AWEZNQCLSA-N 1 1 422.548 -0.656 20 0 HBADMO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001194505872 1071704169 /nfs/dbraw/zinc/70/41/69/1071704169.db2.gz XAYYSEOISQRJDV-AWEZNQCLSA-N 1 1 422.548 -0.656 20 0 HBADMO C[N@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001194505873 1071704060 /nfs/dbraw/zinc/70/40/60/1071704060.db2.gz XAYYSEOISQRJDV-CQSZACIVSA-N 1 1 422.548 -0.656 20 0 HBADMO C[N@@H+](CC(=O)NC1CCN(S(C)(=O)=O)CC1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC001194505873 1071704052 /nfs/dbraw/zinc/70/40/52/1071704052.db2.gz XAYYSEOISQRJDV-CQSZACIVSA-N 1 1 422.548 -0.656 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)cc2N2CCOCC2)[C@@H]2NCN[C@@H]21 ZINC001194593904 1071704594 /nfs/dbraw/zinc/70/45/94/1071704594.db2.gz WSUONVVECNDRFQ-KFWWJZLASA-N 1 1 411.304 -0.582 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)cc2N2CCOCC2)[C@H]2NCN[C@@H]21 ZINC001194593907 1071704645 /nfs/dbraw/zinc/70/46/45/1071704645.db2.gz WSUONVVECNDRFQ-RBSFLKMASA-N 1 1 411.304 -0.582 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)cc2N2CCOCC2)[C@H]2NCN[C@H]21 ZINC001194593909 1071704548 /nfs/dbraw/zinc/70/45/48/1071704548.db2.gz WSUONVVECNDRFQ-RRFJBIMHSA-N 1 1 411.304 -0.582 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2ccc(Br)cc2N2CCOCC2)[C@@H]2NCN[C@H]21 ZINC001194593983 1071704510 /nfs/dbraw/zinc/70/45/10/1071704510.db2.gz WSUONVVECNDRFQ-ZNMIVQPWSA-N 1 1 411.304 -0.582 20 0 HBADMO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)N(CCCC[NH3+])C(=N)N)CC1 ZINC001194649631 1071706173 /nfs/dbraw/zinc/70/61/73/1071706173.db2.gz RBJYXEAANDYHCS-UHFFFAOYSA-N 1 1 410.544 -0.084 20 0 HBADMO CN(CC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001194656066 1071705992 /nfs/dbraw/zinc/70/59/92/1071705992.db2.gz OTNXYZKJGIYIFF-INIZCTEOSA-N 1 1 401.529 -0.006 20 0 HBADMO CN(CC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1)c1ccc(S(N)(=O)=O)cc1 ZINC001194656069 1071706152 /nfs/dbraw/zinc/70/61/52/1071706152.db2.gz OTNXYZKJGIYIFF-MRXNPFEDSA-N 1 1 401.529 -0.006 20 0 HBADMO COc1ncccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001194687463 1071707558 /nfs/dbraw/zinc/70/75/58/1071707558.db2.gz WNMPFVOHACAFAR-HUUCEWRRSA-N 1 1 412.512 -0.110 20 0 HBADMO COc1ncccc1S(=O)(=O)N1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001194687463 1071707553 /nfs/dbraw/zinc/70/75/53/1071707553.db2.gz WNMPFVOHACAFAR-HUUCEWRRSA-N 1 1 412.512 -0.110 20 0 HBADMO Cn1cc([C@H]([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)C2(CO)CCC2)cn1 ZINC001194692615 1071707802 /nfs/dbraw/zinc/70/78/02/1071707802.db2.gz QHEVYZCDXUGPFJ-KRWDZBQOSA-N 1 1 413.544 -0.246 20 0 HBADMO Cn1cc([C@@H]([NH2+]CC(=O)NC2CCN(S(C)(=O)=O)CC2)C2(CO)CCC2)cn1 ZINC001194692616 1071707764 /nfs/dbraw/zinc/70/77/64/1071707764.db2.gz QHEVYZCDXUGPFJ-QGZVFWFLSA-N 1 1 413.544 -0.246 20 0 HBADMO CNS(=O)(=O)N1CC[NH+](CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC001194772579 1071708687 /nfs/dbraw/zinc/70/86/87/1071708687.db2.gz PLWSCLPJZFQHBO-UHFFFAOYSA-N 1 1 409.512 -0.011 20 0 HBADMO CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(S(=O)(=O)C3CCC(=O)CC3)CC[C@@H]2C1 ZINC001194774971 1071708749 /nfs/dbraw/zinc/70/87/49/1071708749.db2.gz HZUSQTMUVFXUQW-RHSMWYFYSA-N 1 1 401.529 -0.061 20 0 HBADMO CN(C)C(=O)C[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)C3CCC(=O)CC3)CC[C@@H]2C1 ZINC001194774971 1071708744 /nfs/dbraw/zinc/70/87/44/1071708744.db2.gz HZUSQTMUVFXUQW-RHSMWYFYSA-N 1 1 401.529 -0.061 20 0 HBADMO CC(=O)N1CCc2sc(S(=O)(=O)NCC(=O)N3CC[NH+](C)CC3)cc2C1 ZINC001194841615 1071710885 /nfs/dbraw/zinc/71/08/85/1071710885.db2.gz FECYIINJUPHLKR-UHFFFAOYSA-N 1 1 400.526 -0.295 20 0 HBADMO COC(=O)c1c(OC)ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c1OC ZINC001194841817 1071710873 /nfs/dbraw/zinc/71/08/73/1071710873.db2.gz GNAAERMCFGMDAY-UHFFFAOYSA-N 1 1 415.468 -0.457 20 0 HBADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC001194841865 1071710777 /nfs/dbraw/zinc/71/07/77/1071710777.db2.gz HLUOKBVHVLUQHK-UHFFFAOYSA-N 1 1 409.917 -0.204 20 0 HBADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC001194842069 1071710857 /nfs/dbraw/zinc/71/08/57/1071710857.db2.gz JHRHWEXLUITUOP-UHFFFAOYSA-N 1 1 416.525 -0.721 20 0 HBADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC001194842181 1071710696 /nfs/dbraw/zinc/71/06/96/1071710696.db2.gz MFAVACHZZZXHPC-UHFFFAOYSA-N 1 1 422.507 -0.244 20 0 HBADMO COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCC(=O)N2CC[NH+](C)CC2)c1 ZINC001194842383 1071710844 /nfs/dbraw/zinc/71/08/44/1071710844.db2.gz PZSZPNGDHBJLKD-UHFFFAOYSA-N 1 1 413.452 -0.688 20 0 HBADMO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 ZINC001194842516 1071710822 /nfs/dbraw/zinc/71/08/22/1071710822.db2.gz SNFAOXLIIFHQRI-UHFFFAOYSA-N 1 1 419.301 -0.400 20 0 HBADMO CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCC(=O)N3CC[NH+](C)CC3)ccc2O1 ZINC001194843336 1071710864 /nfs/dbraw/zinc/71/08/64/1071710864.db2.gz ZZSBEXPCYWMDSJ-INIZCTEOSA-N 1 1 411.480 -0.395 20 0 HBADMO CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCC(=O)N3CC[NH+](C)CC3)ccc2O1 ZINC001194843337 1071711373 /nfs/dbraw/zinc/71/13/73/1071711373.db2.gz ZZSBEXPCYWMDSJ-MRXNPFEDSA-N 1 1 411.480 -0.395 20 0 HBADMO COC(=O)C[C@H]1COCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001194855924 1071709727 /nfs/dbraw/zinc/70/97/27/1071709727.db2.gz UZQIEDHLYIBMSU-HNNXBMFYSA-N 1 1 413.496 -0.353 20 0 HBADMO COC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001194855924 1071709720 /nfs/dbraw/zinc/70/97/20/1071709720.db2.gz UZQIEDHLYIBMSU-HNNXBMFYSA-N 1 1 413.496 -0.353 20 0 HBADMO COC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001194855946 1071709854 /nfs/dbraw/zinc/70/98/54/1071709854.db2.gz UZQIEDHLYIBMSU-OAHLLOKOSA-N 1 1 413.496 -0.353 20 0 HBADMO COC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC001194855946 1071709851 /nfs/dbraw/zinc/70/98/51/1071709851.db2.gz UZQIEDHLYIBMSU-OAHLLOKOSA-N 1 1 413.496 -0.353 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)cc2Br)[C@@H]2NCN[C@H]21 ZINC001194974324 1071711786 /nfs/dbraw/zinc/71/17/86/1071711786.db2.gz BADBTNHWFGLWEW-AEJSXWLSSA-N 1 1 406.082 -0.261 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)cc2Br)[C@@H]2NCN[C@@H]21 ZINC001194974328 1071711873 /nfs/dbraw/zinc/71/18/73/1071711873.db2.gz BADBTNHWFGLWEW-BBBLOLIVSA-N 1 1 406.082 -0.261 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)cc2Br)[C@H]2NCN[C@H]21 ZINC001194974329 1071712370 /nfs/dbraw/zinc/71/23/70/1071712370.db2.gz BADBTNHWFGLWEW-IVZWLZJFSA-N 1 1 406.082 -0.261 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cnc(Br)cc2Br)[C@H]2NCN[C@@H]21 ZINC001194974330 1071712340 /nfs/dbraw/zinc/71/23/40/1071712340.db2.gz BADBTNHWFGLWEW-OPRDCNLKSA-N 1 1 406.082 -0.261 20 0 HBADMO O=C(C[N@H+]1C[C@@H](O)[C@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011988 1071712822 /nfs/dbraw/zinc/71/28/22/1071712822.db2.gz FRTFIXKCDJNJMH-DLBZAZTESA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@@H+]1C[C@@H](O)[C@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011988 1071712818 /nfs/dbraw/zinc/71/28/18/1071712818.db2.gz FRTFIXKCDJNJMH-DLBZAZTESA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@@H+]1C[C@H](CO)[C@H](O)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011989 1071712731 /nfs/dbraw/zinc/71/27/31/1071712731.db2.gz FRTFIXKCDJNJMH-IAGOWNOFSA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@H+]1C[C@H](CO)[C@H](O)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011989 1071712727 /nfs/dbraw/zinc/71/27/27/1071712727.db2.gz FRTFIXKCDJNJMH-IAGOWNOFSA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)[C@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011990 1071712768 /nfs/dbraw/zinc/71/27/68/1071712768.db2.gz FRTFIXKCDJNJMH-IRXDYDNUSA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)[C@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011990 1071712764 /nfs/dbraw/zinc/71/27/64/1071712764.db2.gz FRTFIXKCDJNJMH-IRXDYDNUSA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@H+]1C[C@H](O)[C@@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011992 1071712855 /nfs/dbraw/zinc/71/28/55/1071712855.db2.gz FRTFIXKCDJNJMH-SJORKVTESA-N 1 1 411.524 -0.238 20 0 HBADMO O=C(C[N@@H+]1C[C@H](O)[C@@H](CO)C1)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC001195011992 1071712849 /nfs/dbraw/zinc/71/28/49/1071712849.db2.gz FRTFIXKCDJNJMH-SJORKVTESA-N 1 1 411.524 -0.238 20 0 HBADMO COc1ccc(C[N@H+]2CCCN(C(=O)CN3CCN(CC(N)=O)C(=O)C3)CC2)cc1 ZINC001195028183 1071712798 /nfs/dbraw/zinc/71/27/98/1071712798.db2.gz FIDXYWXPLRMLLR-UHFFFAOYSA-N 1 1 417.510 -0.641 20 0 HBADMO CN1CCN(C(=O)CC[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001195054127 1071713239 /nfs/dbraw/zinc/71/32/39/1071713239.db2.gz AUPVSMMFNVZOAC-UHFFFAOYSA-N 1 1 402.492 -0.052 20 0 HBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](CCO)C[C@H]2C)C1=O ZINC001195092518 1071714303 /nfs/dbraw/zinc/71/43/03/1071714303.db2.gz DTDIVCVZWOHEPZ-FOIQADDNSA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](CCO)C[C@H]2C)C1=O ZINC001195092518 1071714299 /nfs/dbraw/zinc/71/42/99/1071714299.db2.gz DTDIVCVZWOHEPZ-FOIQADDNSA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](CCO)C[C@@H]2C)C1=O ZINC001195092519 1071714227 /nfs/dbraw/zinc/71/42/27/1071714227.db2.gz DTDIVCVZWOHEPZ-MGPUTAFESA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](CCO)C[C@@H]2C)C1=O ZINC001195092519 1071714225 /nfs/dbraw/zinc/71/42/25/1071714225.db2.gz DTDIVCVZWOHEPZ-MGPUTAFESA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](CCO)C[C@H]2C)C1=O ZINC001195092520 1071714264 /nfs/dbraw/zinc/71/42/64/1071714264.db2.gz DTDIVCVZWOHEPZ-QRWLVFNGSA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](CCO)C[C@H]2C)C1=O ZINC001195092520 1071714260 /nfs/dbraw/zinc/71/42/60/1071714260.db2.gz DTDIVCVZWOHEPZ-QRWLVFNGSA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@@H+](CCO)C[C@@H]2C)C1=O ZINC001195092521 1071714218 /nfs/dbraw/zinc/71/42/18/1071714218.db2.gz DTDIVCVZWOHEPZ-YWZLYKJASA-N 1 1 403.483 -0.127 20 0 HBADMO CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CC[N@H+](CCO)C[C@@H]2C)C1=O ZINC001195092521 1071714215 /nfs/dbraw/zinc/71/42/15/1071714215.db2.gz DTDIVCVZWOHEPZ-YWZLYKJASA-N 1 1 403.483 -0.127 20 0 HBADMO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001195112257 1071714168 /nfs/dbraw/zinc/71/41/68/1071714168.db2.gz HSENYISIQJZGJA-INIZCTEOSA-N 1 1 408.524 -0.070 20 0 HBADMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001195112259 1071714156 /nfs/dbraw/zinc/71/41/56/1071714156.db2.gz HSENYISIQJZGJA-MRXNPFEDSA-N 1 1 408.524 -0.070 20 0 HBADMO COCC(COC)[NH+]1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)CC1 ZINC001195112697 1071714200 /nfs/dbraw/zinc/71/42/00/1071714200.db2.gz LWPQJODVUAAKQU-UHFFFAOYSA-N 1 1 414.528 -0.140 20 0 HBADMO COc1cc(Br)c(OC)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1OC ZINC001195172978 1071715227 /nfs/dbraw/zinc/71/52/27/1071715227.db2.gz RRKOTLKSHKUYKR-BPNCWPANSA-N 1 1 416.276 -0.392 20 0 HBADMO COc1cc(Br)c(OC)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1OC ZINC001195172983 1071715297 /nfs/dbraw/zinc/71/52/97/1071715297.db2.gz RRKOTLKSHKUYKR-DDTOSNHZSA-N 1 1 416.276 -0.392 20 0 HBADMO COc1cc(Br)c(OC)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1OC ZINC001195172985 1071715255 /nfs/dbraw/zinc/71/52/55/1071715255.db2.gz RRKOTLKSHKUYKR-LEWSCRJBSA-N 1 1 416.276 -0.392 20 0 HBADMO COc1cc(Br)c(OC)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1OC ZINC001195172987 1071715287 /nfs/dbraw/zinc/71/52/87/1071715287.db2.gz RRKOTLKSHKUYKR-SWHYSGLUSA-N 1 1 416.276 -0.392 20 0 HBADMO COC(=O)[C@@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+](C)C1 ZINC001195224586 1071715612 /nfs/dbraw/zinc/71/56/12/1071715612.db2.gz MKPGKPSHJYKVTK-AWEZNQCLSA-N 1 1 410.496 -0.740 20 0 HBADMO COC(=O)[C@H]1CN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC[N@@H+](C)C1 ZINC001195224589 1071715759 /nfs/dbraw/zinc/71/57/59/1071715759.db2.gz MKPGKPSHJYKVTK-CQSZACIVSA-N 1 1 410.496 -0.740 20 0 HBADMO COC(=O)[C@@H]1CN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC[N@@H+](C)C1 ZINC001195225249 1071715694 /nfs/dbraw/zinc/71/56/94/1071715694.db2.gz QXKUHIBGGHWRLH-BIWSTMPVSA-N 1 1 409.487 -0.445 20 0 HBADMO COC(=O)[C@H]1CN(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)CC[N@@H+](C)C1 ZINC001195225257 1071715675 /nfs/dbraw/zinc/71/56/75/1071715675.db2.gz QXKUHIBGGHWRLH-SHYRYGCCSA-N 1 1 409.487 -0.445 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(Br)c2Br)[C@@H]2NCN[C@H]21 ZINC001195296807 1071716604 /nfs/dbraw/zinc/71/66/04/1071716604.db2.gz DJOBMKXTCWERGB-AEJSXWLSSA-N 1 1 406.082 -0.261 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(Br)c2Br)[C@@H]2NCN[C@@H]21 ZINC001195296808 1071716640 /nfs/dbraw/zinc/71/66/40/1071716640.db2.gz DJOBMKXTCWERGB-BBBLOLIVSA-N 1 1 406.082 -0.261 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(Br)c2Br)[C@H]2NCN[C@H]21 ZINC001195296809 1071716534 /nfs/dbraw/zinc/71/65/34/1071716534.db2.gz DJOBMKXTCWERGB-IVZWLZJFSA-N 1 1 406.082 -0.261 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncc(Br)c2Br)[C@H]2NCN[C@@H]21 ZINC001195296810 1071716541 /nfs/dbraw/zinc/71/65/41/1071716541.db2.gz DJOBMKXTCWERGB-OPRDCNLKSA-N 1 1 406.082 -0.261 20 0 HBADMO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@H](C(=O)NC)C2)c(N)n(Cc2ccccc2)c1=O ZINC001195306359 1071717058 /nfs/dbraw/zinc/71/70/58/1071717058.db2.gz JWBCVVNHFRJMKM-HNNXBMFYSA-N 1 1 413.478 -0.089 20 0 HBADMO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@H](C(=O)NC)C2)c(N)n(Cc2ccccc2)c1=O ZINC001195306359 1071717054 /nfs/dbraw/zinc/71/70/54/1071717054.db2.gz JWBCVVNHFRJMKM-HNNXBMFYSA-N 1 1 413.478 -0.089 20 0 HBADMO CCn1c(=O)c(C(=O)C[N@H+]2CC[C@@H](C(=O)NC)C2)c(N)n(Cc2ccccc2)c1=O ZINC001195306365 1071717108 /nfs/dbraw/zinc/71/71/08/1071717108.db2.gz JWBCVVNHFRJMKM-OAHLLOKOSA-N 1 1 413.478 -0.089 20 0 HBADMO CCn1c(=O)c(C(=O)C[N@@H+]2CC[C@@H](C(=O)NC)C2)c(N)n(Cc2ccccc2)c1=O ZINC001195306365 1071717101 /nfs/dbraw/zinc/71/71/01/1071717101.db2.gz JWBCVVNHFRJMKM-OAHLLOKOSA-N 1 1 413.478 -0.089 20 0 HBADMO CC(=O)N[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001195307682 1071717031 /nfs/dbraw/zinc/71/70/31/1071717031.db2.gz VBOWPEAXSLOHEC-HNNXBMFYSA-N 1 1 412.487 -0.131 20 0 HBADMO CC(=O)N[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001195307682 1071717029 /nfs/dbraw/zinc/71/70/29/1071717029.db2.gz VBOWPEAXSLOHEC-HNNXBMFYSA-N 1 1 412.487 -0.131 20 0 HBADMO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001195307683 1071717085 /nfs/dbraw/zinc/71/70/85/1071717085.db2.gz VBOWPEAXSLOHEC-OAHLLOKOSA-N 1 1 412.487 -0.131 20 0 HBADMO CC(=O)N[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC001195307683 1071717081 /nfs/dbraw/zinc/71/70/81/1071717081.db2.gz VBOWPEAXSLOHEC-OAHLLOKOSA-N 1 1 412.487 -0.131 20 0 HBADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)c1cn(C)c(=O)n(C)c1=O)CCC2 ZINC001195533873 1071721059 /nfs/dbraw/zinc/72/10/59/1071721059.db2.gz DXXBFSMOLWVEHK-UHFFFAOYSA-N 1 1 416.482 -0.473 20 0 HBADMO CO[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001195533889 1071721075 /nfs/dbraw/zinc/72/10/75/1071721075.db2.gz FFJKEVGJINJYHF-CGTJXYLNSA-N 1 1 413.478 -0.160 20 0 HBADMO Cn1cc(C(=O)N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(=O)n(C)c1=O ZINC001195535587 1071721874 /nfs/dbraw/zinc/72/18/74/1071721874.db2.gz RFIQKFTXVDCXIX-IIBYNOLFSA-N 1 1 419.526 -0.515 20 0 HBADMO Cn1cc(C(=O)N2C[C@@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(=O)n(C)c1=O ZINC001195536994 1071722375 /nfs/dbraw/zinc/72/23/75/1071722375.db2.gz ZUNMSZSIMPLMRR-KURKYZTESA-N 1 1 413.478 -0.017 20 0 HBADMO Cn1cc(C(=O)N2C[C@@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c(=O)n(C)c1=O ZINC001195536994 1071722369 /nfs/dbraw/zinc/72/23/69/1071722369.db2.gz ZUNMSZSIMPLMRR-KURKYZTESA-N 1 1 413.478 -0.017 20 0 HBADMO CCOC(=O)CNC(=S)N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001195537127 1071722318 /nfs/dbraw/zinc/72/23/18/1071722318.db2.gz AWGXYHWWOINSFG-UHFFFAOYSA-N 1 1 400.545 -0.073 20 0 HBADMO CCOC(=O)CNC(=S)N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001195537127 1071722312 /nfs/dbraw/zinc/72/23/12/1071722312.db2.gz AWGXYHWWOINSFG-UHFFFAOYSA-N 1 1 400.545 -0.073 20 0 HBADMO Cn1cc(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)c(=O)n(C)c1=O ZINC001195541119 1071722759 /nfs/dbraw/zinc/72/27/59/1071722759.db2.gz KXEFTZUIHGCAOV-KGLIPLIRSA-N 1 1 421.498 -0.245 20 0 HBADMO COC(=O)[C@]1(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001195544811 1071722838 /nfs/dbraw/zinc/72/28/38/1071722838.db2.gz HGPVGYPKGXXWMR-FQEVSTJZSA-N 1 1 400.435 -0.369 20 0 HBADMO COC(=O)[C@@]1(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC001195544812 1071722869 /nfs/dbraw/zinc/72/28/69/1071722869.db2.gz HGPVGYPKGXXWMR-HXUWFJFHSA-N 1 1 400.435 -0.369 20 0 HBADMO O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001195589476 1071723684 /nfs/dbraw/zinc/72/36/84/1071723684.db2.gz UIYXKYBXDPIIIT-HOTGVXAUSA-N 1 1 413.496 -0.536 20 0 HBADMO CCOC(=O)c1ccncc1S(=O)(=O)N1CCN(CC[NH+]2CCOCC2)CC1 ZINC001195618006 1071724222 /nfs/dbraw/zinc/72/42/22/1071724222.db2.gz LNJVLZUQQDFGNL-UHFFFAOYSA-N 1 1 412.512 -0.103 20 0 HBADMO O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001195638008 1071724701 /nfs/dbraw/zinc/72/47/01/1071724701.db2.gz FJUAPICMZJLYTR-RBUKOAKNSA-N 1 1 422.551 -0.589 20 0 HBADMO Cn1cnnc1N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC001195638701 1071724541 /nfs/dbraw/zinc/72/45/41/1071724541.db2.gz LEFCLNJKOVZGPB-UHFFFAOYSA-N 1 1 404.475 -0.387 20 0 HBADMO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001195699937 1071725625 /nfs/dbraw/zinc/72/56/25/1071725625.db2.gz ILCQCNQPWRWLCU-GDBMZVCRSA-N 1 1 412.512 -0.110 20 0 HBADMO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cn1 ZINC001195699937 1071725619 /nfs/dbraw/zinc/72/56/19/1071725619.db2.gz ILCQCNQPWRWLCU-GDBMZVCRSA-N 1 1 412.512 -0.110 20 0 HBADMO C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)[C@H](c2ccccc2)C1 ZINC001195709361 1071726039 /nfs/dbraw/zinc/72/60/39/1071726039.db2.gz LTXLPYGKAMQLJB-IWFBPKFRSA-N 1 1 422.537 -0.293 20 0 HBADMO C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)[C@@H](c2ccccc2)C1 ZINC001195709362 1071725984 /nfs/dbraw/zinc/72/59/84/1071725984.db2.gz LTXLPYGKAMQLJB-JKBKZWBZSA-N 1 1 422.537 -0.293 20 0 HBADMO C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)[C@H](c2ccccc2)C1 ZINC001195709364 1071726117 /nfs/dbraw/zinc/72/61/17/1071726117.db2.gz LTXLPYGKAMQLJB-VNYTWHDVSA-N 1 1 422.537 -0.293 20 0 HBADMO C[N@H+]1CCN(c2ncccc2C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)[C@@H](c2ccccc2)C1 ZINC001195709366 1071726064 /nfs/dbraw/zinc/72/60/64/1071726064.db2.gz LTXLPYGKAMQLJB-XODKDNOYSA-N 1 1 422.537 -0.293 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC001195735150 1071726624 /nfs/dbraw/zinc/72/66/24/1071726624.db2.gz VPEVFXHGHSNBAY-CVEARBPZSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC001195735150 1071726619 /nfs/dbraw/zinc/72/66/19/1071726619.db2.gz VPEVFXHGHSNBAY-CVEARBPZSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC001195735152 1071726723 /nfs/dbraw/zinc/72/67/23/1071726723.db2.gz VPEVFXHGHSNBAY-HOTGVXAUSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC001195735152 1071726719 /nfs/dbraw/zinc/72/67/19/1071726719.db2.gz VPEVFXHGHSNBAY-HOTGVXAUSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC001195735154 1071726577 /nfs/dbraw/zinc/72/65/77/1071726577.db2.gz VPEVFXHGHSNBAY-HZPDHXFCSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC001195735154 1071726572 /nfs/dbraw/zinc/72/65/72/1071726572.db2.gz VPEVFXHGHSNBAY-HZPDHXFCSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC001195735155 1071726713 /nfs/dbraw/zinc/72/67/13/1071726713.db2.gz VPEVFXHGHSNBAY-JKSUJKDBSA-N 1 1 403.526 -0.186 20 0 HBADMO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC001195735155 1071726708 /nfs/dbraw/zinc/72/67/08/1071726708.db2.gz VPEVFXHGHSNBAY-JKSUJKDBSA-N 1 1 403.526 -0.186 20 0 HBADMO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195809070 1071727091 /nfs/dbraw/zinc/72/70/91/1071727091.db2.gz HAUSTSYQBXEJIT-HUUCEWRRSA-N 1 1 415.487 -0.260 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809511 1071727164 /nfs/dbraw/zinc/72/71/64/1071727164.db2.gz MSBRXYPUWKXZSN-GBOPCIDUSA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809511 1071727162 /nfs/dbraw/zinc/72/71/62/1071727162.db2.gz MSBRXYPUWKXZSN-GBOPCIDUSA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809515 1071727204 /nfs/dbraw/zinc/72/72/04/1071727204.db2.gz MSBRXYPUWKXZSN-MXYBEHONSA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809515 1071727200 /nfs/dbraw/zinc/72/72/00/1071727200.db2.gz MSBRXYPUWKXZSN-MXYBEHONSA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809517 1071727010 /nfs/dbraw/zinc/72/70/10/1071727010.db2.gz MSBRXYPUWKXZSN-OSRDXIQISA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809517 1071727001 /nfs/dbraw/zinc/72/70/01/1071727001.db2.gz MSBRXYPUWKXZSN-OSRDXIQISA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809521 1071727059 /nfs/dbraw/zinc/72/70/59/1071727059.db2.gz MSBRXYPUWKXZSN-VIRABCJISA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC001195809521 1071727056 /nfs/dbraw/zinc/72/70/56/1071727056.db2.gz MSBRXYPUWKXZSN-VIRABCJISA-N 1 1 413.496 -0.245 20 0 HBADMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810763 1071727666 /nfs/dbraw/zinc/72/76/66/1071727666.db2.gz VJZQHKMZFPUBTO-CABCVRRESA-N 1 1 413.496 -0.761 20 0 HBADMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810771 1071727767 /nfs/dbraw/zinc/72/77/67/1071727767.db2.gz VJZQHKMZFPUBTO-GJZGRUSLSA-N 1 1 413.496 -0.761 20 0 HBADMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810773 1071727618 /nfs/dbraw/zinc/72/76/18/1071727618.db2.gz VJZQHKMZFPUBTO-HUUCEWRRSA-N 1 1 413.496 -0.761 20 0 HBADMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001195810775 1071727726 /nfs/dbraw/zinc/72/77/26/1071727726.db2.gz VJZQHKMZFPUBTO-LSDHHAIUSA-N 1 1 413.496 -0.761 20 0 HBADMO CS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001195940726 1071728537 /nfs/dbraw/zinc/72/85/37/1071728537.db2.gz AUJWCQMVEPOCSC-BZSNNMDCSA-N 1 1 401.492 -0.110 20 0 HBADMO CS(=O)(=O)c1ccc(-c2ccccc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001195940727 1071728718 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NGYTXNNUKPDCQZ-UHFFFAOYSA-N 1 1 405.499 -0.117 20 0 HBADMO CS(=O)(=O)N1CCC(NC(=O)C[NH+]2CCC(O)(Cc3ccccn3)CC2)CC1 ZINC001196005366 1071731491 /nfs/dbraw/zinc/73/14/91/1071731491.db2.gz MVKBJLWOAWOKLP-UHFFFAOYSA-N 1 1 410.540 -0.009 20 0 HBADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001196093040 1071733308 /nfs/dbraw/zinc/73/33/08/1071733308.db2.gz LIOAJLRRYUFCPO-CALCHBBNSA-N 1 1 402.499 -0.714 20 0 HBADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)cc2)CC1 ZINC001196093042 1071733366 /nfs/dbraw/zinc/73/33/66/1071733366.db2.gz LIOAJLRRYUFCPO-IAGOWNOFSA-N 1 1 402.499 -0.714 20 0 HBADMO CC[NH+]1CCN(c2ccc(NC(=O)CN3C[C@H](C(N)=O)[C@@H](C(N)=O)C3)cc2)CC1 ZINC001196093044 1071733328 /nfs/dbraw/zinc/73/33/28/1071733328.db2.gz LIOAJLRRYUFCPO-IRXDYDNUSA-N 1 1 402.499 -0.714 20 0 HBADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)C[C@H](C)O1 ZINC001196093114 1071733381 /nfs/dbraw/zinc/73/33/81/1071733381.db2.gz LZZKMSGWTOIRQB-AZQPONJRSA-N 1 1 403.483 -0.243 20 0 HBADMO C[C@@H]1CN(c2ccc(NC(=O)C[N@H+]3C[C@H](C(N)=O)[C@H](C(N)=O)C3)cc2)C[C@@H](C)O1 ZINC001196093115 1071733318 /nfs/dbraw/zinc/73/33/18/1071733318.db2.gz LZZKMSGWTOIRQB-KFZJALRRSA-N 1 1 403.483 -0.243 20 0 HBADMO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC001196294468 1071737465 /nfs/dbraw/zinc/73/74/65/1071737465.db2.gz YAROFNQNQQOGSR-GOSISDBHSA-N 1 1 424.567 -0.086 20 0 HBADMO NS(=O)(=O)c1ccc(CCNC(=O)CCN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC001196294469 1071737618 /nfs/dbraw/zinc/73/76/18/1071737618.db2.gz YAROFNQNQQOGSR-SFHVURJKSA-N 1 1 424.567 -0.086 20 0 HBADMO CN(CCCNC(=O)C[NH+]1CCC([C@H](O)c2ccnn2C)CC1)S(C)(=O)=O ZINC001196357332 1071738542 /nfs/dbraw/zinc/73/85/42/1071738542.db2.gz KZPGZHJYWQNCSE-KRWDZBQOSA-N 1 1 401.533 -0.437 20 0 HBADMO CN(CCCNC(=O)C[NH+]1CCC([C@@H](O)c2ccnn2C)CC1)S(C)(=O)=O ZINC001196357340 1071738478 /nfs/dbraw/zinc/73/84/78/1071738478.db2.gz KZPGZHJYWQNCSE-QGZVFWFLSA-N 1 1 401.533 -0.437 20 0 HBADMO C[C@@H]1NC(=O)N(CC[NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1=O ZINC001196430033 1071739044 /nfs/dbraw/zinc/73/90/44/1071739044.db2.gz WLPDQFHORPTBLT-HNNXBMFYSA-N 1 1 409.512 -0.477 20 0 HBADMO C[C@H]1NC(=O)N(CC[NH+]2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C1=O ZINC001196430034 1071739503 /nfs/dbraw/zinc/73/95/03/1071739503.db2.gz WLPDQFHORPTBLT-OAHLLOKOSA-N 1 1 409.512 -0.477 20 0 HBADMO CN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)CC(=O)N1CC[NH+](C)CC1 ZINC001196544520 1071740516 /nfs/dbraw/zinc/74/05/16/1071740516.db2.gz FIRIMNOIXDSJDK-UHFFFAOYSA-N 1 1 406.878 -0.040 20 0 HBADMO C[NH+](C)CC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001196546210 1071740537 /nfs/dbraw/zinc/74/05/37/1071740537.db2.gz XAYFOLVXSRGTGH-UHFFFAOYSA-N 1 1 424.567 -0.092 20 0 HBADMO CN(CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001196554713 1071740399 /nfs/dbraw/zinc/74/03/99/1071740399.db2.gz XSDPAHHFPSQSAD-HNNXBMFYSA-N 1 1 404.577 -0.306 20 0 HBADMO CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 ZINC001196554718 1071740479 /nfs/dbraw/zinc/74/04/79/1071740479.db2.gz XSDPAHHFPSQSAD-OAHLLOKOSA-N 1 1 404.577 -0.306 20 0 HBADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622916 1071740981 /nfs/dbraw/zinc/74/09/81/1071740981.db2.gz MRZHEBYFTZMZOE-CABCVRRESA-N 1 1 404.533 -0.063 20 0 HBADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622924 1071741005 /nfs/dbraw/zinc/74/10/05/1071741005.db2.gz MRZHEBYFTZMZOE-GJZGRUSLSA-N 1 1 404.533 -0.063 20 0 HBADMO CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622925 1071740948 /nfs/dbraw/zinc/74/09/48/1071740948.db2.gz MRZHEBYFTZMZOE-HUUCEWRRSA-N 1 1 404.533 -0.063 20 0 HBADMO CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CS(=O)(=O)NC)C2)CC1 ZINC001196622926 1071740921 /nfs/dbraw/zinc/74/09/21/1071740921.db2.gz MRZHEBYFTZMZOE-LSDHHAIUSA-N 1 1 404.533 -0.063 20 0 HBADMO Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[NH+](CCCF)CC2)CC1 ZINC001196631725 1071741054 /nfs/dbraw/zinc/74/10/54/1071741054.db2.gz IFNCUZAFIYQSQJ-UHFFFAOYSA-N 1 1 404.494 -0.011 20 0 HBADMO O=C(C[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001196676384 1071741426 /nfs/dbraw/zinc/74/14/26/1071741426.db2.gz SGPQONOERMZFRU-IRXDYDNUSA-N 1 1 407.492 -0.235 20 0 HBADMO NC(=O)NC(=O)CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC001196716874 1071742136 /nfs/dbraw/zinc/74/21/36/1071742136.db2.gz RVYLDIOKNGACOY-UHFFFAOYSA-N 1 1 404.212 -0.212 20 0 HBADMO COc1ccc(NC(=O)CN2CC[N@@H+](C)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001196758698 1071742626 /nfs/dbraw/zinc/74/26/26/1071742626.db2.gz IGBHFTVEVVCKPW-AWEZNQCLSA-N 1 1 400.501 -0.508 20 0 HBADMO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001196758698 1071742623 /nfs/dbraw/zinc/74/26/23/1071742623.db2.gz IGBHFTVEVVCKPW-AWEZNQCLSA-N 1 1 400.501 -0.508 20 0 HBADMO COc1ccc(NC(=O)CN2CC[N@@H+](C)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001196758699 1071742473 /nfs/dbraw/zinc/74/24/73/1071742473.db2.gz IGBHFTVEVVCKPW-CQSZACIVSA-N 1 1 400.501 -0.508 20 0 HBADMO COc1ccc(NC(=O)CN2CC[N@H+](C)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001196758699 1071742464 /nfs/dbraw/zinc/74/24/64/1071742464.db2.gz IGBHFTVEVVCKPW-CQSZACIVSA-N 1 1 400.501 -0.508 20 0 HBADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)N2CCN(C(=O)C3CC3)CC2)cn1 ZINC001196781899 1071743564 /nfs/dbraw/zinc/74/35/64/1071743564.db2.gz KLXHUDCEALNJQT-KRWDZBQOSA-N 1 1 402.499 -0.305 20 0 HBADMO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)N2CCN(C(=O)C3CC3)CC2)cn1 ZINC001196781899 1071743559 /nfs/dbraw/zinc/74/35/59/1071743559.db2.gz KLXHUDCEALNJQT-KRWDZBQOSA-N 1 1 402.499 -0.305 20 0 HBADMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)N2CCN(C(=O)C3CC3)CC2)cn1 ZINC001196781900 1071743528 /nfs/dbraw/zinc/74/35/28/1071743528.db2.gz KLXHUDCEALNJQT-QGZVFWFLSA-N 1 1 402.499 -0.305 20 0 HBADMO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)N2CCN(C(=O)C3CC3)CC2)cn1 ZINC001196781900 1071743517 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/nfs/dbraw/zinc/74/39/21/1071743921.db2.gz NFXZZMPERLWRFU-HZPDHXFCSA-N 1 1 419.544 -0.230 20 0 HBADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC001196991363 1071744986 /nfs/dbraw/zinc/74/49/86/1071744986.db2.gz FBXDUDPPEAKMDC-MOPGFXCFSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC001196991363 1071744982 /nfs/dbraw/zinc/74/49/82/1071744982.db2.gz FBXDUDPPEAKMDC-MOPGFXCFSA-N 1 1 423.535 -0.564 20 0 HBADMO O=C(C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001196992307 1071745006 /nfs/dbraw/zinc/74/50/06/1071745006.db2.gz OSCPJCPXPPEZSD-CVEARBPZSA-N 1 1 417.915 -0.400 20 0 HBADMO O=C(C[N@H+]1CC[C@@H](O)[C@@H](O)C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001196992307 1071745003 /nfs/dbraw/zinc/74/50/03/1071745003.db2.gz OSCPJCPXPPEZSD-CVEARBPZSA-N 1 1 417.915 -0.400 20 0 HBADMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC001197020276 1071745540 /nfs/dbraw/zinc/74/55/40/1071745540.db2.gz CRYNDIAOHAQIDM-BETUJISGSA-N 1 1 424.479 -0.569 20 0 HBADMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC001197020276 1071745535 /nfs/dbraw/zinc/74/55/35/1071745535.db2.gz CRYNDIAOHAQIDM-BETUJISGSA-N 1 1 424.479 -0.569 20 0 HBADMO COC(=O)c1cc(NC(=O)C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc(C(=O)OC)c1 ZINC001197021049 1071745490 /nfs/dbraw/zinc/74/54/90/1071745490.db2.gz MZGLQWZMJUATIJ-OKILXGFUSA-N 1 1 403.391 -0.255 20 0 HBADMO COC(=O)c1cc(NC(=O)C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc(C(=O)OC)c1 ZINC001197021049 1071745480 /nfs/dbraw/zinc/74/54/80/1071745480.db2.gz MZGLQWZMJUATIJ-OKILXGFUSA-N 1 1 403.391 -0.255 20 0 HBADMO COC1(OC)CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197313442 1071748280 /nfs/dbraw/zinc/74/82/80/1071748280.db2.gz ALDPIIDKWLTHCW-BBRMVZONSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197313442 1071748276 /nfs/dbraw/zinc/74/82/76/1071748276.db2.gz ALDPIIDKWLTHCW-BBRMVZONSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197313445 1071748332 /nfs/dbraw/zinc/74/83/32/1071748332.db2.gz ALDPIIDKWLTHCW-CJNGLKHVSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197313445 1071748328 /nfs/dbraw/zinc/74/83/28/1071748328.db2.gz ALDPIIDKWLTHCW-CJNGLKHVSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197313446 1071748373 /nfs/dbraw/zinc/74/83/73/1071748373.db2.gz ALDPIIDKWLTHCW-CZUORRHYSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197313446 1071748371 /nfs/dbraw/zinc/74/83/71/1071748371.db2.gz ALDPIIDKWLTHCW-CZUORRHYSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197313448 1071748299 /nfs/dbraw/zinc/74/82/99/1071748299.db2.gz ALDPIIDKWLTHCW-XJKSGUPXSA-N 1 1 415.512 -0.563 20 0 HBADMO COC1(OC)CC[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197313448 1071748291 /nfs/dbraw/zinc/74/82/91/1071748291.db2.gz ALDPIIDKWLTHCW-XJKSGUPXSA-N 1 1 415.512 -0.563 20 0 HBADMO Cc1nc(N2CC[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)n[nH]1 ZINC001197317452 1071748348 /nfs/dbraw/zinc/74/83/48/1071748348.db2.gz UMLINQGIESAGCR-UHFFFAOYSA-N 1 1 404.475 -0.089 20 0 HBADMO COC1(OC)CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197317851 1071748460 /nfs/dbraw/zinc/74/84/60/1071748460.db2.gz XGBFJARYXGVRRS-INIZCTEOSA-N 1 1 415.512 -0.562 20 0 HBADMO COC1(OC)CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197317852 1071748386 /nfs/dbraw/zinc/74/83/86/1071748386.db2.gz XGBFJARYXGVRRS-MRXNPFEDSA-N 1 1 415.512 -0.562 20 0 HBADMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197318204 1071748319 /nfs/dbraw/zinc/74/83/19/1071748319.db2.gz ZRUYEXHXDJRGQA-IOASZLSFSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197318204 1071748314 /nfs/dbraw/zinc/74/83/14/1071748314.db2.gz ZRUYEXHXDJRGQA-IOASZLSFSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197318205 1071748419 /nfs/dbraw/zinc/74/84/19/1071748419.db2.gz ZRUYEXHXDJRGQA-WOSRLPQWSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197318205 1071748410 /nfs/dbraw/zinc/74/84/10/1071748410.db2.gz ZRUYEXHXDJRGQA-WOSRLPQWSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197318206 1071748447 /nfs/dbraw/zinc/74/84/47/1071748447.db2.gz ZRUYEXHXDJRGQA-XJKCOSOUSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@H]1O ZINC001197318206 1071748440 /nfs/dbraw/zinc/74/84/40/1071748440.db2.gz ZRUYEXHXDJRGQA-XJKCOSOUSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197318207 1071748364 /nfs/dbraw/zinc/74/83/64/1071748364.db2.gz ZRUYEXHXDJRGQA-ZENOOKHLSA-N 1 1 415.512 -0.045 20 0 HBADMO COC1(OC)CC[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C[C@@H]1O ZINC001197318207 1071748361 /nfs/dbraw/zinc/74/83/61/1071748361.db2.gz ZRUYEXHXDJRGQA-ZENOOKHLSA-N 1 1 415.512 -0.045 20 0 HBADMO C[N@@H+](CCn1cnnc1)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197458166 1071749517 /nfs/dbraw/zinc/74/95/17/1071749517.db2.gz HNHZWRXCYBVDLP-UHFFFAOYSA-N 1 1 422.511 -0.453 20 0 HBADMO C[N@H+](CCn1cnnc1)CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197458166 1071749512 /nfs/dbraw/zinc/74/95/12/1071749512.db2.gz HNHZWRXCYBVDLP-UHFFFAOYSA-N 1 1 422.511 -0.453 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)C2 ZINC001197606643 1071750505 /nfs/dbraw/zinc/75/05/05/1071750505.db2.gz GWJACCSHRPXUSU-NQIIRXRSSA-N 1 1 400.479 -0.184 20 0 HBADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)C2 ZINC001197606644 1071750495 /nfs/dbraw/zinc/75/04/95/1071750495.db2.gz GWJACCSHRPXUSU-WIYYLYMNSA-N 1 1 400.479 -0.184 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(=O)n(CCOC)c3)C2)C1 ZINC001197702780 1071751523 /nfs/dbraw/zinc/75/15/23/1071751523.db2.gz NEQLIMHJAAMVOP-FQEVSTJZSA-N 1 1 421.498 -0.810 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(=O)n(CCOC)c3)C2)C1 ZINC001197702780 1071751517 /nfs/dbraw/zinc/75/15/17/1071751517.db2.gz NEQLIMHJAAMVOP-FQEVSTJZSA-N 1 1 421.498 -0.810 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(=O)n(CCOC)c3)C2)C1 ZINC001197702781 1071751562 /nfs/dbraw/zinc/75/15/62/1071751562.db2.gz NEQLIMHJAAMVOP-HXUWFJFHSA-N 1 1 421.498 -0.810 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(=O)n(CCOC)c3)C2)C1 ZINC001197702781 1071751561 /nfs/dbraw/zinc/75/15/61/1071751561.db2.gz NEQLIMHJAAMVOP-HXUWFJFHSA-N 1 1 421.498 -0.810 20 0 HBADMO CN(CCCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2)S(C)(=O)=O ZINC001197728696 1071752538 /nfs/dbraw/zinc/75/25/38/1071752538.db2.gz OTRMQGXXZHMGRQ-HWWDLCQESA-N 1 1 413.544 -0.368 20 0 HBADMO CN(CCCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2)S(C)(=O)=O ZINC001197728696 1071752531 /nfs/dbraw/zinc/75/25/31/1071752531.db2.gz OTRMQGXXZHMGRQ-HWWDLCQESA-N 1 1 413.544 -0.368 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(=O)n(CC4CC4)c3)C2)C1 ZINC001197763492 1071751895 /nfs/dbraw/zinc/75/18/95/1071751895.db2.gz HBABUDSQIUNQMG-NRFANRHFSA-N 1 1 417.510 -0.046 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc(=O)n(CC4CC4)c3)C2)C1 ZINC001197763492 1071751890 /nfs/dbraw/zinc/75/18/90/1071751890.db2.gz HBABUDSQIUNQMG-NRFANRHFSA-N 1 1 417.510 -0.046 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(=O)n(CC4CC4)c3)C2)C1 ZINC001197763493 1071752043 /nfs/dbraw/zinc/75/20/43/1071752043.db2.gz HBABUDSQIUNQMG-OAQYLSRUSA-N 1 1 417.510 -0.046 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc(=O)n(CC4CC4)c3)C2)C1 ZINC001197763493 1071752026 /nfs/dbraw/zinc/75/20/26/1071752026.db2.gz HBABUDSQIUNQMG-OAQYLSRUSA-N 1 1 417.510 -0.046 20 0 HBADMO CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1 ZINC001197913026 1071755324 /nfs/dbraw/zinc/75/53/24/1071755324.db2.gz CJLUHYDKMVGHFY-BZSNNMDCSA-N 1 1 409.450 -0.331 20 0 HBADMO CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1 ZINC001197913028 1071755346 /nfs/dbraw/zinc/75/53/46/1071755346.db2.gz CJLUHYDKMVGHFY-FGTMMUONSA-N 1 1 409.450 -0.331 20 0 HBADMO CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1 ZINC001197913029 1071755214 /nfs/dbraw/zinc/75/52/14/1071755214.db2.gz CJLUHYDKMVGHFY-OKZBNKHCSA-N 1 1 409.450 -0.331 20 0 HBADMO CC(=O)c1ccc(NC(=O)c2cccnc2C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1 ZINC001197913030 1071755269 /nfs/dbraw/zinc/75/52/69/1071755269.db2.gz CJLUHYDKMVGHFY-SQNIBIBYSA-N 1 1 409.450 -0.331 20 0 HBADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001198058733 1071757130 /nfs/dbraw/zinc/75/71/30/1071757130.db2.gz DEINPZDLLPZPFG-BPQIPLTHSA-N 1 1 407.540 -0.400 20 0 HBADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001198058737 1071757191 /nfs/dbraw/zinc/75/71/91/1071757191.db2.gz DEINPZDLLPZPFG-KBAYOESNSA-N 1 1 407.540 -0.400 20 0 HBADMO C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001198058740 1071757213 /nfs/dbraw/zinc/75/72/13/1071757213.db2.gz DEINPZDLLPZPFG-NJAFHUGGSA-N 1 1 407.540 -0.400 20 0 HBADMO C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001198058744 1071757674 /nfs/dbraw/zinc/75/76/74/1071757674.db2.gz DEINPZDLLPZPFG-NXHRZFHOSA-N 1 1 407.540 -0.400 20 0 HBADMO O=C(CC[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001198062735 1071758314 /nfs/dbraw/zinc/75/83/14/1071758314.db2.gz XBNAHDINTJRHBV-KRWDZBQOSA-N 1 1 409.512 -0.314 20 0 HBADMO O=C(CC[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)Nc1ccc(N2CCOCC2)cc1 ZINC001198062742 1071758301 /nfs/dbraw/zinc/75/83/01/1071758301.db2.gz XBNAHDINTJRHBV-QGZVFWFLSA-N 1 1 409.512 -0.314 20 0 HBADMO CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)c1ccncc1N1CC[NH+](C)CC1)C2 ZINC001198146287 1071758742 /nfs/dbraw/zinc/75/87/42/1071758742.db2.gz YCMZZPGQVOMFAZ-FQEVSTJZSA-N 1 1 400.483 -0.604 20 0 HBADMO CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)c1ccncc1N1CC[NH+](C)CC1)C2 ZINC001198146288 1071758904 /nfs/dbraw/zinc/75/89/04/1071758904.db2.gz YCMZZPGQVOMFAZ-HXUWFJFHSA-N 1 1 400.483 -0.604 20 0 HBADMO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)c1ccncc1N1CC[NH+](C)CC1)C2 ZINC001198146367 1071758794 /nfs/dbraw/zinc/75/87/94/1071758794.db2.gz DXECQZGNKSQXSW-HNNXBMFYSA-N 1 1 422.507 -0.364 20 0 HBADMO COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)c1ccncc1N1CC[NH+](C)CC1)C2 ZINC001198146368 1071758827 /nfs/dbraw/zinc/75/88/27/1071758827.db2.gz DXECQZGNKSQXSW-OAHLLOKOSA-N 1 1 422.507 -0.364 20 0 HBADMO C[NH+]1CCN(c2cnccc2C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001198157564 1071758887 /nfs/dbraw/zinc/75/88/87/1071758887.db2.gz JNLUMNSRALBBOQ-SFHVURJKSA-N 1 1 424.505 -0.224 20 0 HBADMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 ZINC001198195147 1071759505 /nfs/dbraw/zinc/75/95/05/1071759505.db2.gz QRXKIYXZFKVGGR-KXBFYZLASA-N 1 1 408.524 -0.030 20 0 HBADMO CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC4(CC3)C[C@@H](O)CNC4=O)cc2C1=O ZINC001198346099 1071760666 /nfs/dbraw/zinc/76/06/66/1071760666.db2.gz CPNCRPXNCQNNLZ-CYBMUJFWSA-N 1 1 400.435 -0.186 20 0 HBADMO CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC4(CC3)C[C@H](O)CNC4=O)cc2C1=O ZINC001198346102 1071760560 /nfs/dbraw/zinc/76/05/60/1071760560.db2.gz CPNCRPXNCQNNLZ-ZDUSSCGKSA-N 1 1 400.435 -0.186 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2Cc2cccc(Br)c2)[C@@H]2NCN[C@@H]21 ZINC001198355283 1071762457 /nfs/dbraw/zinc/76/24/57/1071762457.db2.gz GXIWGTXOJXTTSQ-KFWWJZLASA-N 1 1 406.288 -0.173 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2Cc2cccc(Br)c2)[C@H]2NCN[C@@H]21 ZINC001198355284 1071762427 /nfs/dbraw/zinc/76/24/27/1071762427.db2.gz GXIWGTXOJXTTSQ-RBSFLKMASA-N 1 1 406.288 -0.173 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2Cc2cccc(Br)c2)[C@H]2NCN[C@H]21 ZINC001198355285 1071762565 /nfs/dbraw/zinc/76/25/65/1071762565.db2.gz GXIWGTXOJXTTSQ-RRFJBIMHSA-N 1 1 406.288 -0.173 20 0 HBADMO [NH3+][C@@H]1NCN(C(=O)c2cncn2Cc2cccc(Br)c2)[C@@H]2NCN[C@H]21 ZINC001198355286 1071762486 /nfs/dbraw/zinc/76/24/86/1071762486.db2.gz GXIWGTXOJXTTSQ-ZNMIVQPWSA-N 1 1 406.288 -0.173 20 0 HBADMO Cc1ncc(S(=O)(=O)N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)n1C ZINC001198374774 1071761080 /nfs/dbraw/zinc/76/10/80/1071761080.db2.gz BWBHZSMPGBEVPZ-UHFFFAOYSA-N 1 1 413.544 -0.080 20 0 HBADMO Cc1ncc(S(=O)(=O)N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)n1C ZINC001198374774 1071761074 /nfs/dbraw/zinc/76/10/74/1071761074.db2.gz BWBHZSMPGBEVPZ-UHFFFAOYSA-N 1 1 413.544 -0.080 20 0 HBADMO Cc1ncc(S(=O)(=O)N2Cc3nccn3C[C@H](C[NH+]3CCN(C)CC3)C2)n1C ZINC001198377177 1071761573 /nfs/dbraw/zinc/76/15/73/1071761573.db2.gz KPDAFWOASXCCEK-INIZCTEOSA-N 1 1 407.544 -0.007 20 0 HBADMO Cc1ncc(S(=O)(=O)N2Cc3nccn3C[C@@H](C[NH+]3CCN(C)CC3)C2)n1C ZINC001198377178 1071761876 /nfs/dbraw/zinc/76/18/76/1071761876.db2.gz KPDAFWOASXCCEK-MRXNPFEDSA-N 1 1 407.544 -0.007 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001198533995 1071764191 /nfs/dbraw/zinc/76/41/91/1071764191.db2.gz MAGXJMNYIFDDTP-NRFANRHFSA-N 1 1 413.478 -0.005 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001198533995 1071764173 /nfs/dbraw/zinc/76/41/73/1071764173.db2.gz MAGXJMNYIFDDTP-NRFANRHFSA-N 1 1 413.478 -0.005 20 0 HBADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc4ccccn4c3=O)C2)C1 ZINC001198533996 1071764356 /nfs/dbraw/zinc/76/43/56/1071764356.db2.gz MAGXJMNYIFDDTP-OAQYLSRUSA-N 1 1 413.478 -0.005 20 0 HBADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnc4ccccn4c3=O)C2)C1 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CC[NH+]1CCN(C(=O)CNC(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001648822551 1068340697 /nfs/dbraw/zinc/34/06/97/1068340697.db2.gz KURSNGXDBUXLOL-UHFFFAOYSA-N 1 1 401.464 -0.835 20 0 HBADMO CC[NH+]1CCN(C(=O)CNC(=O)c2cn(C)nc2I)CC1 ZINC001648822810 1068340642 /nfs/dbraw/zinc/34/06/42/1068340642.db2.gz WDHKCZCMIGNWJH-UHFFFAOYSA-N 1 1 405.240 -0.081 20 0 HBADMO CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@]1(CO)COCC[NH2+]1)C2=O ZINC001648863032 1068345683 /nfs/dbraw/zinc/34/56/83/1068345683.db2.gz AAKNDPYMBGDZJD-JEFDNNSCSA-N 1 1 410.515 -0.020 20 0 HBADMO CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NC[C@@]1(CO)COCC[NH2+]1)C2=O ZINC001648863033 1068346043 /nfs/dbraw/zinc/34/60/43/1068346043.db2.gz AAKNDPYMBGDZJD-JFUAUVDRSA-N 1 1 410.515 -0.020 20 0 HBADMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@]1(CO)COCC[NH2+]1 ZINC001648863120 1068346014 /nfs/dbraw/zinc/34/60/14/1068346014.db2.gz DDDMTRJJNQNYBY-AWEZNQCLSA-N 1 1 422.301 -0.806 20 0 HBADMO O=C(CNS(=O)(=O)c1ccc(Br)cc1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648863121 1068345752 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Cn1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001648864248 1068346530 /nfs/dbraw/zinc/34/65/30/1068346530.db2.gz QQEYJTQHLOQTGR-FQEVSTJZSA-N 1 1 413.434 -0.703 20 0 HBADMO Cn1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(CN2C(=O)c3ccccc3C2=O)n1 ZINC001648864249 1068346785 /nfs/dbraw/zinc/34/67/85/1068346785.db2.gz QQEYJTQHLOQTGR-HXUWFJFHSA-N 1 1 413.434 -0.703 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864478 1068346286 /nfs/dbraw/zinc/34/62/86/1068346286.db2.gz UGUCMBBRAMFGHW-GOSISDBHSA-N 1 1 413.496 -0.903 20 0 HBADMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648864479 1068346735 /nfs/dbraw/zinc/34/67/35/1068346735.db2.gz UGUCMBBRAMFGHW-SFHVURJKSA-N 1 1 413.496 -0.903 20 0 HBADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC[C@]2(CO)COCC[NH2+]2)c(OC)c1 ZINC001648864484 1068346646 /nfs/dbraw/zinc/34/66/46/1068346646.db2.gz UIDBTNMZUSCADL-JXFKEZNVSA-N 1 1 407.467 -0.225 20 0 HBADMO COc1ccc(C(=O)N2CCC[C@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(OC)c1 ZINC001648864485 1068346339 /nfs/dbraw/zinc/34/63/39/1068346339.db2.gz UIDBTNMZUSCADL-OXJNMPFZSA-N 1 1 407.467 -0.225 20 0 HBADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@]2(CO)COCC[NH2+]2)c(OC)c1 ZINC001648864486 1068346458 /nfs/dbraw/zinc/34/64/58/1068346458.db2.gz UIDBTNMZUSCADL-OXQOHEQNSA-N 1 1 407.467 -0.225 20 0 HBADMO COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC[C@]2(CO)COCC[NH2+]2)c(OC)c1 ZINC001648864487 1068346844 /nfs/dbraw/zinc/34/68/44/1068346844.db2.gz UIDBTNMZUSCADL-UZLBHIALSA-N 1 1 407.467 -0.225 20 0 HBADMO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@@]2(CO)COCC[NH2+]2)c1 ZINC001648864792 1068346422 /nfs/dbraw/zinc/34/64/22/1068346422.db2.gz XLHIDWIWOOHCCJ-GOSISDBHSA-N 1 1 415.512 -0.194 20 0 HBADMO CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NC[C@]2(CO)COCC[NH2+]2)c1 ZINC001648864793 1068346569 /nfs/dbraw/zinc/34/65/69/1068346569.db2.gz XLHIDWIWOOHCCJ-SFHVURJKSA-N 1 1 415.512 -0.194 20 0 HBADMO O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648864794 1068346711 /nfs/dbraw/zinc/34/67/11/1068346711.db2.gz XLOALZOAVSRQDI-IBGZPJMESA-N 1 1 403.414 -0.374 20 0 HBADMO O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864795 1068346261 /nfs/dbraw/zinc/34/62/61/1068346261.db2.gz XLOALZOAVSRQDI-LJQANCHMSA-N 1 1 403.414 -0.374 20 0 HBADMO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@]1(CO)COCC[NH2+]1 ZINC001648864840 1068346605 /nfs/dbraw/zinc/34/66/05/1068346605.db2.gz YAOVHSKOXVHNQY-BEFAXECRSA-N 1 1 416.519 -0.491 20 0 HBADMO CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864841 1068346399 /nfs/dbraw/zinc/34/63/99/1068346399.db2.gz YAOVHSKOXVHNQY-DNVCBOLYSA-N 1 1 416.519 -0.491 20 0 HBADMO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@@]1(CO)COCC[NH2+]1 ZINC001648864842 1068346494 /nfs/dbraw/zinc/34/64/94/1068346494.db2.gz YAOVHSKOXVHNQY-HNAYVOBHSA-N 1 1 416.519 -0.491 20 0 HBADMO 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/nfs/dbraw/zinc/49/00/41/1068490041.db2.gz VWVMNTJJILMCKZ-OXJNMPFZSA-N 1 1 408.499 -0.275 20 0 HBADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC001648917569 1068729968 /nfs/dbraw/zinc/72/99/68/1068729968.db2.gz HRCNBDGRKMJHQV-BHYGNILZSA-N 1 1 406.508 -0.123 20 0 HBADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC001648917570 1068730719 /nfs/dbraw/zinc/73/07/19/1068730719.db2.gz HRCNBDGRKMJHQV-UAGQMJEPSA-N 1 1 406.508 -0.123 20 0 HBADMO C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@@H]2C1 ZINC001648917571 1068730618 /nfs/dbraw/zinc/73/06/18/1068730618.db2.gz HRCNBDGRKMJHQV-USXIJHARSA-N 1 1 406.508 -0.123 20 0 HBADMO C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC001648917572 1068731344 /nfs/dbraw/zinc/73/13/44/1068731344.db2.gz HRCNBDGRKMJHQV-XIRDDKMYSA-N 1 1 406.508 -0.123 20 0 HBADMO CN1CC[NH+](Cc2ccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001648919162 1068753602 /nfs/dbraw/zinc/75/36/02/1068753602.db2.gz CBSSVDPKKHFNOX-NRFANRHFSA-N 1 1 402.495 -0.208 20 0 HBADMO CN1CC[NH+](Cc2ccc(C(=O)NC[C@]34COCCN3C(=O)COC4)cc2)CC1 ZINC001648919163 1068753699 /nfs/dbraw/zinc/75/36/99/1068753699.db2.gz CBSSVDPKKHFNOX-OAQYLSRUSA-N 1 1 402.495 -0.208 20 0 HBADMO C[NH+]1CCN(CC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CC1 ZINC001648929129 1069219535 /nfs/dbraw/zinc/21/95/35/1069219535.db2.gz AGFUTORQRBXXFE-UHFFFAOYSA-N 1 1 409.556 -0.644 20 0 HBADMO C[NH+]1CCN(C(=O)CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 ZINC001648931503 1069259149 /nfs/dbraw/zinc/25/91/49/1069259149.db2.gz POTBHZCFGNEBMS-UHFFFAOYSA-N 1 1 408.260 -0.071 20 0 HBADMO C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001648931624 1069259232 /nfs/dbraw/zinc/25/92/32/1069259232.db2.gz VCUSIUPKHFEFON-LBPRGKRZSA-N 1 1 402.904 -0.103 20 0 HBADMO C[NH+]1CCN(C(=O)CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)CC1 ZINC001648931629 1069259352 /nfs/dbraw/zinc/25/93/52/1069259352.db2.gz VHDJYVSJBKCWRE-UHFFFAOYSA-N 1 1 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