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C[C@@H]1CCCN(C(=O)C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C1 ZINC000045804109 1069075105 /nfs/dbraw/zinc/07/51/05/1069075105.db2.gz FLSHUZQWRRLXSD-CYBMUJFWSA-N 1 2 405.499 -0.181 20 0 HBADLO C[C@H]1CCCN(C(=O)C2CC[NH+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)C1 ZINC000045804111 1069075085 /nfs/dbraw/zinc/07/50/85/1069075085.db2.gz FLSHUZQWRRLXSD-ZDUSSCGKSA-N 1 2 405.499 -0.181 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844131 1069075024 /nfs/dbraw/zinc/07/50/24/1069075024.db2.gz LICSTXJXCJFZLF-HNNXBMFYSA-N 1 2 403.483 -0.222 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000045844132 1069075074 /nfs/dbraw/zinc/07/50/74/1069075074.db2.gz LICSTXJXCJFZLF-OAHLLOKOSA-N 1 2 403.483 -0.222 20 0 HBADLO CC(=O)Nc1nc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000045944679 1069216775 /nfs/dbraw/zinc/21/67/75/1069216775.db2.gz AWLONFSUCHOIBX-UHFFFAOYSA-N 1 2 402.546 -0.289 20 0 HBADLO COc1ncccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000045965894 1069075890 /nfs/dbraw/zinc/07/58/90/1069075890.db2.gz UETMJHGUKZJHOS-UHFFFAOYSA-N 1 2 412.516 -0.590 20 0 HBADLO C[C@H](C(=O)N1CCC(C)CC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000046064972 1069218667 /nfs/dbraw/zinc/21/86/67/1069218667.db2.gz VILMUUCCELVMJJ-QGZVFWFLSA-N 1 2 401.577 -0.257 20 0 HBADLO C[C@@H](C(=O)N1CCC(C)CC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000046064974 1069218886 /nfs/dbraw/zinc/21/88/86/1069218886.db2.gz VILMUUCCELVMJJ-KRWDZBQOSA-N 1 2 401.577 -0.257 20 0 HBADLO Cn1c(=O)ccn(CC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c1=O ZINC000046273635 1070907071 /nfs/dbraw/zinc/90/70/71/1070907071.db2.gz UXHNGGARMGSHNG-UHFFFAOYSA-N 1 2 406.464 -0.504 20 0 HBADLO Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000046481946 1070926556 /nfs/dbraw/zinc/92/65/56/1070926556.db2.gz DJSXFFSHWZXINQ-LBPRGKRZSA-N 1 2 412.516 -0.047 20 0 HBADLO Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000046481948 1070926274 /nfs/dbraw/zinc/92/62/74/1070926274.db2.gz DJSXFFSHWZXINQ-GFCCVEGCSA-N 1 2 412.516 -0.047 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000046482409 1070926722 /nfs/dbraw/zinc/92/67/22/1070926722.db2.gz KANKDVXHZFPWCB-ZDUSSCGKSA-N 1 2 413.500 -0.398 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000046482411 1070926496 /nfs/dbraw/zinc/92/64/96/1070926496.db2.gz KANKDVXHZFPWCB-CYBMUJFWSA-N 1 2 413.500 -0.398 20 0 HBADLO Cn1ncc2c1ncn(CC(=O)N1CC[NH+](Cc3ccc(C(N)=O)cc3)CC1)c2=O ZINC000046725212 1069080781 /nfs/dbraw/zinc/08/07/81/1069080781.db2.gz BYEWKGMWBXYPSK-UHFFFAOYSA-N 1 2 409.450 -0.427 20 0 HBADLO Cn1cc(/C=C/C(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)c(=O)n(C)c1=O ZINC000046725489 1070945117 /nfs/dbraw/zinc/94/51/17/1070945117.db2.gz GRNMYDWQDYDKLY-BQYQJAHWSA-N 1 2 411.462 -0.460 20 0 HBADLO Cc1noc(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000046788133 1069143236 /nfs/dbraw/zinc/14/32/36/1069143236.db2.gz OCKILGFAMLINKB-UHFFFAOYSA-N 1 2 400.505 -0.663 20 0 HBADLO COCCOCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046867681 1069080612 /nfs/dbraw/zinc/08/06/12/1069080612.db2.gz GWDZHIQQIBTJIX-UHFFFAOYSA-N 1 2 415.516 -0.504 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC(CO)CC1 ZINC000046868056 1069080768 /nfs/dbraw/zinc/08/07/68/1069080768.db2.gz MHXRUIAOQUVZJH-UHFFFAOYSA-N 1 2 411.528 -0.053 20 0 HBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000046868058 1069080729 /nfs/dbraw/zinc/08/07/29/1069080729.db2.gz WAINRMOVCYZSHX-AWEZNQCLSA-N 1 2 412.516 -0.691 20 0 HBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N(C)C ZINC000046868060 1069080746 /nfs/dbraw/zinc/08/07/46/1069080746.db2.gz WAINRMOVCYZSHX-CQSZACIVSA-N 1 2 412.516 -0.691 20 0 HBADLO CN(C)C(=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046868072 1069081398 /nfs/dbraw/zinc/08/13/98/1069081398.db2.gz NDYWAKGSBWIIFN-UHFFFAOYSA-N 1 2 412.516 -0.689 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NNc1ncccn1 ZINC000046868084 1068382335 /nfs/dbraw/zinc/38/23/35/1068382335.db2.gz SRXQVTCZMVYUOD-UHFFFAOYSA-N 1 2 406.472 -0.350 20 0 HBADLO Cc1csc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000046942641 1069118876 /nfs/dbraw/zinc/11/88/76/1069118876.db2.gz SPARDPOGCSWVMT-UHFFFAOYSA-N 1 2 416.573 -0.187 20 0 HBADLO O=C(NCCCNc1cccc[nH+]1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000046944081 1069082482 /nfs/dbraw/zinc/08/24/82/1069082482.db2.gz HXZRNTAVEXYDDT-UHFFFAOYSA-N 1 2 412.516 -0.212 20 0 HBADLO O=C(NCCCNc1cccc[nH+]1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000046944730 1069082355 /nfs/dbraw/zinc/08/23/55/1069082355.db2.gz XLSDINGNABRLAK-UHFFFAOYSA-N 1 2 404.471 -0.404 20 0 HBADLO CN(CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)S(C)(=O)=O ZINC000046981344 1069149356 /nfs/dbraw/zinc/14/93/56/1069149356.db2.gz RVRXZNVENJUVIL-UHFFFAOYSA-N 1 2 410.504 -0.524 20 0 HBADLO CCN1CCN(CC(=O)N2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)C(=O)C1=O ZINC000046999212 1069083239 /nfs/dbraw/zinc/08/32/39/1069083239.db2.gz GEKABBDYKNNZSQ-UHFFFAOYSA-N 1 2 401.467 -0.880 20 0 HBADLO Cc1c([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000047006285 1068228878 /nfs/dbraw/zinc/22/88/78/1068228878.db2.gz GBTWYGXQCDAGPA-CQSZACIVSA-N 1 2 413.548 -0.391 20 0 HBADLO Cc1c([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cnn1C ZINC000047006286 1068228849 /nfs/dbraw/zinc/22/88/49/1068228849.db2.gz GBTWYGXQCDAGPA-AWEZNQCLSA-N 1 2 413.548 -0.391 20 0 HBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000047028093 1069083261 /nfs/dbraw/zinc/08/32/61/1069083261.db2.gz RFAQLYKHDSBMCT-HRCADAONSA-N 1 2 414.532 -0.047 20 0 HBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000047028339 1068230668 /nfs/dbraw/zinc/23/06/68/1068230668.db2.gz UCSBNXFZILDMDU-LBPRGKRZSA-N 1 2 410.456 -0.320 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000047028340 1068230783 /nfs/dbraw/zinc/23/07/83/1068230783.db2.gz UCSBNXFZILDMDU-GFCCVEGCSA-N 1 2 410.456 -0.320 20 0 HBADLO CNC(=O)NC(=O)C[NH+](CC(=O)NC(=O)NC)C1CCN(c2ccccn2)CC1 ZINC000047045495 1071000869 /nfs/dbraw/zinc/00/08/69/1071000869.db2.gz NGCKCTCETWDTAH-UHFFFAOYSA-N 1 2 405.459 -0.736 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000047056072 1069153363 /nfs/dbraw/zinc/15/33/63/1069153363.db2.gz NHNIJCSHQVZLLT-MRXNPFEDSA-N 1 2 407.496 -0.284 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000047056072 1069153358 /nfs/dbraw/zinc/15/33/58/1069153358.db2.gz NHNIJCSHQVZLLT-MRXNPFEDSA-N 1 2 407.496 -0.284 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000047056074 1069153465 /nfs/dbraw/zinc/15/34/65/1069153465.db2.gz NHNIJCSHQVZLLT-INIZCTEOSA-N 1 2 407.496 -0.284 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000047056074 1069153461 /nfs/dbraw/zinc/15/34/61/1069153461.db2.gz NHNIJCSHQVZLLT-INIZCTEOSA-N 1 2 407.496 -0.284 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000047058316 1069153387 /nfs/dbraw/zinc/15/33/87/1069153387.db2.gz VISIHCNDGMIYER-UHFFFAOYSA-N 1 2 407.496 -0.078 20 0 HBADLO O=C(CN1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1)NC1CC1 ZINC000047071135 1068239098 /nfs/dbraw/zinc/23/90/98/1068239098.db2.gz FLKBFNWXWORPHA-LJQANCHMSA-N 1 2 411.572 -0.200 20 0 HBADLO O=C(CN1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1)NC1CC1 ZINC000047071136 1068239213 /nfs/dbraw/zinc/23/92/13/1068239213.db2.gz FLKBFNWXWORPHA-IBGZPJMESA-N 1 2 411.572 -0.200 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000047108182 1069083281 /nfs/dbraw/zinc/08/32/81/1069083281.db2.gz OTRGWLUPHXJJNW-OAHLLOKOSA-N 1 2 403.530 -0.978 20 0 HBADLO Cn1cc(S(=O)(=O)NCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1 ZINC000047108183 1068246031 /nfs/dbraw/zinc/24/60/31/1068246031.db2.gz OTRGWLUPHXJJNW-HNNXBMFYSA-N 1 2 403.530 -0.978 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000047161732 1068250326 /nfs/dbraw/zinc/25/03/26/1068250326.db2.gz QNUDLLPDOUIEFM-AWEZNQCLSA-N 1 2 412.512 -0.496 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000047161733 1068250235 /nfs/dbraw/zinc/25/02/35/1068250235.db2.gz QNUDLLPDOUIEFM-CQSZACIVSA-N 1 2 412.512 -0.496 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258672 1069185564 /nfs/dbraw/zinc/18/55/64/1069185564.db2.gz RLENTQCZPKFUOX-NSHDSACASA-N 1 2 401.471 -0.345 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000047258673 1069185657 /nfs/dbraw/zinc/18/56/57/1069185657.db2.gz RLENTQCZPKFUOX-LLVKDONJSA-N 1 2 401.471 -0.345 20 0 HBADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(=O)n(C)c1=O ZINC000047260370 1069429980 /nfs/dbraw/zinc/42/99/80/1069429980.db2.gz BZJDDPJHBILQOK-LBPRGKRZSA-N 1 2 400.439 -0.405 20 0 HBADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccn3)C2)c(=O)n(C)c1=O ZINC000047260370 1069429972 /nfs/dbraw/zinc/42/99/72/1069429972.db2.gz BZJDDPJHBILQOK-LBPRGKRZSA-N 1 2 400.439 -0.405 20 0 HBADLO Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(=O)n(C)c1=O ZINC000047260371 1069429798 /nfs/dbraw/zinc/42/97/98/1069429798.db2.gz BZJDDPJHBILQOK-GFCCVEGCSA-N 1 2 400.439 -0.405 20 0 HBADLO Cn1c(N)c(C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccn3)C2)c(=O)n(C)c1=O ZINC000047260371 1069429788 /nfs/dbraw/zinc/42/97/88/1069429788.db2.gz BZJDDPJHBILQOK-GFCCVEGCSA-N 1 2 400.439 -0.405 20 0 HBADLO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)n1 ZINC000047260963 1069083959 /nfs/dbraw/zinc/08/39/59/1069083959.db2.gz XKTDHUZEVQUGLU-CYBMUJFWSA-N 1 2 414.466 -0.097 20 0 HBADLO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)n1 ZINC000047260963 1069083956 /nfs/dbraw/zinc/08/39/56/1069083956.db2.gz XKTDHUZEVQUGLU-CYBMUJFWSA-N 1 2 414.466 -0.097 20 0 HBADLO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)n1 ZINC000047260964 1069083968 /nfs/dbraw/zinc/08/39/68/1069083968.db2.gz XKTDHUZEVQUGLU-ZDUSSCGKSA-N 1 2 414.466 -0.097 20 0 HBADLO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)c3c(N)n(C)c(=O)n(C)c3=O)C2)n1 ZINC000047260964 1069083967 /nfs/dbraw/zinc/08/39/67/1069083967.db2.gz XKTDHUZEVQUGLU-ZDUSSCGKSA-N 1 2 414.466 -0.097 20 0 HBADLO Cn1cc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(=O)n(C)c1=O ZINC000047266600 1069186318 /nfs/dbraw/zinc/18/63/18/1069186318.db2.gz RGRZFGOFNGMTPN-UHFFFAOYSA-N 1 2 408.480 -0.605 20 0 HBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)NC2CC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000047406451 1068271595 /nfs/dbraw/zinc/27/15/95/1068271595.db2.gz CUTSELSXYWCKLB-UHFFFAOYSA-N 1 2 414.510 -0.457 20 0 HBADLO Cn1c2ncn(CC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)c2c(=O)n(C)c1=O ZINC000047475678 1068284715 /nfs/dbraw/zinc/28/47/15/1068284715.db2.gz YTELCNMJFCAQKF-UHFFFAOYSA-N 1 2 407.434 -0.005 20 0 HBADLO O=C(CCCn1cncn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000047831646 1069604888 /nfs/dbraw/zinc/60/48/88/1069604888.db2.gz UXECSSGPYCUDJO-UHFFFAOYSA-N 1 2 407.500 -0.279 20 0 HBADLO COC(=O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 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O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC1CC1 ZINC000048178235 1068438086 /nfs/dbraw/zinc/43/80/86/1068438086.db2.gz POJMEUYEKXQLSA-UHFFFAOYSA-N 1 2 410.500 -0.889 20 0 HBADLO Cc1noc2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc12 ZINC000048197746 1069222427 /nfs/dbraw/zinc/22/24/27/1069222427.db2.gz WDPNMONUWASNKD-UHFFFAOYSA-N 1 2 408.484 -0.219 20 0 HBADLO COCCNC(=O)CN1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000048277203 1068465340 /nfs/dbraw/zinc/46/53/40/1068465340.db2.gz JPUUIAKQLHWOGX-UHFFFAOYSA-N 1 2 406.531 -0.461 20 0 HBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000048296834 1068471608 /nfs/dbraw/zinc/47/16/08/1068471608.db2.gz XHODRRMQUIMWKB-UHFFFAOYSA-N 1 2 404.515 -0.173 20 0 HBADLO O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2)cc1 ZINC000048917817 1069230680 /nfs/dbraw/zinc/23/06/80/1069230680.db2.gz SRZNHNJOKXRMDK-UHFFFAOYSA-N 1 2 400.439 -0.091 20 0 HBADLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000048917971 1069230748 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C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000051767985 1069255169 /nfs/dbraw/zinc/25/51/69/1069255169.db2.gz MASBMQADRLHHCD-CALCHBBNSA-N 1 2 401.577 -0.399 20 0 HBADLO C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000051767986 1069255060 /nfs/dbraw/zinc/25/50/60/1069255060.db2.gz MASBMQADRLHHCD-IRXDYDNUSA-N 1 2 401.577 -0.399 20 0 HBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000051767987 1069254772 /nfs/dbraw/zinc/25/47/72/1069254772.db2.gz MASBMQADRLHHCD-IAGOWNOFSA-N 1 2 401.577 -0.399 20 0 HBADLO C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768113 1069255132 /nfs/dbraw/zinc/25/51/32/1069255132.db2.gz XCBJZNANNNLCTB-CALCHBBNSA-N 1 2 401.577 -0.114 20 0 HBADLO C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768114 1069255113 /nfs/dbraw/zinc/25/51/13/1069255113.db2.gz XCBJZNANNNLCTB-IRXDYDNUSA-N 1 2 401.577 -0.114 20 0 HBADLO C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768115 1069254909 /nfs/dbraw/zinc/25/49/09/1069254909.db2.gz XCBJZNANNNLCTB-IAGOWNOFSA-N 1 2 401.577 -0.114 20 0 HBADLO CC[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768187 1069389830 /nfs/dbraw/zinc/38/98/30/1069389830.db2.gz MFFMZUNZIWJKMT-QGZVFWFLSA-N 1 2 401.577 -0.113 20 0 HBADLO CC[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768188 1069389680 /nfs/dbraw/zinc/38/96/80/1069389680.db2.gz MFFMZUNZIWJKMT-KRWDZBQOSA-N 1 2 401.577 -0.113 20 0 HBADLO Cc1ccccc1CNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768234 1069254825 /nfs/dbraw/zinc/25/48/25/1069254825.db2.gz BCPXEDZKWMVASX-UHFFFAOYSA-N 1 2 409.556 -0.279 20 0 HBADLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768245 1069255085 /nfs/dbraw/zinc/25/50/85/1069255085.db2.gz SXOJHTICNCMVRK-SJORKVTESA-N 1 2 401.577 -0.209 20 0 HBADLO C[C@H]1CCCC[C@@H]1NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768246 1069255150 /nfs/dbraw/zinc/25/51/50/1069255150.db2.gz SXOJHTICNCMVRK-IRXDYDNUSA-N 1 2 401.577 -0.209 20 0 HBADLO C[C@@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768247 1069254846 /nfs/dbraw/zinc/25/48/46/1069254846.db2.gz SXOJHTICNCMVRK-IAGOWNOFSA-N 1 2 401.577 -0.209 20 0 HBADLO C[C@H]1CCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768248 1069254964 /nfs/dbraw/zinc/25/49/64/1069254964.db2.gz SXOJHTICNCMVRK-DLBZAZTESA-N 1 2 401.577 -0.209 20 0 HBADLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768278 1069254936 /nfs/dbraw/zinc/25/49/36/1069254936.db2.gz VTJPGRAGFKGSHU-FGTMMUONSA-N 1 2 415.604 -0.011 20 0 HBADLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768280 1069255028 /nfs/dbraw/zinc/25/50/28/1069255028.db2.gz VTJPGRAGFKGSHU-KZNAEPCWSA-N 1 2 415.604 -0.011 20 0 HBADLO Cc1ccccc1OC[C@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768352 1069253681 /nfs/dbraw/zinc/25/36/81/1069253681.db2.gz GAUXXSOVJSHCGS-GOSISDBHSA-N 1 2 412.556 -0.155 20 0 HBADLO Cc1ccccc1OC[C@@H](O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768353 1069253826 /nfs/dbraw/zinc/25/38/26/1069253826.db2.gz GAUXXSOVJSHCGS-SFHVURJKSA-N 1 2 412.556 -0.155 20 0 HBADLO Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000051768355 1069253578 /nfs/dbraw/zinc/25/35/78/1069253578.db2.gz CEPOCIVNJGBELH-GOSISDBHSA-N 1 2 412.556 -0.155 20 0 HBADLO Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000051768356 1069253459 /nfs/dbraw/zinc/25/34/59/1069253459.db2.gz CEPOCIVNJGBELH-SFHVURJKSA-N 1 2 412.556 -0.155 20 0 HBADLO Cc1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000051768357 1069253778 /nfs/dbraw/zinc/25/37/78/1069253778.db2.gz LKWHHLFTXBZAFO-GOSISDBHSA-N 1 2 412.556 -0.155 20 0 HBADLO Cc1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000051768358 1069253617 /nfs/dbraw/zinc/25/36/17/1069253617.db2.gz LKWHHLFTXBZAFO-SFHVURJKSA-N 1 2 412.556 -0.155 20 0 HBADLO CC1CCC(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000051768470 1069253751 /nfs/dbraw/zinc/25/37/51/1069253751.db2.gz QDBIPYFYAHINDT-UHFFFAOYSA-N 1 2 401.577 -0.209 20 0 HBADLO C[C@@H](C(=O)NCc1cccs1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768510 1069254237 /nfs/dbraw/zinc/25/42/37/1069254237.db2.gz HSADFJPNMSPOHP-HNNXBMFYSA-N 1 2 415.585 -0.137 20 0 HBADLO C[C@H](C(=O)NCc1cccs1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768511 1069254523 /nfs/dbraw/zinc/25/45/23/1069254523.db2.gz HSADFJPNMSPOHP-OAHLLOKOSA-N 1 2 415.585 -0.137 20 0 HBADLO C[C@@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768512 1069389084 /nfs/dbraw/zinc/38/90/84/1069389084.db2.gz YPGCYIQPRLTNQV-KRWDZBQOSA-N 1 2 401.577 -0.113 20 0 HBADLO C[C@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768513 1069389143 /nfs/dbraw/zinc/38/91/43/1069389143.db2.gz YPGCYIQPRLTNQV-QGZVFWFLSA-N 1 2 401.577 -0.113 20 0 HBADLO C[C@@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768535 1069254192 /nfs/dbraw/zinc/25/41/92/1069254192.db2.gz FFSJWUBYYFGAFK-KRWDZBQOSA-N 1 2 409.556 -0.199 20 0 HBADLO C[C@H](C(=O)NCc1ccccc1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768536 1069254356 /nfs/dbraw/zinc/25/43/56/1069254356.db2.gz FFSJWUBYYFGAFK-QGZVFWFLSA-N 1 2 409.556 -0.199 20 0 HBADLO COC(=O)c1oc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000051768550 1068396866 /nfs/dbraw/zinc/39/68/66/1068396866.db2.gz RYCUVDAPUDFHAD-UHFFFAOYSA-N 1 2 400.501 -0.016 20 0 HBADLO CCOCCCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768564 1069389157 /nfs/dbraw/zinc/38/91/57/1069389157.db2.gz WVERDOUHCARYKE-MRXNPFEDSA-N 1 2 405.565 -0.973 20 0 HBADLO CCOCCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000051768565 1069389067 /nfs/dbraw/zinc/38/90/67/1069389067.db2.gz WVERDOUHCARYKE-INIZCTEOSA-N 1 2 405.565 -0.973 20 0 HBADLO COc1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000051768607 1069389263 /nfs/dbraw/zinc/38/92/63/1069389263.db2.gz DAIWDJDIGWWNSI-UHFFFAOYSA-N 1 2 411.528 -0.257 20 0 HBADLO Cc1cc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000051768624 1069255751 /nfs/dbraw/zinc/25/57/51/1069255751.db2.gz UXDUIAZBARWXLO-CQSZACIVSA-N 1 2 400.505 -0.580 20 0 HBADLO Cc1cc(NC(=O)[C@H](C)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000051768625 1069255630 /nfs/dbraw/zinc/25/56/30/1069255630.db2.gz UXDUIAZBARWXLO-AWEZNQCLSA-N 1 2 400.505 -0.580 20 0 HBADLO COC(=O)C[C@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000051795425 1069398040 /nfs/dbraw/zinc/39/80/40/1069398040.db2.gz VOSXKJXZCMIFRO-SFHVURJKSA-N 1 2 418.494 -0.297 20 0 HBADLO COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000051795427 1069397946 /nfs/dbraw/zinc/39/79/46/1069397946.db2.gz VOSXKJXZCMIFRO-GOSISDBHSA-N 1 2 418.494 -0.297 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1 ZINC000051890155 1069418690 /nfs/dbraw/zinc/41/86/90/1069418690.db2.gz ZPZFAYFKDDJXOP-KRWDZBQOSA-N 1 2 403.483 -0.525 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1 ZINC000051890157 1069418603 /nfs/dbraw/zinc/41/86/03/1069418603.db2.gz ZPZFAYFKDDJXOP-QGZVFWFLSA-N 1 2 403.483 -0.525 20 0 HBADLO O=C(COC(=O)Cn1cnc([N+](=O)[O-])n1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052037703 1068750117 /nfs/dbraw/zinc/75/01/17/1068750117.db2.gz OVPMETSAVXZNPT-UHFFFAOYSA-N 1 2 418.410 -0.122 20 0 HBADLO CCS(=O)(=O)N1CC[NH+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000052113217 1069459338 /nfs/dbraw/zinc/45/93/38/1069459338.db2.gz PTDYHTWYZLNYPA-UHFFFAOYSA-N 1 2 404.514 -0.370 20 0 HBADLO Cn1cc(CCC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000052217078 1068771601 /nfs/dbraw/zinc/77/16/01/1068771601.db2.gz MEDRSPPFPUNKEG-UHFFFAOYSA-N 1 2 412.454 -0.079 20 0 HBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)cc1 ZINC000052244812 1069466567 /nfs/dbraw/zinc/46/65/67/1069466567.db2.gz UBZKFEQFCHKMHB-UHFFFAOYSA-N 1 2 410.540 -0.083 20 0 HBADLO CCCNC(=O)C[N@@H+](CCC)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000052246971 1069465993 /nfs/dbraw/zinc/46/59/93/1069465993.db2.gz CFOXZPCUDVHDOV-UHFFFAOYSA-N 1 2 411.547 -0.772 20 0 HBADLO CCCNC(=O)C[N@H+](CCC)CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000052246971 1069465986 /nfs/dbraw/zinc/46/59/86/1069465986.db2.gz CFOXZPCUDVHDOV-UHFFFAOYSA-N 1 2 411.547 -0.772 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000052293975 1069461801 /nfs/dbraw/zinc/46/18/01/1069461801.db2.gz WIYDZIKLKGEAKV-UHFFFAOYSA-N 1 2 411.532 -0.725 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000052295704 1069461771 /nfs/dbraw/zinc/46/17/71/1069461771.db2.gz INESTOWILHECCP-MRXNPFEDSA-N 1 2 406.574 -0.129 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000052295707 1069461708 /nfs/dbraw/zinc/46/17/08/1069461708.db2.gz INESTOWILHECCP-INIZCTEOSA-N 1 2 406.574 -0.129 20 0 HBADLO Cn1ncc2c1ncnc2N1CC[NH+](CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000052433398 1068795212 /nfs/dbraw/zinc/79/52/12/1068795212.db2.gz NKBZVICLDZFQLQ-UHFFFAOYSA-N 1 2 401.471 -0.149 20 0 HBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1 ZINC000052488033 1069464566 /nfs/dbraw/zinc/46/45/66/1069464566.db2.gz GDQWFXHNYDNYHT-UHFFFAOYSA-N 1 2 411.528 -0.840 20 0 HBADLO CN(C)S(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000052564054 1069471311 /nfs/dbraw/zinc/47/13/11/1069471311.db2.gz AGXVBHLQHAYFRV-UHFFFAOYSA-N 1 2 415.585 -0.184 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000052581988 1069480772 /nfs/dbraw/zinc/48/07/72/1069480772.db2.gz WMYSYXGEXCXTMK-UHFFFAOYSA-N 1 2 408.503 -0.803 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000052581988 1069480769 /nfs/dbraw/zinc/48/07/69/1069480769.db2.gz WMYSYXGEXCXTMK-UHFFFAOYSA-N 1 2 408.503 -0.803 20 0 HBADLO C[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000052637495 1069471264 /nfs/dbraw/zinc/47/12/64/1069471264.db2.gz IYMUBANSLOEGNB-HNNXBMFYSA-N 1 2 415.560 -0.682 20 0 HBADLO C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000052637496 1069471184 /nfs/dbraw/zinc/47/11/84/1069471184.db2.gz IYMUBANSLOEGNB-OAHLLOKOSA-N 1 2 415.560 -0.682 20 0 HBADLO COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000052637499 1069195235 /nfs/dbraw/zinc/19/52/35/1069195235.db2.gz MEWCYZLYKCEFFE-UHFFFAOYSA-N 1 2 410.496 -0.277 20 0 HBADLO C[C@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000052637509 1069471299 /nfs/dbraw/zinc/47/12/99/1069471299.db2.gz JEQQHVKUTNZNNG-AWEZNQCLSA-N 1 2 413.500 -0.966 20 0 HBADLO C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000052637511 1069471237 /nfs/dbraw/zinc/47/12/37/1069471237.db2.gz JEQQHVKUTNZNNG-CQSZACIVSA-N 1 2 413.500 -0.966 20 0 HBADLO CCc1noc(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000052637512 1068831093 /nfs/dbraw/zinc/83/10/93/1068831093.db2.gz SSJVNPRYOKZZLX-UHFFFAOYSA-N 1 2 414.532 -0.409 20 0 HBADLO COc1cccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000052637515 1069483124 /nfs/dbraw/zinc/48/31/24/1069483124.db2.gz IOOXVECJMOGEDT-UHFFFAOYSA-N 1 2 412.512 -0.290 20 0 HBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000052643228 1069471807 /nfs/dbraw/zinc/47/18/07/1069471807.db2.gz PKEXFXBDSJPVOH-UHFFFAOYSA-N 1 2 412.578 -0.822 20 0 HBADLO CCCS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000052643450 1069483203 /nfs/dbraw/zinc/48/32/03/1069483203.db2.gz UYKLXNHRROMRQJ-UHFFFAOYSA-N 1 2 400.545 -0.139 20 0 HBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052669873 1069477496 /nfs/dbraw/zinc/47/74/96/1069477496.db2.gz RSVLUKGLBBRMHY-HNNXBMFYSA-N 1 2 417.576 -0.941 20 0 HBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000052669873 1069477490 /nfs/dbraw/zinc/47/74/90/1069477490.db2.gz RSVLUKGLBBRMHY-HNNXBMFYSA-N 1 2 417.576 -0.941 20 0 HBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000052669875 1069477536 /nfs/dbraw/zinc/47/75/36/1069477536.db2.gz RSVLUKGLBBRMHY-OAHLLOKOSA-N 1 2 417.576 -0.941 20 0 HBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000052669875 1069477535 /nfs/dbraw/zinc/47/75/35/1069477535.db2.gz RSVLUKGLBBRMHY-OAHLLOKOSA-N 1 2 417.576 -0.941 20 0 HBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052670285 1069478002 /nfs/dbraw/zinc/47/80/02/1069478002.db2.gz XJSKKGCJFMRAPH-GJZGRUSLSA-N 1 2 412.512 -0.034 20 0 HBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052670285 1069477998 /nfs/dbraw/zinc/47/79/98/1069477998.db2.gz XJSKKGCJFMRAPH-GJZGRUSLSA-N 1 2 412.512 -0.034 20 0 HBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052670287 1069478054 /nfs/dbraw/zinc/47/80/54/1069478054.db2.gz XJSKKGCJFMRAPH-CABCVRRESA-N 1 2 412.512 -0.034 20 0 HBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000052670287 1069478049 /nfs/dbraw/zinc/47/80/49/1069478049.db2.gz XJSKKGCJFMRAPH-CABCVRRESA-N 1 2 412.512 -0.034 20 0 HBADLO CCOCCCNC(=O)C1CC[NH+](CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000052673014 1069485304 /nfs/dbraw/zinc/48/53/04/1069485304.db2.gz KRJYHXQWBKPDJY-UHFFFAOYSA-N 1 2 409.487 -0.424 20 0 HBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052692092 1069485874 /nfs/dbraw/zinc/48/58/74/1069485874.db2.gz ZZEBJUGOPTYRMU-QWHCGFSZSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052692092 1069485870 /nfs/dbraw/zinc/48/58/70/1069485870.db2.gz ZZEBJUGOPTYRMU-QWHCGFSZSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052692095 1069485803 /nfs/dbraw/zinc/48/58/03/1069485803.db2.gz ZZEBJUGOPTYRMU-CHWSQXEVSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052692095 1069485795 /nfs/dbraw/zinc/48/57/95/1069485795.db2.gz ZZEBJUGOPTYRMU-CHWSQXEVSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693825 1069486490 /nfs/dbraw/zinc/48/64/90/1069486490.db2.gz ZHYWKAMJJPDPJY-QWHCGFSZSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693825 1069486484 /nfs/dbraw/zinc/48/64/84/1069486484.db2.gz ZHYWKAMJJPDPJY-QWHCGFSZSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693828 1069486540 /nfs/dbraw/zinc/48/65/40/1069486540.db2.gz ZHYWKAMJJPDPJY-CHWSQXEVSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000052693828 1069486537 /nfs/dbraw/zinc/48/65/37/1069486537.db2.gz ZHYWKAMJJPDPJY-CHWSQXEVSA-N 1 2 418.541 -0.078 20 0 HBADLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000052703779 1069486269 /nfs/dbraw/zinc/48/62/69/1069486269.db2.gz HHUBAVNXRFTARV-UHFFFAOYSA-N 1 2 415.516 -0.288 20 0 HBADLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000052703779 1069486268 /nfs/dbraw/zinc/48/62/68/1069486268.db2.gz HHUBAVNXRFTARV-UHFFFAOYSA-N 1 2 415.516 -0.288 20 0 HBADLO Cn1c2ncn(CC[NH+]3CCN(C(=O)Cc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000052779829 1069494297 /nfs/dbraw/zinc/49/42/97/1069494297.db2.gz YHRGNTUMEHBZKN-UHFFFAOYSA-N 1 2 410.478 -0.179 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](CC(N)=O)C2CCCC2)CC1 ZINC000052826610 1070529336 /nfs/dbraw/zinc/52/93/36/1070529336.db2.gz IBRIYVBUWSDNBA-UHFFFAOYSA-N 1 2 400.487 -0.258 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](CC(N)=O)C2CCCC2)CC1 ZINC000052826610 1070529324 /nfs/dbraw/zinc/52/93/24/1070529324.db2.gz IBRIYVBUWSDNBA-UHFFFAOYSA-N 1 2 400.487 -0.258 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000052834890 1069495415 /nfs/dbraw/zinc/49/54/15/1069495415.db2.gz DYTVCSGEASXKRB-GOSISDBHSA-N 1 2 401.511 -0.218 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)CC1 ZINC000052834890 1069495414 /nfs/dbraw/zinc/49/54/14/1069495414.db2.gz DYTVCSGEASXKRB-GOSISDBHSA-N 1 2 401.511 -0.218 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000052834894 1069495360 /nfs/dbraw/zinc/49/53/60/1069495360.db2.gz DYTVCSGEASXKRB-SFHVURJKSA-N 1 2 401.511 -0.218 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)CC1 ZINC000052834894 1069495356 /nfs/dbraw/zinc/49/53/56/1069495356.db2.gz DYTVCSGEASXKRB-SFHVURJKSA-N 1 2 401.511 -0.218 20 0 HBADLO C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000052903013 1069498230 /nfs/dbraw/zinc/49/82/30/1069498230.db2.gz KCBYAANDRKQABA-INIZCTEOSA-N 1 2 414.510 -0.459 20 0 HBADLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000052903015 1069498106 /nfs/dbraw/zinc/49/81/06/1069498106.db2.gz KCBYAANDRKQABA-MRXNPFEDSA-N 1 2 414.510 -0.459 20 0 HBADLO O=C(CN1CCN(C(=O)C(=O)NC2CC2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052903504 1071122261 /nfs/dbraw/zinc/12/22/61/1071122261.db2.gz QUGBJKQOXBOMJX-UHFFFAOYSA-N 1 2 419.551 -0.185 20 0 HBADLO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000052971488 1070612619 /nfs/dbraw/zinc/61/26/19/1070612619.db2.gz XIUKQMUWYSJSFZ-UHFFFAOYSA-N 1 2 401.467 -0.119 20 0 HBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000052996037 1070416274 /nfs/dbraw/zinc/41/62/74/1070416274.db2.gz VJORSTKGGOLNQB-OAHLLOKOSA-N 1 2 411.528 -0.606 20 0 HBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000052996038 1070416219 /nfs/dbraw/zinc/41/62/19/1070416219.db2.gz VJORSTKGGOLNQB-HNNXBMFYSA-N 1 2 411.528 -0.606 20 0 HBADLO COc1ccc(C(=O)NNC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)cc1OC ZINC000053283532 1069104659 /nfs/dbraw/zinc/10/46/59/1069104659.db2.gz APSXTNLRUSJEQG-UHFFFAOYSA-N 1 2 405.455 -0.046 20 0 HBADLO COC(=O)N1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000053374098 1069110398 /nfs/dbraw/zinc/11/03/98/1069110398.db2.gz KRQDCDROXHDDQS-UHFFFAOYSA-N 1 2 402.459 -0.604 20 0 HBADLO CCS(=O)(=O)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053505985 1071666107 /nfs/dbraw/zinc/66/61/07/1071666107.db2.gz UJBMHVKTFAHHAG-UHFFFAOYSA-N 1 2 404.514 -0.916 20 0 HBADLO Cn1c2ncn(CC(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)c2c(=O)n(C)c1=O ZINC000053896652 1071729581 /nfs/dbraw/zinc/72/95/81/1071729581.db2.gz RSXZRTUOSOQNDD-UHFFFAOYSA-N 1 2 407.434 -0.005 20 0 HBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000053965328 1071730741 /nfs/dbraw/zinc/73/07/41/1071730741.db2.gz QGYXFTXPMMUMBS-UHFFFAOYSA-N 1 2 416.526 -0.075 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000054258744 1071732079 /nfs/dbraw/zinc/73/20/79/1071732079.db2.gz GOBNEJHANFMBOL-UHFFFAOYSA-N 1 2 410.496 -0.650 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)cc1 ZINC000054258744 1071732076 /nfs/dbraw/zinc/73/20/76/1071732076.db2.gz GOBNEJHANFMBOL-UHFFFAOYSA-N 1 2 410.496 -0.650 20 0 HBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCNC(=O)CC3)CC2)cc1C ZINC000054258752 1071732174 /nfs/dbraw/zinc/73/21/74/1071732174.db2.gz LDCMQVJXDUAABY-UHFFFAOYSA-N 1 2 408.524 -0.042 20 0 HBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCNC(=O)CC3)CC2)cc1C ZINC000054258752 1071732168 /nfs/dbraw/zinc/73/21/68/1071732168.db2.gz LDCMQVJXDUAABY-UHFFFAOYSA-N 1 2 408.524 -0.042 20 0 HBADLO Cc1cc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)no1 ZINC000054359822 1071732038 /nfs/dbraw/zinc/73/20/38/1071732038.db2.gz HAHCHDCZJAVSBB-NSHDSACASA-N 1 2 418.454 -0.115 20 0 HBADLO Cc1cc(NC(=O)C2CC[NH+]([C@H](C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)no1 ZINC000054359823 1071732109 /nfs/dbraw/zinc/73/21/09/1071732109.db2.gz HAHCHDCZJAVSBB-LLVKDONJSA-N 1 2 418.454 -0.115 20 0 HBADLO 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ZINC000054808752 1069364663 /nfs/dbraw/zinc/36/46/63/1069364663.db2.gz ZUCBDVFUFHRQNN-UHFFFAOYSA-N 1 2 407.500 -0.234 20 0 HBADLO NC(=O)CN1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000054978498 1071734589 /nfs/dbraw/zinc/73/45/89/1071734589.db2.gz BYZAOZJTPUYMBC-UHFFFAOYSA-N 1 2 412.512 -0.811 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000054986839 1071735254 /nfs/dbraw/zinc/73/52/54/1071735254.db2.gz ZWIBYSYJPJOAPB-MRXNPFEDSA-N 1 2 412.498 -0.245 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)CC1 ZINC000054986839 1071735248 /nfs/dbraw/zinc/73/52/48/1071735248.db2.gz ZWIBYSYJPJOAPB-MRXNPFEDSA-N 1 2 412.498 -0.245 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000054986841 1071735337 /nfs/dbraw/zinc/73/53/37/1071735337.db2.gz ZWIBYSYJPJOAPB-INIZCTEOSA-N 1 2 412.498 -0.245 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000054986841 1071735335 /nfs/dbraw/zinc/73/53/35/1071735335.db2.gz ZWIBYSYJPJOAPB-INIZCTEOSA-N 1 2 412.498 -0.245 20 0 HBADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994313 1071735288 /nfs/dbraw/zinc/73/52/88/1071735288.db2.gz FLCRJANQAKDHRF-OWCLPIDISA-N 1 2 401.529 -0.409 20 0 HBADLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994313 1071735283 /nfs/dbraw/zinc/73/52/83/1071735283.db2.gz FLCRJANQAKDHRF-OWCLPIDISA-N 1 2 401.529 -0.409 20 0 HBADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994315 1071735138 /nfs/dbraw/zinc/73/51/38/1071735138.db2.gz FLCRJANQAKDHRF-PMPSAXMXSA-N 1 2 401.529 -0.409 20 0 HBADLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994315 1071735131 /nfs/dbraw/zinc/73/51/31/1071735131.db2.gz FLCRJANQAKDHRF-PMPSAXMXSA-N 1 2 401.529 -0.409 20 0 HBADLO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000054994320 1069730749 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/nfs/dbraw/zinc/53/69/08/1069536908.db2.gz VVHPHAVUPBNBSV-UHFFFAOYSA-N 1 2 412.512 -0.227 20 0 HBADLO CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC[N@H+](CC(N)=O)CC2)cc1 ZINC000141779360 1069536905 /nfs/dbraw/zinc/53/69/05/1069536905.db2.gz VVHPHAVUPBNBSV-UHFFFAOYSA-N 1 2 412.512 -0.227 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)c2)CC1 ZINC000142137232 1068871586 /nfs/dbraw/zinc/87/15/86/1068871586.db2.gz FRIRGXCAVSKXNS-UHFFFAOYSA-N 1 2 417.510 -0.262 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c2)CC1 ZINC000142936691 1068871271 /nfs/dbraw/zinc/87/12/71/1068871271.db2.gz PCFIJHATQFFSCL-UHFFFAOYSA-N 1 2 411.528 -0.572 20 0 HBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000143763057 1068872322 /nfs/dbraw/zinc/87/23/22/1068872322.db2.gz AHXFBNAOOJFATJ-UHFFFAOYSA-N 1 2 409.512 -0.665 20 0 HBADLO CCOC(=O)CC[N@H+](CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)CC1CC1 ZINC000143882027 1070540291 /nfs/dbraw/zinc/54/02/91/1070540291.db2.gz ZFOKSRINQZLAJW-KRWDZBQOSA-N 1 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CCN(C(=O)C[N@@H+]1C[C@H](C(=O)NCCOC)CC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000144298728 1068873268 /nfs/dbraw/zinc/87/32/68/1068873268.db2.gz MRXZAQTWVWLITB-XHSDSOJGSA-N 1 2 403.545 -0.115 20 0 HBADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000144448223 1068873830 /nfs/dbraw/zinc/87/38/30/1068873830.db2.gz JAFFHPLOIQSZNV-UHFFFAOYSA-N 1 2 417.510 -0.310 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC3(C(N)=O)CCOCC3)c2)CC1 ZINC000145051353 1068873576 /nfs/dbraw/zinc/87/35/76/1068873576.db2.gz QZLOXJVUEQIDRK-UHFFFAOYSA-N 1 2 417.510 -0.229 20 0 HBADLO O=C(N[C@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000145200828 1068363143 /nfs/dbraw/zinc/36/31/43/1068363143.db2.gz VGSKIDLGQQXLSQ-SJORKVTESA-N 1 2 402.499 -0.258 20 0 HBADLO O=C(N[C@@H]1CCCN(c2ncccn2)C1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000145201027 1068364132 /nfs/dbraw/zinc/36/41/32/1068364132.db2.gz VGSKIDLGQQXLSQ-IAGOWNOFSA-N 1 2 402.499 -0.258 20 0 HBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 ZINC000145563195 1068875023 /nfs/dbraw/zinc/87/50/23/1068875023.db2.gz IXWYTNZJZQTSAN-UHFFFAOYSA-N 1 2 407.500 -0.069 20 0 HBADLO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H](O)[C@@H]1O ZINC000145862546 1068283168 /nfs/dbraw/zinc/28/31/68/1068283168.db2.gz HUKNAZOLAQFMBZ-NSDPQSHHSA-N 1 2 413.438 -0.476 20 0 HBADLO CCC[C@@H](NC(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000147114971 1068874513 /nfs/dbraw/zinc/87/45/13/1068874513.db2.gz QSTSVSTXDXJXJB-CQSZACIVSA-N 1 2 412.516 -0.513 20 0 HBADLO Cc1noc(C)c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000148505019 1068922849 /nfs/dbraw/zinc/92/28/49/1068922849.db2.gz OMIMURBHPSKHOF-UHFFFAOYSA-N 1 2 400.505 -0.389 20 0 HBADLO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000149830295 1068367577 /nfs/dbraw/zinc/36/75/77/1068367577.db2.gz LGXKIEJQYPQCPG-LJQANCHMSA-N 1 2 405.430 -0.388 20 0 HBADLO C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000149830295 1068367572 /nfs/dbraw/zinc/36/75/72/1068367572.db2.gz LGXKIEJQYPQCPG-LJQANCHMSA-N 1 2 405.430 -0.388 20 0 HBADLO Cn1c2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2n(C)c1=O ZINC000150146376 1068623959 /nfs/dbraw/zinc/62/39/59/1068623959.db2.gz SABPCLVBLLITFC-AWEZNQCLSA-N 1 2 401.467 -0.004 20 0 HBADLO CCN(CC)C(=O)N1CC[NH+](CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000164750014 1068879078 /nfs/dbraw/zinc/87/90/78/1068879078.db2.gz DVJPHSOCARKRGV-UHFFFAOYSA-N 1 2 405.503 -0.097 20 0 HBADLO C[NH+](C)CCN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000170393977 1071729521 /nfs/dbraw/zinc/72/95/21/1071729521.db2.gz OQKGLCZTSYSGPW-GOSISDBHSA-N 1 2 422.551 -0.088 20 0 HBADLO C[NH+](C)CCN(C(=O)C(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000170393978 1071729711 /nfs/dbraw/zinc/72/97/11/1071729711.db2.gz OQKGLCZTSYSGPW-SFHVURJKSA-N 1 2 422.551 -0.088 20 0 HBADLO O=C(CN1CC[NH+](C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)NC1CC1 ZINC000261385501 1071306283 /nfs/dbraw/zinc/30/62/83/1071306283.db2.gz BHYIXEBHWSXYKV-KRWDZBQOSA-N 1 2 401.467 -0.240 20 0 HBADLO O=C(CN1CC[NH+](C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1)NC1CC1 ZINC000261385522 1071306027 /nfs/dbraw/zinc/30/60/27/1071306027.db2.gz BHYIXEBHWSXYKV-QGZVFWFLSA-N 1 2 401.467 -0.240 20 0 HBADLO Cc1nn(C)c2ncc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc12 ZINC000261397483 1071309871 /nfs/dbraw/zinc/30/98/71/1071309871.db2.gz YJJZXNPJYNUAJD-UHFFFAOYSA-N 1 2 407.544 -0.113 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000303502106 1071673497 /nfs/dbraw/zinc/67/34/97/1071673497.db2.gz VFCADXQSBGLLLK-UHFFFAOYSA-N 1 2 407.438 -0.088 20 0 HBADLO CO[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000409457243 1071926987 /nfs/dbraw/zinc/92/69/87/1071926987.db2.gz JZBKNMHLNXAFIC-KRWDZBQOSA-N 1 2 422.511 -0.229 20 0 HBADLO CO[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000409457245 1071927072 /nfs/dbraw/zinc/92/70/72/1071927072.db2.gz JZBKNMHLNXAFIC-QGZVFWFLSA-N 1 2 422.511 -0.229 20 0 HBADLO C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC(=O)NC1 ZINC000409458925 1071927462 /nfs/dbraw/zinc/92/74/62/1071927462.db2.gz YDXHVCVFLXNULW-GOSISDBHSA-N 1 2 409.512 -0.434 20 0 HBADLO C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC(=O)NC1 ZINC000409458928 1071927513 /nfs/dbraw/zinc/92/75/13/1071927513.db2.gz YDXHVCVFLXNULW-SFHVURJKSA-N 1 2 409.512 -0.434 20 0 HBADLO COc1coc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1=O ZINC000409459419 1071927549 /nfs/dbraw/zinc/92/75/49/1071927549.db2.gz MSGQPYBARCSXPO-UHFFFAOYSA-N 1 2 422.463 -0.075 20 0 HBADLO C[C@H]1CN(c2nc(N3CCOCC3)nc(N3CC(=O)N(C)[C@@H](C)C3)[nH+]2)CC(=O)N1C ZINC000409534167 1071931178 /nfs/dbraw/zinc/93/11/78/1071931178.db2.gz GVHFADWUDUHVDB-KBPBESRZSA-N 1 2 418.502 -0.958 20 0 HBADLO C[C@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CC(=O)N(C)[C@@H](C)C3)n2)CC(=O)N1C ZINC000409534167 1071931164 /nfs/dbraw/zinc/93/11/64/1071931164.db2.gz GVHFADWUDUHVDB-KBPBESRZSA-N 1 2 418.502 -0.958 20 0 HBADLO C[C@@H]1CN(c2nc(N3CCOCC3)nc(N3CC(=O)N(C)[C@H](C)C3)[nH+]2)CC(=O)N1C ZINC000409534184 1071931211 /nfs/dbraw/zinc/93/12/11/1071931211.db2.gz GVHFADWUDUHVDB-ZIAGYGMSSA-N 1 2 418.502 -0.958 20 0 HBADLO C[C@@H]1CN(c2nc(N3CCOCC3)[nH+]c(N3CC(=O)N(C)[C@H](C)C3)n2)CC(=O)N1C ZINC000409534184 1071931198 /nfs/dbraw/zinc/93/11/98/1071931198.db2.gz GVHFADWUDUHVDB-ZIAGYGMSSA-N 1 2 418.502 -0.958 20 0 HBADLO COCC1(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCC1 ZINC000409609670 1071937381 /nfs/dbraw/zinc/93/73/81/1071937381.db2.gz FGRQCBVDYUZONI-UHFFFAOYSA-N 1 2 403.549 -0.378 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000409627645 1071937897 /nfs/dbraw/zinc/93/78/97/1071937897.db2.gz PNVNIJIOBWYVBQ-CKDBGZEDSA-N 1 2 404.533 -0.281 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000409627646 1071937938 /nfs/dbraw/zinc/93/79/38/1071937938.db2.gz PNVNIJIOBWYVBQ-ISXOHVOVSA-N 1 2 404.533 -0.281 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC000409627998 1071937956 /nfs/dbraw/zinc/93/79/56/1071937956.db2.gz SNXLQLLTGZJVLX-HPUBIQBYSA-N 1 2 404.533 -0.281 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)([NH+]2CCOCC2)C1 ZINC000409627999 1071937804 /nfs/dbraw/zinc/93/78/04/1071937804.db2.gz SNXLQLLTGZJVLX-UQPPLGOBSA-N 1 2 404.533 -0.281 20 0 HBADLO Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000409812625 1071942524 /nfs/dbraw/zinc/94/25/24/1071942524.db2.gz OHMRONTVPUAMSW-UHFFFAOYSA-N 1 2 422.467 -0.415 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cnc21 ZINC000409908052 1071944322 /nfs/dbraw/zinc/94/43/22/1071944322.db2.gz RNZJSVPZVNVWJN-ZDUSSCGKSA-N 1 2 423.495 -0.233 20 0 HBADLO O=c1[nH]c2ccc(S(=O)(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc2[nH]c1=O ZINC000409947585 1071945634 /nfs/dbraw/zinc/94/56/34/1071945634.db2.gz LRIGNCBVIBYWMA-ZDUSSCGKSA-N 1 2 408.480 -0.051 20 0 HBADLO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000409974655 1071945658 /nfs/dbraw/zinc/94/56/58/1071945658.db2.gz AYAWFYZFPYINQY-KFWWJZLASA-N 1 2 403.483 -0.242 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000409974656 1071945575 /nfs/dbraw/zinc/94/55/75/1071945575.db2.gz AYAWFYZFPYINQY-QLFBSQMISA-N 1 2 403.483 -0.242 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000409974662 1071945463 /nfs/dbraw/zinc/94/54/63/1071945463.db2.gz AYAWFYZFPYINQY-SOUVJXGZSA-N 1 2 403.483 -0.242 20 0 HBADLO COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000409974665 1071945484 /nfs/dbraw/zinc/94/54/84/1071945484.db2.gz AYAWFYZFPYINQY-ZNMIVQPWSA-N 1 2 403.483 -0.242 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCCCNC1=O ZINC000410236625 1071958143 /nfs/dbraw/zinc/95/81/43/1071958143.db2.gz CSKDSZVFJSYBMU-HNNXBMFYSA-N 1 2 424.527 -0.499 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCCCNC1=O ZINC000410236632 1071957951 /nfs/dbraw/zinc/95/79/51/1071957951.db2.gz CSKDSZVFJSYBMU-OAHLLOKOSA-N 1 2 424.527 -0.499 20 0 HBADLO CCc1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000425950330 1070105074 /nfs/dbraw/zinc/10/50/74/1070105074.db2.gz JTGGTWLDEULJCS-UHFFFAOYSA-N 1 2 414.532 -0.135 20 0 HBADLO Nc1nsc(N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)n1 ZINC000425984350 1070132186 /nfs/dbraw/zinc/13/21/86/1070132186.db2.gz ZTRVMKLBMHTXDA-INIZCTEOSA-N 1 2 413.573 0.160 20 0 HBADLO Nc1nsc(N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)n1 ZINC000425984351 1070132060 /nfs/dbraw/zinc/13/20/60/1070132060.db2.gz ZTRVMKLBMHTXDA-MRXNPFEDSA-N 1 2 413.573 0.160 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000425990804 1070136184 /nfs/dbraw/zinc/13/61/84/1070136184.db2.gz PAVKNOSPBNHLNN-INIZCTEOSA-N 1 2 420.576 -0.086 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000425990805 1070136471 /nfs/dbraw/zinc/13/64/71/1070136471.db2.gz PAVKNOSPBNHLNN-MRXNPFEDSA-N 1 2 420.576 -0.086 20 0 HBADLO Nc1nsc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)n1 ZINC000426027246 1070148932 /nfs/dbraw/zinc/14/89/32/1070148932.db2.gz GYWMUNNRUOMDEZ-UHFFFAOYSA-N 1 2 418.531 -0.436 20 0 HBADLO CC(C)(C(N)=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000426031240 1070148153 /nfs/dbraw/zinc/14/81/53/1070148153.db2.gz RFIRYFHVPQSNCB-UHFFFAOYSA-N 1 2 404.519 -0.810 20 0 HBADLO Cc1nnsc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000426035294 1070151622 /nfs/dbraw/zinc/15/16/22/1070151622.db2.gz IZOURZHDVSITSM-UHFFFAOYSA-N 1 2 403.534 -0.834 20 0 HBADLO CCN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C(C)(C)C1=O ZINC000426116015 1070169263 /nfs/dbraw/zinc/16/92/63/1070169263.db2.gz CGDKSLMNBHRIBL-UHFFFAOYSA-N 1 2 414.514 -0.045 20 0 HBADLO CC(C)CN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1=O ZINC000426137815 1070178660 /nfs/dbraw/zinc/17/86/60/1070178660.db2.gz IAKYLOSNXNETLS-UHFFFAOYSA-N 1 2 414.514 -0.188 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426182974 1070192264 /nfs/dbraw/zinc/19/22/64/1070192264.db2.gz ISITYIKAHPAGHS-ZDUSSCGKSA-N 1 2 424.479 -0.435 20 0 HBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426184382 1070192386 /nfs/dbraw/zinc/19/23/86/1070192386.db2.gz TTZAOHAREHHQAM-HNNXBMFYSA-N 1 2 404.533 -0.856 20 0 HBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186754 1070193818 /nfs/dbraw/zinc/19/38/18/1070193818.db2.gz LVYBJYVTYRWDRR-HNAYVOBHSA-N 1 2 408.499 -0.075 20 0 HBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186755 1070193952 /nfs/dbraw/zinc/19/39/52/1070193952.db2.gz LVYBJYVTYRWDRR-KXBFYZLASA-N 1 2 408.499 -0.075 20 0 HBADLO CC(C)Cc1cc(NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)n[nH]1 ZINC000426230049 1069565413 /nfs/dbraw/zinc/56/54/13/1069565413.db2.gz BAPCCODDQRTENI-UHFFFAOYSA-N 1 2 413.482 0.390 20 0 HBADLO CCCCc1cc(NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)n[nH]1 ZINC000426247442 1069592557 /nfs/dbraw/zinc/59/25/57/1069592557.db2.gz CIDZFBZFHQKQGX-UHFFFAOYSA-N 1 2 413.482 0.534 20 0 HBADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C(N)=O)C1 ZINC000426252034 1070215605 /nfs/dbraw/zinc/21/56/05/1070215605.db2.gz NGJWIGUYKZTEMC-DZGCQCFKSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C(N)=O)C1 ZINC000426252034 1070215590 /nfs/dbraw/zinc/21/55/90/1070215590.db2.gz NGJWIGUYKZTEMC-DZGCQCFKSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C(N)=O)C1 ZINC000426252035 1070215849 /nfs/dbraw/zinc/21/58/49/1070215849.db2.gz NGJWIGUYKZTEMC-HIFRSBDPSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C(N)=O)C1 ZINC000426252035 1070215842 /nfs/dbraw/zinc/21/58/42/1070215842.db2.gz NGJWIGUYKZTEMC-HIFRSBDPSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C(N)=O)C1 ZINC000426252036 1070215702 /nfs/dbraw/zinc/21/57/02/1070215702.db2.gz NGJWIGUYKZTEMC-UKRRQHHQSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@@H](C(N)=O)C1 ZINC000426252036 1070215693 /nfs/dbraw/zinc/21/56/93/1070215693.db2.gz NGJWIGUYKZTEMC-UKRRQHHQSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C(N)=O)C1 ZINC000426252037 1070215472 /nfs/dbraw/zinc/21/54/72/1070215472.db2.gz NGJWIGUYKZTEMC-ZFWWWQNUSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)[C@H](C(N)=O)C1 ZINC000426252037 1070215452 /nfs/dbraw/zinc/21/54/52/1070215452.db2.gz NGJWIGUYKZTEMC-ZFWWWQNUSA-N 1 2 400.487 -0.402 20 0 HBADLO C[C@@]1(c2cccc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c2)NC(=O)NC1=O ZINC000426390280 1070274862 /nfs/dbraw/zinc/27/48/62/1070274862.db2.gz OMMGTVWOWBPCMW-FQEVSTJZSA-N 1 2 412.450 0.522 20 0 HBADLO C[C@]1(c2cccc(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)c2)NC(=O)NC1=O ZINC000426390281 1069562657 /nfs/dbraw/zinc/56/26/57/1069562657.db2.gz OMMGTVWOWBPCMW-HXUWFJFHSA-N 1 2 412.450 0.522 20 0 HBADLO O=C(CN1CCn2c(CO)nnc2C1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000426432486 1070288378 /nfs/dbraw/zinc/28/83/78/1070288378.db2.gz XUWLOOBYFNBSJU-UHFFFAOYSA-N 1 2 412.494 -0.135 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N(CCO)Cc1cccc(F)c1 ZINC000426515082 1070312841 /nfs/dbraw/zinc/31/28/41/1070312841.db2.gz PRSUMTWQBLGEDF-UHFFFAOYSA-N 1 2 419.457 0.314 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000426556495 1070328073 /nfs/dbraw/zinc/32/80/73/1070328073.db2.gz OFMDTGUYLOLLTK-UHFFFAOYSA-N 1 2 400.439 -0.161 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000426557836 1070331041 /nfs/dbraw/zinc/33/10/41/1070331041.db2.gz GODXOSOFWPFESW-UHFFFAOYSA-N 1 2 400.439 -0.161 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccn([C@@H](C)COC)n2)CC1 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/nfs/dbraw/zinc/42/35/69/1070423569.db2.gz FNBWGXSOSQRINZ-INIZCTEOSA-N 1 2 420.514 0.186 20 0 HBADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000426707971 1070423489 /nfs/dbraw/zinc/42/34/89/1070423489.db2.gz FNBWGXSOSQRINZ-MRXNPFEDSA-N 1 2 420.514 0.186 20 0 HBADLO COC[C@@H](C)n1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1 ZINC000426707971 1070423483 /nfs/dbraw/zinc/42/34/83/1070423483.db2.gz FNBWGXSOSQRINZ-MRXNPFEDSA-N 1 2 420.514 0.186 20 0 HBADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000426763380 1070425223 /nfs/dbraw/zinc/42/52/23/1070425223.db2.gz BIMVGNVUQVEURJ-CLCXKQKWSA-N 1 2 408.499 -0.076 20 0 HBADLO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000426763382 1070425292 /nfs/dbraw/zinc/42/52/92/1070425292.db2.gz BIMVGNVUQVEURJ-SPYBWZPUSA-N 1 2 408.499 -0.076 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)CC1 ZINC000426797643 1070429442 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GIVVOWWQOGAECR-HZPDHXFCSA-N 1 2 403.549 -0.237 20 0 HBADLO COc1nc(NC[C@@H]2CN(C3CC3)CCO2)nc(NC[C@@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000426879093 1070438586 /nfs/dbraw/zinc/43/85/86/1070438586.db2.gz ONQMUSMJKBMXQD-IAGOWNOFSA-N 1 2 419.530 -0.726 20 0 HBADLO COc1nc(NC[C@@H]2CN(C3CC3)CCO2)nc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000426879093 1070438582 /nfs/dbraw/zinc/43/85/82/1070438582.db2.gz ONQMUSMJKBMXQD-IAGOWNOFSA-N 1 2 419.530 -0.726 20 0 HBADLO COc1nc(NC[C@H]2CN(C3CC3)CCO2)nc(NC[C@H]2C[N@H+](C3CC3)CCO2)n1 ZINC000426879094 1070439321 /nfs/dbraw/zinc/43/93/21/1070439321.db2.gz ONQMUSMJKBMXQD-IRXDYDNUSA-N 1 2 419.530 -0.726 20 0 HBADLO COc1nc(NC[C@H]2CN(C3CC3)CCO2)nc(NC[C@H]2C[N@@H+](C3CC3)CCO2)n1 ZINC000426879094 1070439316 /nfs/dbraw/zinc/43/93/16/1070439316.db2.gz ONQMUSMJKBMXQD-IRXDYDNUSA-N 1 2 419.530 -0.726 20 0 HBADLO O=C(Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1)NCCO ZINC000426881743 1070439459 /nfs/dbraw/zinc/43/94/59/1070439459.db2.gz KUEIXZCYGQPKLI-KRWDZBQOSA-N 1 2 418.494 -0.543 20 0 HBADLO O=C(Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1)NCCO ZINC000426881745 1070439366 /nfs/dbraw/zinc/43/93/66/1070439366.db2.gz KUEIXZCYGQPKLI-QGZVFWFLSA-N 1 2 418.494 -0.543 20 0 HBADLO CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2C1=O ZINC000426886807 1070439971 /nfs/dbraw/zinc/43/99/71/1070439971.db2.gz PORIVSVUADGILC-CRAIPNDOSA-N 1 2 400.479 -0.095 20 0 HBADLO CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2C1=O ZINC000426886808 1070440165 /nfs/dbraw/zinc/44/01/65/1070440165.db2.gz PORIVSVUADGILC-MAUKXSAKSA-N 1 2 400.479 -0.095 20 0 HBADLO CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2C1=O ZINC000426886809 1070440011 /nfs/dbraw/zinc/44/00/11/1070440011.db2.gz PORIVSVUADGILC-QAPCUYQASA-N 1 2 400.479 -0.095 20 0 HBADLO CN1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2C1=O ZINC000426886810 1070439985 /nfs/dbraw/zinc/43/99/85/1070439985.db2.gz PORIVSVUADGILC-YJBOKZPZSA-N 1 2 400.479 -0.095 20 0 HBADLO 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COc1nc(N[C@H](C)[C@H](C)N2CCOCC2)nc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)n1 ZINC000426903303 1070441007 /nfs/dbraw/zinc/44/10/07/1070441007.db2.gz LUMJSCPAVFARSZ-ZYGGUILKSA-N 1 2 423.562 -0.234 20 0 HBADLO COc1nc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)nc(N[C@@H](C)[C@@H](C)N2CCOCC2)n1 ZINC000426903303 1070441004 /nfs/dbraw/zinc/44/10/04/1070441004.db2.gz LUMJSCPAVFARSZ-ZYGGUILKSA-N 1 2 423.562 -0.234 20 0 HBADLO COc1nc(NCCN2CCOCC2(C)C)nc(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000426904562 1070440990 /nfs/dbraw/zinc/44/09/90/1070440990.db2.gz HSCHCCLYDXAADK-UHFFFAOYSA-N 1 2 423.562 -0.231 20 0 HBADLO COc1nc(NCCN2CCOCC2(C)C)nc(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000426904562 1070440989 /nfs/dbraw/zinc/44/09/89/1070440989.db2.gz HSCHCCLYDXAADK-UHFFFAOYSA-N 1 2 423.562 -0.231 20 0 HBADLO COc1nc(NCCN2CCOC(C)(C)C2)nc(NCC[N@H+]2CCOC(C)(C)C2)n1 ZINC000426904688 1070440960 /nfs/dbraw/zinc/44/09/60/1070440960.db2.gz JDKZCPRIPKQHCH-UHFFFAOYSA-N 1 2 423.562 -0.231 20 0 HBADLO COc1nc(NCCN2CCOC(C)(C)C2)nc(NCC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000426904688 1070440957 /nfs/dbraw/zinc/44/09/57/1070440957.db2.gz JDKZCPRIPKQHCH-UHFFFAOYSA-N 1 2 423.562 -0.231 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)COC)CC1 ZINC000426942731 1070445598 /nfs/dbraw/zinc/44/55/98/1070445598.db2.gz NLHWWEWHFODQQG-UHFFFAOYSA-N 1 2 404.467 -0.049 20 0 HBADLO CCOc1cc2c(cc1NC(=O)C(=O)NC[C@@H](O)C[NH+]1CCOCC1)OCCO2 ZINC000426979649 1070451812 /nfs/dbraw/zinc/45/18/12/1070451812.db2.gz DKHFNTQCAQQVLH-CYBMUJFWSA-N 1 2 409.439 -0.396 20 0 HBADLO CCOc1cc2c(cc1NC(=O)C(=O)NC[C@H](O)C[NH+]1CCOCC1)OCCO2 ZINC000426979650 1070451818 /nfs/dbraw/zinc/45/18/18/1070451818.db2.gz DKHFNTQCAQQVLH-ZDUSSCGKSA-N 1 2 409.439 -0.396 20 0 HBADLO COCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)ccc21 ZINC000426988661 1070450259 /nfs/dbraw/zinc/45/02/59/1070450259.db2.gz CHBKYIOGTBTRRE-UHFFFAOYSA-N 1 2 404.467 -0.313 20 0 HBADLO O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000426994293 1070450384 /nfs/dbraw/zinc/45/03/84/1070450384.db2.gz ZQDMMWYWKWXMMM-UHFFFAOYSA-N 1 2 408.430 -0.627 20 0 HBADLO O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000427006310 1070451859 /nfs/dbraw/zinc/45/18/59/1070451859.db2.gz XWWRBTYXNNKIJB-HNNXBMFYSA-N 1 2 410.496 -0.477 20 0 HBADLO O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000427006311 1070451806 /nfs/dbraw/zinc/45/18/06/1070451806.db2.gz XWWRBTYXNNKIJB-OAHLLOKOSA-N 1 2 410.496 -0.477 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427014880 1070453452 /nfs/dbraw/zinc/45/34/52/1070453452.db2.gz FZVDNOMBUYPZEJ-AWEZNQCLSA-N 1 2 420.466 -0.557 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000427015493 1070453317 /nfs/dbraw/zinc/45/33/17/1070453317.db2.gz IWHUUSNXBVOBNJ-LBPRGKRZSA-N 1 2 401.460 -0.166 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1N1CCCS1(=O)=O ZINC000427015585 1070453358 /nfs/dbraw/zinc/45/33/58/1070453358.db2.gz JHMXTRCVABPNIX-HNNXBMFYSA-N 1 2 424.523 -0.002 20 0 HBADLO C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000427015826 1070453513 /nfs/dbraw/zinc/45/35/13/1070453513.db2.gz KMRSDHNGQSQTBX-INIZCTEOSA-N 1 2 417.510 -0.462 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(=O)(=O)N(C)C ZINC000427015868 1070453294 /nfs/dbraw/zinc/45/32/94/1070453294.db2.gz KSBLUNLYPGRHGQ-AWEZNQCLSA-N 1 2 412.512 -0.291 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000427016285 1070453273 /nfs/dbraw/zinc/45/32/73/1070453273.db2.gz MQVUAPYFIGUPSG-LBPRGKRZSA-N 1 2 401.460 -0.166 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(OCC(=O)N(C)C)c1 ZINC000427016502 1070454364 /nfs/dbraw/zinc/45/43/64/1070454364.db2.gz NUOMHMRUUKIYHQ-HNNXBMFYSA-N 1 2 406.483 -0.074 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1S(=O)(=O)NC1CC1 ZINC000427017035 1070453383 /nfs/dbraw/zinc/45/33/83/1070453383.db2.gz QWXSTJDUCCSEKT-AWEZNQCLSA-N 1 2 424.523 -0.101 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000427017109 1070453497 /nfs/dbraw/zinc/45/34/97/1070453497.db2.gz RFBWNHKTGALKEO-ZDUSSCGKSA-N 1 2 410.496 -0.409 20 0 HBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427019078 1070455971 /nfs/dbraw/zinc/45/59/71/1070455971.db2.gz HBMUHQRPSHKJFQ-ZDUSSCGKSA-N 1 2 406.439 -0.947 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000427019429 1070456037 /nfs/dbraw/zinc/45/60/37/1070456037.db2.gz LOBASJUIPKHJDB-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000427019823 1070456529 /nfs/dbraw/zinc/45/65/29/1070456529.db2.gz NMBVUAFPVRLVFA-CABCVRRESA-N 1 2 402.517 -0.814 20 0 HBADLO O=C(CN1CCCC[C@H]1C[NH+]1CCOCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000427019824 1070456448 /nfs/dbraw/zinc/45/64/48/1070456448.db2.gz NMBVUAFPVRLVFA-GJZGRUSLSA-N 1 2 402.517 -0.814 20 0 HBADLO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000427019825 1070456690 /nfs/dbraw/zinc/45/66/90/1070456690.db2.gz NMBVUAFPVRLVFA-HUUCEWRRSA-N 1 2 402.517 -0.814 20 0 HBADLO O=C(CN1CCCC[C@@H]1C[NH+]1CCOCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000427019826 1070456611 /nfs/dbraw/zinc/45/66/11/1070456611.db2.gz NMBVUAFPVRLVFA-LSDHHAIUSA-N 1 2 402.517 -0.814 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1 ZINC000427020402 1070456667 /nfs/dbraw/zinc/45/66/67/1070456667.db2.gz BPJBUXVGQINOHJ-AWEZNQCLSA-N 1 2 422.457 -0.238 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1S(=O)(=O)NC1CC1 ZINC000427020530 1070456652 /nfs/dbraw/zinc/45/66/52/1070456652.db2.gz QISITSTYWOTRGV-ZDUSSCGKSA-N 1 2 424.523 -0.101 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000427020612 1070456640 /nfs/dbraw/zinc/45/66/40/1070456640.db2.gz QYKAEFZPDVNSME-AWEZNQCLSA-N 1 2 424.523 -0.532 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000427022306 1070456418 /nfs/dbraw/zinc/45/64/18/1070456418.db2.gz XAGCIKANIYFHRC-KRWDZBQOSA-N 1 2 405.499 0.571 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000427022307 1069607378 /nfs/dbraw/zinc/60/73/78/1069607378.db2.gz XAGCIKANIYFHRC-QGZVFWFLSA-N 1 2 405.499 0.571 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000427022362 1070456399 /nfs/dbraw/zinc/45/63/99/1070456399.db2.gz ITTRFGMZTNWFJV-JTQLQIEISA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000427024405 1070457453 /nfs/dbraw/zinc/45/74/53/1070457453.db2.gz SPFOJERMXKRBNJ-AWEZNQCLSA-N 1 2 406.487 -0.595 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1 ZINC000427025654 1070455015 /nfs/dbraw/zinc/45/50/15/1070455015.db2.gz DBTZQHAQZPISIQ-JTQLQIEISA-N 1 2 405.423 -0.168 20 0 HBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)n2)cc1 ZINC000427026431 1070454890 /nfs/dbraw/zinc/45/48/90/1070454890.db2.gz CMQMZVRGYXGJPT-HNNXBMFYSA-N 1 2 401.467 0.404 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(OC)c(OC)c1 ZINC000427026536 1070454902 /nfs/dbraw/zinc/45/49/02/1070454902.db2.gz JYJLUVKWUXNWTB-LBPRGKRZSA-N 1 2 409.439 -0.046 20 0 HBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)ccc21 ZINC000427027208 1070454871 /nfs/dbraw/zinc/45/48/71/1070454871.db2.gz HVANFXWYYGIIRJ-AWEZNQCLSA-N 1 2 404.467 -0.314 20 0 HBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427027439 1070455082 /nfs/dbraw/zinc/45/50/82/1070455082.db2.gz NTVGXKGMFQZVFX-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cccc1C(=O)N1CCOCC1 ZINC000427027854 1070454854 /nfs/dbraw/zinc/45/48/54/1070454854.db2.gz JTRGRGRXDMDVQF-HNNXBMFYSA-N 1 2 418.494 -0.069 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000427028704 1070455124 /nfs/dbraw/zinc/45/51/24/1070455124.db2.gz GKWFSAALLVTUMR-AWEZNQCLSA-N 1 2 402.451 -0.201 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1C(=O)OC ZINC000427029601 1070456010 /nfs/dbraw/zinc/45/60/10/1070456010.db2.gz JPZHOFMRBXPJJT-LBPRGKRZSA-N 1 2 407.423 -0.277 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000427030427 1070455151 /nfs/dbraw/zinc/45/51/51/1070455151.db2.gz TWUXYOIRTLTZTI-AWEZNQCLSA-N 1 2 410.496 -0.310 20 0 HBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427030456 1070454963 /nfs/dbraw/zinc/45/49/63/1070454963.db2.gz UJCFYFPTTDRSDW-AWEZNQCLSA-N 1 2 404.467 -0.314 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000427031020 1070455930 /nfs/dbraw/zinc/45/59/30/1070455930.db2.gz PISLEDNPSUTHFP-ZDUSSCGKSA-N 1 2 410.496 -0.528 20 0 HBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427031237 1070455908 /nfs/dbraw/zinc/45/59/08/1070455908.db2.gz QHPLCMHEQKRPQK-AWEZNQCLSA-N 1 2 413.496 -0.430 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000427032296 1070455996 /nfs/dbraw/zinc/45/59/96/1070455996.db2.gz ATGGCDGFSJLGPK-AWEZNQCLSA-N 1 2 401.467 -0.052 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000427033786 1070456097 /nfs/dbraw/zinc/45/60/97/1070456097.db2.gz KFTPEZBLBHDIFK-HNNXBMFYSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000427033944 1070455834 /nfs/dbraw/zinc/45/58/34/1070455834.db2.gz KUFBXEUGBBAOFO-INIZCTEOSA-N 1 2 418.494 -0.449 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1 ZINC000427034422 1070455860 /nfs/dbraw/zinc/45/58/60/1070455860.db2.gz NSYNFNKJRIZKQK-HNNXBMFYSA-N 1 2 417.510 -0.148 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427034860 1070459048 /nfs/dbraw/zinc/45/90/48/1070459048.db2.gz PZXZNLIFGRIIDC-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000427035566 1070459092 /nfs/dbraw/zinc/45/90/92/1070459092.db2.gz UTQWJVFFFDYJNF-LBPRGKRZSA-N 1 2 409.439 -0.046 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000427036736 1070458978 /nfs/dbraw/zinc/45/89/78/1070458978.db2.gz CRPYPCSOFJOEEG-HNNXBMFYSA-N 1 2 424.523 -0.615 20 0 HBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000427036997 1070459063 /nfs/dbraw/zinc/45/90/63/1070459063.db2.gz DZLTVWRNFAZIJD-LBPRGKRZSA-N 1 2 405.484 -0.152 20 0 HBADLO COC(=O)c1cc(C(C)(C)NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000427037513 1070458967 /nfs/dbraw/zinc/45/89/67/1070458967.db2.gz HNJPVJOCOGQACH-CYBMUJFWSA-N 1 2 408.455 -0.007 20 0 HBADLO COC(=O)c1cc(C(C)(C)NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)no1 ZINC000427037517 1070458989 /nfs/dbraw/zinc/45/89/89/1070458989.db2.gz HNJPVJOCOGQACH-ZDUSSCGKSA-N 1 2 408.455 -0.007 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 ZINC000427038176 1070459073 /nfs/dbraw/zinc/45/90/73/1070459073.db2.gz KJHKXYLUPZMMHV-ZDUSSCGKSA-N 1 2 406.874 0.443 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000427038689 1070459013 /nfs/dbraw/zinc/45/90/13/1070459013.db2.gz PTQFJQHCLMAIDS-AWEZNQCLSA-N 1 2 424.523 -0.067 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000427039168 1070459085 /nfs/dbraw/zinc/45/90/85/1070459085.db2.gz VFCZQWHRKVNRTD-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1NS(C)(=O)=O ZINC000427041371 1070459006 /nfs/dbraw/zinc/45/90/06/1070459006.db2.gz ROVJFKIADHJRGC-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1-n1nnnc1C ZINC000427041917 1070457424 /nfs/dbraw/zinc/45/74/24/1070457424.db2.gz AKGKCDIHSAGOSC-LBPRGKRZSA-N 1 2 403.443 -0.557 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000427042438 1070459473 /nfs/dbraw/zinc/45/94/73/1070459473.db2.gz YSAJNJGGCKJPGY-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000427044519 1070457600 /nfs/dbraw/zinc/45/76/00/1070457600.db2.gz HWCKEKCVJXTXEH-LBPRGKRZSA-N 1 2 416.475 -0.461 20 0 HBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)cc21 ZINC000427045622 1070457986 /nfs/dbraw/zinc/45/79/86/1070457986.db2.gz MQBPYWKWZHJOHK-AWEZNQCLSA-N 1 2 401.467 -0.149 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1NS(C)(=O)=O ZINC000427046169 1070458153 /nfs/dbraw/zinc/45/81/53/1070458153.db2.gz VKFISYTUEGVBPT-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000427046243 1070457584 /nfs/dbraw/zinc/45/75/84/1070457584.db2.gz OTPGUBITOHMRTR-AWEZNQCLSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000427046911 1070457890 /nfs/dbraw/zinc/45/78/90/1070457890.db2.gz ROJFHNLVNBUSJT-AWEZNQCLSA-N 1 2 410.496 -0.310 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000427046944 1070458055 /nfs/dbraw/zinc/45/80/55/1070458055.db2.gz YQMURNHGCGRTGX-AWEZNQCLSA-N 1 2 412.512 -0.163 20 0 HBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427050862 1070458011 /nfs/dbraw/zinc/45/80/11/1070458011.db2.gz DCWAUVLYYCZNTF-CYBMUJFWSA-N 1 2 403.464 -0.189 20 0 HBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000427050863 1070458243 /nfs/dbraw/zinc/45/82/43/1070458243.db2.gz DCWAUVLYYCZNTF-ZDUSSCGKSA-N 1 2 403.464 -0.189 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1N1CCNC1=O ZINC000427248234 1070486303 /nfs/dbraw/zinc/48/63/03/1070486303.db2.gz FLNBYFVNMRLOOW-INIZCTEOSA-N 1 2 419.482 -0.385 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1N1CCNC1=O ZINC000427248237 1070486276 /nfs/dbraw/zinc/48/62/76/1070486276.db2.gz FLNBYFVNMRLOOW-MRXNPFEDSA-N 1 2 419.482 -0.385 20 0 HBADLO Cc1c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cccc1N1CCNC1=O ZINC000427249091 1070486287 /nfs/dbraw/zinc/48/62/87/1070486287.db2.gz JCVZUEABZHTJNA-HNNXBMFYSA-N 1 2 419.482 -0.385 20 0 HBADLO Cc1c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cccc1N1CCNC1=O ZINC000427249092 1070486138 /nfs/dbraw/zinc/48/61/38/1070486138.db2.gz JCVZUEABZHTJNA-OAHLLOKOSA-N 1 2 419.482 -0.385 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427249314 1070486414 /nfs/dbraw/zinc/48/64/14/1070486414.db2.gz JWDYIXJMTQMVIV-INIZCTEOSA-N 1 2 402.451 -0.372 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000427249317 1070486369 /nfs/dbraw/zinc/48/63/69/1070486369.db2.gz JWDYIXJMTQMVIV-MRXNPFEDSA-N 1 2 402.451 -0.372 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1C(=O)N1CCOCC1 ZINC000427291378 1070493959 /nfs/dbraw/zinc/49/39/59/1070493959.db2.gz FSUJUYHLKZRSRU-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C(=O)N1CCOCC1 ZINC000427291845 1070493868 /nfs/dbraw/zinc/49/38/68/1070493868.db2.gz KKXKXRDBSUTGSJ-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C(=O)N1CCOCC1 ZINC000427291845 1070493859 /nfs/dbraw/zinc/49/38/59/1070493859.db2.gz KKXKXRDBSUTGSJ-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1C(=O)N1CCOCC1 ZINC000427291846 1070493933 /nfs/dbraw/zinc/49/39/33/1070493933.db2.gz KKXKXRDBSUTGSJ-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1C(=O)N1CCOCC1 ZINC000427291846 1070493928 /nfs/dbraw/zinc/49/39/28/1070493928.db2.gz KKXKXRDBSUTGSJ-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1C(=O)N1CCOCC1 ZINC000427308793 1070496498 /nfs/dbraw/zinc/49/64/98/1070496498.db2.gz MZOJJPLOZUXVPV-UHFFFAOYSA-N 1 2 404.467 -0.458 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1C(=O)N1CCOCC1 ZINC000427327692 1070499804 /nfs/dbraw/zinc/49/98/04/1070499804.db2.gz FSUJUYHLKZRSRU-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427394403 1070504700 /nfs/dbraw/zinc/50/47/00/1070504700.db2.gz HSGDZVRLYNFMRK-AWEZNQCLSA-N 1 2 404.467 -0.314 20 0 HBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427394403 1070504690 /nfs/dbraw/zinc/50/46/90/1070504690.db2.gz HSGDZVRLYNFMRK-AWEZNQCLSA-N 1 2 404.467 -0.314 20 0 HBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427394404 1070504796 /nfs/dbraw/zinc/50/47/96/1070504796.db2.gz HSGDZVRLYNFMRK-CQSZACIVSA-N 1 2 404.467 -0.314 20 0 HBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427394404 1070504786 /nfs/dbraw/zinc/50/47/86/1070504786.db2.gz HSGDZVRLYNFMRK-CQSZACIVSA-N 1 2 404.467 -0.314 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427394857 1070504618 /nfs/dbraw/zinc/50/46/18/1070504618.db2.gz LIFWYZGDTCCREP-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427394857 1070504608 /nfs/dbraw/zinc/50/46/08/1070504608.db2.gz LIFWYZGDTCCREP-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427394858 1070504380 /nfs/dbraw/zinc/50/43/80/1070504380.db2.gz LIFWYZGDTCCREP-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427394858 1070504375 /nfs/dbraw/zinc/50/43/75/1070504375.db2.gz LIFWYZGDTCCREP-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC[N@H+]1CCO ZINC000427395646 1070504644 /nfs/dbraw/zinc/50/46/44/1070504644.db2.gz QEPQNXQUCYZDGG-CYBMUJFWSA-N 1 2 410.496 -0.528 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC[N@@H+]1CCO ZINC000427395646 1070504637 /nfs/dbraw/zinc/50/46/37/1070504637.db2.gz QEPQNXQUCYZDGG-CYBMUJFWSA-N 1 2 410.496 -0.528 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC[N@H+]1CCO ZINC000427395647 1070504273 /nfs/dbraw/zinc/50/42/73/1070504273.db2.gz QEPQNXQUCYZDGG-ZDUSSCGKSA-N 1 2 410.496 -0.528 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC[N@@H+]1CCO ZINC000427395647 1070504262 /nfs/dbraw/zinc/50/42/62/1070504262.db2.gz QEPQNXQUCYZDGG-ZDUSSCGKSA-N 1 2 410.496 -0.528 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000427395780 1070504730 /nfs/dbraw/zinc/50/47/30/1070504730.db2.gz BAWREQVGKROLPW-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1NS(C)(=O)=O ZINC000427395780 1070504724 /nfs/dbraw/zinc/50/47/24/1070504724.db2.gz BAWREQVGKROLPW-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1NS(C)(=O)=O ZINC000427395783 1070504492 /nfs/dbraw/zinc/50/44/92/1070504492.db2.gz BAWREQVGKROLPW-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1NS(C)(=O)=O ZINC000427395783 1070504478 /nfs/dbraw/zinc/50/44/78/1070504478.db2.gz BAWREQVGKROLPW-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC[N@H+]1CCO ZINC000427396171 1070504767 /nfs/dbraw/zinc/50/47/67/1070504767.db2.gz DJOPHNPKFJGXHF-AWEZNQCLSA-N 1 2 424.523 -0.067 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC[N@@H+]1CCO ZINC000427396171 1070504757 /nfs/dbraw/zinc/50/47/57/1070504757.db2.gz DJOPHNPKFJGXHF-AWEZNQCLSA-N 1 2 424.523 -0.067 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC[N@H+]1CCO ZINC000427396172 1070504554 /nfs/dbraw/zinc/50/45/54/1070504554.db2.gz DJOPHNPKFJGXHF-CQSZACIVSA-N 1 2 424.523 -0.067 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC[N@@H+]1CCO ZINC000427396172 1070504541 /nfs/dbraw/zinc/50/45/41/1070504541.db2.gz DJOPHNPKFJGXHF-CQSZACIVSA-N 1 2 424.523 -0.067 20 0 HBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427396225 1070504347 /nfs/dbraw/zinc/50/43/47/1070504347.db2.gz RWZPLGNZHIYKJB-GFCCVEGCSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427396225 1070504338 /nfs/dbraw/zinc/50/43/38/1070504338.db2.gz RWZPLGNZHIYKJB-GFCCVEGCSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427396226 1070504299 /nfs/dbraw/zinc/50/42/99/1070504299.db2.gz RWZPLGNZHIYKJB-LBPRGKRZSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427396226 1070504290 /nfs/dbraw/zinc/50/42/90/1070504290.db2.gz RWZPLGNZHIYKJB-LBPRGKRZSA-N 1 2 409.439 -0.046 20 0 HBADLO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427396243 1070504586 /nfs/dbraw/zinc/50/45/86/1070504586.db2.gz RZTQESUNBAMJBM-AWEZNQCLSA-N 1 2 412.512 -0.162 20 0 HBADLO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427396243 1070504575 /nfs/dbraw/zinc/50/45/75/1070504575.db2.gz RZTQESUNBAMJBM-AWEZNQCLSA-N 1 2 412.512 -0.162 20 0 HBADLO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427396244 1070504440 /nfs/dbraw/zinc/50/44/40/1070504440.db2.gz RZTQESUNBAMJBM-CQSZACIVSA-N 1 2 412.512 -0.162 20 0 HBADLO CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427396244 1070504426 /nfs/dbraw/zinc/50/44/26/1070504426.db2.gz RZTQESUNBAMJBM-CQSZACIVSA-N 1 2 412.512 -0.162 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427397651 1070504822 /nfs/dbraw/zinc/50/48/22/1070504822.db2.gz HULFWWUEUOIIGY-INIZCTEOSA-N 1 2 418.494 -0.449 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427397651 1070504819 /nfs/dbraw/zinc/50/48/19/1070504819.db2.gz HULFWWUEUOIIGY-INIZCTEOSA-N 1 2 418.494 -0.449 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC[N@H+]1CCO ZINC000427397654 1070505400 /nfs/dbraw/zinc/50/54/00/1070505400.db2.gz HULFWWUEUOIIGY-MRXNPFEDSA-N 1 2 418.494 -0.449 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC[N@@H+]1CCO ZINC000427397654 1070505393 /nfs/dbraw/zinc/50/53/93/1070505393.db2.gz HULFWWUEUOIIGY-MRXNPFEDSA-N 1 2 418.494 -0.449 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC[N@H+]1CCO ZINC000427398305 1070505343 /nfs/dbraw/zinc/50/53/43/1070505343.db2.gz JIVODSCOBWTVBR-JTQLQIEISA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC[N@@H+]1CCO ZINC000427398305 1070505340 /nfs/dbraw/zinc/50/53/40/1070505340.db2.gz JIVODSCOBWTVBR-JTQLQIEISA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC[N@H+]1CCO ZINC000427398312 1070505379 /nfs/dbraw/zinc/50/53/79/1070505379.db2.gz JIVODSCOBWTVBR-SNVBAGLBSA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC[N@@H+]1CCO ZINC000427398312 1070505371 /nfs/dbraw/zinc/50/53/71/1070505371.db2.gz JIVODSCOBWTVBR-SNVBAGLBSA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC[N@H+]1CCO ZINC000427400399 1070505467 /nfs/dbraw/zinc/50/54/67/1070505467.db2.gz QTMKRYCLKAOZLZ-CYBMUJFWSA-N 1 2 406.874 0.443 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC[N@@H+]1CCO ZINC000427400399 1070505457 /nfs/dbraw/zinc/50/54/57/1070505457.db2.gz QTMKRYCLKAOZLZ-CYBMUJFWSA-N 1 2 406.874 0.443 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC[N@H+]1CCO ZINC000427400400 1070505288 /nfs/dbraw/zinc/50/52/88/1070505288.db2.gz QTMKRYCLKAOZLZ-ZDUSSCGKSA-N 1 2 406.874 0.443 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC[N@@H+]1CCO ZINC000427400400 1070505279 /nfs/dbraw/zinc/50/52/79/1070505279.db2.gz QTMKRYCLKAOZLZ-ZDUSSCGKSA-N 1 2 406.874 0.443 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC[N@H+]1CCO ZINC000427402426 1070505941 /nfs/dbraw/zinc/50/59/41/1070505941.db2.gz CMXAQWVJAKQFHA-HNNXBMFYSA-N 1 2 417.510 -0.148 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC[N@@H+]1CCO ZINC000427402426 1070505937 /nfs/dbraw/zinc/50/59/37/1070505937.db2.gz CMXAQWVJAKQFHA-HNNXBMFYSA-N 1 2 417.510 -0.148 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC[N@H+]1CCO ZINC000427402430 1070506136 /nfs/dbraw/zinc/50/61/36/1070506136.db2.gz CMXAQWVJAKQFHA-OAHLLOKOSA-N 1 2 417.510 -0.148 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC[N@@H+]1CCO ZINC000427402430 1070506125 /nfs/dbraw/zinc/50/61/25/1070506125.db2.gz CMXAQWVJAKQFHA-OAHLLOKOSA-N 1 2 417.510 -0.148 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000427402791 1070506305 /nfs/dbraw/zinc/50/63/05/1070506305.db2.gz FSODCWNXAPBUAJ-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000427402791 1070506292 /nfs/dbraw/zinc/50/62/92/1070506292.db2.gz FSODCWNXAPBUAJ-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC[N@H+]1CCO ZINC000427402792 1070506106 /nfs/dbraw/zinc/50/61/06/1070506106.db2.gz FSODCWNXAPBUAJ-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC[N@@H+]1CCO ZINC000427402792 1070506094 /nfs/dbraw/zinc/50/60/94/1070506094.db2.gz FSODCWNXAPBUAJ-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC[N@H+]1CCO ZINC000427402962 1070505996 /nfs/dbraw/zinc/50/59/96/1070505996.db2.gz GIYLBEKISRUICM-GFCCVEGCSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC[N@@H+]1CCO ZINC000427402962 1070505990 /nfs/dbraw/zinc/50/59/90/1070505990.db2.gz GIYLBEKISRUICM-GFCCVEGCSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC[N@H+]1CCO ZINC000427402963 1070506199 /nfs/dbraw/zinc/50/61/99/1070506199.db2.gz GIYLBEKISRUICM-LBPRGKRZSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC[N@@H+]1CCO ZINC000427402963 1070506188 /nfs/dbraw/zinc/50/61/88/1070506188.db2.gz GIYLBEKISRUICM-LBPRGKRZSA-N 1 2 401.460 -0.166 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427403052 1070506168 /nfs/dbraw/zinc/50/61/68/1070506168.db2.gz FFIHATFOFQGETL-AWEZNQCLSA-N 1 2 412.512 -0.291 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427403052 1070506156 /nfs/dbraw/zinc/50/61/56/1070506156.db2.gz FFIHATFOFQGETL-AWEZNQCLSA-N 1 2 412.512 -0.291 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427403053 1070505974 /nfs/dbraw/zinc/50/59/74/1070505974.db2.gz FFIHATFOFQGETL-CQSZACIVSA-N 1 2 412.512 -0.291 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000427403053 1070505968 /nfs/dbraw/zinc/50/59/68/1070505968.db2.gz FFIHATFOFQGETL-CQSZACIVSA-N 1 2 412.512 -0.291 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC[N@H+]1CCO ZINC000427403083 1070506341 /nfs/dbraw/zinc/50/63/41/1070506341.db2.gz FKNRFZRAFRFQDX-GFCCVEGCSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC[N@@H+]1CCO ZINC000427403083 1070506329 /nfs/dbraw/zinc/50/63/29/1070506329.db2.gz FKNRFZRAFRFQDX-GFCCVEGCSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC[N@H+]1CCO ZINC000427403084 1070506247 /nfs/dbraw/zinc/50/62/47/1070506247.db2.gz FKNRFZRAFRFQDX-LBPRGKRZSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC[N@@H+]1CCO ZINC000427403084 1070506234 /nfs/dbraw/zinc/50/62/34/1070506234.db2.gz FKNRFZRAFRFQDX-LBPRGKRZSA-N 1 2 401.460 -0.166 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(OC)c(OC)c1 ZINC000427403374 1070506067 /nfs/dbraw/zinc/50/60/67/1070506067.db2.gz HYXNQKFDNNQCHP-GFCCVEGCSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(OC)c(OC)c1 ZINC000427403374 1070506053 /nfs/dbraw/zinc/50/60/53/1070506053.db2.gz HYXNQKFDNNQCHP-GFCCVEGCSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(OC)c(OC)c1 ZINC000427403375 1070505886 /nfs/dbraw/zinc/50/58/86/1070505886.db2.gz HYXNQKFDNNQCHP-LBPRGKRZSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(OC)c(OC)c1 ZINC000427403375 1070505882 /nfs/dbraw/zinc/50/58/82/1070505882.db2.gz HYXNQKFDNNQCHP-LBPRGKRZSA-N 1 2 409.439 -0.046 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@H+]1CCO ZINC000427403555 1070505919 /nfs/dbraw/zinc/50/59/19/1070505919.db2.gz IQANXOMJIVCCFN-CYBMUJFWSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@@H+]1CCO ZINC000427403555 1070505915 /nfs/dbraw/zinc/50/59/15/1070505915.db2.gz IQANXOMJIVCCFN-CYBMUJFWSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@H+]1CCO ZINC000427403556 1070506016 /nfs/dbraw/zinc/50/60/16/1070506016.db2.gz IQANXOMJIVCCFN-ZDUSSCGKSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@@H+]1CCO ZINC000427403556 1070506009 /nfs/dbraw/zinc/50/60/09/1070506009.db2.gz IQANXOMJIVCCFN-ZDUSSCGKSA-N 1 2 410.496 -0.409 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1N1CCCS1(=O)=O ZINC000427403599 1070505928 /nfs/dbraw/zinc/50/59/28/1070505928.db2.gz JFOGWPHUMVJTSP-HNNXBMFYSA-N 1 2 424.523 -0.002 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1N1CCCS1(=O)=O ZINC000427403599 1070505924 /nfs/dbraw/zinc/50/59/24/1070505924.db2.gz JFOGWPHUMVJTSP-HNNXBMFYSA-N 1 2 424.523 -0.002 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1N1CCCS1(=O)=O ZINC000427403600 1070505904 /nfs/dbraw/zinc/50/59/04/1070505904.db2.gz JFOGWPHUMVJTSP-OAHLLOKOSA-N 1 2 424.523 -0.002 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1N1CCCS1(=O)=O ZINC000427403600 1070505900 /nfs/dbraw/zinc/50/59/00/1070505900.db2.gz JFOGWPHUMVJTSP-OAHLLOKOSA-N 1 2 424.523 -0.002 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC[N@H+]1CCO ZINC000427404420 1070507813 /nfs/dbraw/zinc/50/78/13/1070507813.db2.gz MUXDNIOBFNUSKQ-HNNXBMFYSA-N 1 2 424.523 -0.615 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC[N@@H+]1CCO ZINC000427404420 1070507802 /nfs/dbraw/zinc/50/78/02/1070507802.db2.gz MUXDNIOBFNUSKQ-HNNXBMFYSA-N 1 2 424.523 -0.615 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC[N@H+]1CCO ZINC000427404422 1070507580 /nfs/dbraw/zinc/50/75/80/1070507580.db2.gz MUXDNIOBFNUSKQ-OAHLLOKOSA-N 1 2 424.523 -0.615 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC[N@@H+]1CCO ZINC000427404422 1070507564 /nfs/dbraw/zinc/50/75/64/1070507564.db2.gz MUXDNIOBFNUSKQ-OAHLLOKOSA-N 1 2 424.523 -0.615 20 0 HBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427404724 1070506036 /nfs/dbraw/zinc/50/60/36/1070506036.db2.gz NUSRNBPSEPPOPL-AWEZNQCLSA-N 1 2 414.466 -0.257 20 0 HBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427404724 1070506029 /nfs/dbraw/zinc/50/60/29/1070506029.db2.gz NUSRNBPSEPPOPL-AWEZNQCLSA-N 1 2 414.466 -0.257 20 0 HBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427404726 1070505958 /nfs/dbraw/zinc/50/59/58/1070505958.db2.gz NUSRNBPSEPPOPL-CQSZACIVSA-N 1 2 414.466 -0.257 20 0 HBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427404726 1070505954 /nfs/dbraw/zinc/50/59/54/1070505954.db2.gz NUSRNBPSEPPOPL-CQSZACIVSA-N 1 2 414.466 -0.257 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC[N@H+]1CCO ZINC000427405222 1070507953 /nfs/dbraw/zinc/50/79/53/1070507953.db2.gz PKLODEXPFDXDIS-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000427405222 1070507948 /nfs/dbraw/zinc/50/79/48/1070507948.db2.gz PKLODEXPFDXDIS-HNNXBMFYSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC[N@H+]1CCO ZINC000427405223 1070507497 /nfs/dbraw/zinc/50/74/97/1070507497.db2.gz PKLODEXPFDXDIS-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC[N@@H+]1CCO ZINC000427405223 1070507489 /nfs/dbraw/zinc/50/74/89/1070507489.db2.gz PKLODEXPFDXDIS-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000427405247 1070507539 /nfs/dbraw/zinc/50/75/39/1070507539.db2.gz PQFRRPUECMKHSO-GFCCVEGCSA-N 1 2 405.484 -0.152 20 0 HBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000427405247 1070507527 /nfs/dbraw/zinc/50/75/27/1070507527.db2.gz PQFRRPUECMKHSO-GFCCVEGCSA-N 1 2 405.484 -0.152 20 0 HBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000427405248 1070507777 /nfs/dbraw/zinc/50/77/77/1070507777.db2.gz PQFRRPUECMKHSO-LBPRGKRZSA-N 1 2 405.484 -0.152 20 0 HBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000427405248 1070507765 /nfs/dbraw/zinc/50/77/65/1070507765.db2.gz PQFRRPUECMKHSO-LBPRGKRZSA-N 1 2 405.484 -0.152 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1C(=O)OC ZINC000427407550 1070507897 /nfs/dbraw/zinc/50/78/97/1070507897.db2.gz SGSGYLBOXGXHID-GFCCVEGCSA-N 1 2 407.423 -0.277 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1C(=O)OC ZINC000427407550 1070507889 /nfs/dbraw/zinc/50/78/89/1070507889.db2.gz SGSGYLBOXGXHID-GFCCVEGCSA-N 1 2 407.423 -0.277 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1C(=O)OC ZINC000427407551 1070508588 /nfs/dbraw/zinc/50/85/88/1070508588.db2.gz SGSGYLBOXGXHID-LBPRGKRZSA-N 1 2 407.423 -0.277 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1C(=O)OC ZINC000427407551 1070508579 /nfs/dbraw/zinc/50/85/79/1070508579.db2.gz SGSGYLBOXGXHID-LBPRGKRZSA-N 1 2 407.423 -0.277 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(OCC(=O)N(C)C)c1 ZINC000427407896 1070508388 /nfs/dbraw/zinc/50/83/88/1070508388.db2.gz YUHQBDXWIFNJIX-HNNXBMFYSA-N 1 2 406.483 -0.074 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(OCC(=O)N(C)C)c1 ZINC000427407896 1070508375 /nfs/dbraw/zinc/50/83/75/1070508375.db2.gz YUHQBDXWIFNJIX-HNNXBMFYSA-N 1 2 406.483 -0.074 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(OCC(=O)N(C)C)c1 ZINC000427407898 1070508452 /nfs/dbraw/zinc/50/84/52/1070508452.db2.gz YUHQBDXWIFNJIX-OAHLLOKOSA-N 1 2 406.483 -0.074 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(OCC(=O)N(C)C)c1 ZINC000427407898 1070508438 /nfs/dbraw/zinc/50/84/38/1070508438.db2.gz YUHQBDXWIFNJIX-OAHLLOKOSA-N 1 2 406.483 -0.074 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCN1CCO ZINC000427408060 1070508416 /nfs/dbraw/zinc/50/84/16/1070508416.db2.gz NPYSHASOUWATBU-INIZCTEOSA-N 1 2 417.510 -0.462 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCN1CCO ZINC000427408061 1070508677 /nfs/dbraw/zinc/50/86/77/1070508677.db2.gz NPYSHASOUWATBU-MRXNPFEDSA-N 1 2 417.510 -0.462 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427408076 1070508626 /nfs/dbraw/zinc/50/86/26/1070508626.db2.gz NTWUGKVEJSPKBD-AWEZNQCLSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427408076 1070508619 /nfs/dbraw/zinc/50/86/19/1070508619.db2.gz NTWUGKVEJSPKBD-AWEZNQCLSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427408077 1070508335 /nfs/dbraw/zinc/50/83/35/1070508335.db2.gz NTWUGKVEJSPKBD-CQSZACIVSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1S(=O)(=O)NC1CC1 ZINC000427408077 1070508324 /nfs/dbraw/zinc/50/83/24/1070508324.db2.gz NTWUGKVEJSPKBD-CQSZACIVSA-N 1 2 424.523 -0.101 20 0 HBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427408248 1070508567 /nfs/dbraw/zinc/50/85/67/1070508567.db2.gz UWJFLGWCSSSGNT-AWEZNQCLSA-N 1 2 413.496 -0.430 20 0 HBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427408248 1070508560 /nfs/dbraw/zinc/50/85/60/1070508560.db2.gz UWJFLGWCSSSGNT-AWEZNQCLSA-N 1 2 413.496 -0.430 20 0 HBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427408249 1070508653 /nfs/dbraw/zinc/50/86/53/1070508653.db2.gz UWJFLGWCSSSGNT-CQSZACIVSA-N 1 2 413.496 -0.430 20 0 HBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427408249 1070508651 /nfs/dbraw/zinc/50/86/51/1070508651.db2.gz UWJFLGWCSSSGNT-CQSZACIVSA-N 1 2 413.496 -0.430 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427410096 1070508506 /nfs/dbraw/zinc/50/85/06/1070508506.db2.gz ZSVTYNUFPRZAPB-AWEZNQCLSA-N 1 2 420.466 -0.557 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427410096 1070508495 /nfs/dbraw/zinc/50/84/95/1070508495.db2.gz ZSVTYNUFPRZAPB-AWEZNQCLSA-N 1 2 420.466 -0.557 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427410097 1070508668 /nfs/dbraw/zinc/50/86/68/1070508668.db2.gz ZSVTYNUFPRZAPB-CQSZACIVSA-N 1 2 420.466 -0.557 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427410097 1070508662 /nfs/dbraw/zinc/50/86/62/1070508662.db2.gz ZSVTYNUFPRZAPB-CQSZACIVSA-N 1 2 420.466 -0.557 20 0 HBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427410797 1070508541 /nfs/dbraw/zinc/50/85/41/1070508541.db2.gz CEGALMMOWOGPGW-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427410797 1070508531 /nfs/dbraw/zinc/50/85/31/1070508531.db2.gz CEGALMMOWOGPGW-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427410798 1070508608 /nfs/dbraw/zinc/50/86/08/1070508608.db2.gz CEGALMMOWOGPGW-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427410798 1070508601 /nfs/dbraw/zinc/50/86/01/1070508601.db2.gz CEGALMMOWOGPGW-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC[N@H+]1CCO ZINC000427411656 1070508293 /nfs/dbraw/zinc/50/82/93/1070508293.db2.gz CAKUVSRZZXBYLU-CYBMUJFWSA-N 1 2 403.439 -0.798 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC[N@@H+]1CCO ZINC000427411656 1070508277 /nfs/dbraw/zinc/50/82/77/1070508277.db2.gz CAKUVSRZZXBYLU-CYBMUJFWSA-N 1 2 403.439 -0.798 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC[N@H+]1CCO ZINC000427411657 1070508639 /nfs/dbraw/zinc/50/86/39/1070508639.db2.gz CAKUVSRZZXBYLU-ZDUSSCGKSA-N 1 2 403.439 -0.798 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC[N@@H+]1CCO ZINC000427411657 1070508634 /nfs/dbraw/zinc/50/86/34/1070508634.db2.gz CAKUVSRZZXBYLU-ZDUSSCGKSA-N 1 2 403.439 -0.798 20 0 HBADLO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427412015 1070509179 /nfs/dbraw/zinc/50/91/79/1070509179.db2.gz HGCBDLXDYZLIGY-CRAIPNDOSA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427412015 1070509170 /nfs/dbraw/zinc/50/91/70/1070509170.db2.gz HGCBDLXDYZLIGY-CRAIPNDOSA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427412018 1070509245 /nfs/dbraw/zinc/50/92/45/1070509245.db2.gz HGCBDLXDYZLIGY-MAUKXSAKSA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427412018 1070509238 /nfs/dbraw/zinc/50/92/38/1070509238.db2.gz HGCBDLXDYZLIGY-MAUKXSAKSA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427412020 1070509228 /nfs/dbraw/zinc/50/92/28/1070509228.db2.gz HGCBDLXDYZLIGY-QAPCUYQASA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c2ccccc2O1 ZINC000427412020 1070509223 /nfs/dbraw/zinc/50/92/23/1070509223.db2.gz HGCBDLXDYZLIGY-QAPCUYQASA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427412022 1070509334 /nfs/dbraw/zinc/50/93/34/1070509334.db2.gz HGCBDLXDYZLIGY-YJBOKZPZSA-N 1 2 418.494 -0.168 20 0 HBADLO CCCNC(=O)[C@@H]1CN(C(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c2ccccc2O1 ZINC000427412022 1070509330 /nfs/dbraw/zinc/50/93/30/1070509330.db2.gz HGCBDLXDYZLIGY-YJBOKZPZSA-N 1 2 418.494 -0.168 20 0 HBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427412027 1070509203 /nfs/dbraw/zinc/50/92/03/1070509203.db2.gz DPEZJIIADVRHEG-CYBMUJFWSA-N 1 2 406.439 -0.947 20 0 HBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427412027 1070509197 /nfs/dbraw/zinc/50/91/97/1070509197.db2.gz DPEZJIIADVRHEG-CYBMUJFWSA-N 1 2 406.439 -0.947 20 0 HBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427412029 1070509285 /nfs/dbraw/zinc/50/92/85/1070509285.db2.gz DPEZJIIADVRHEG-ZDUSSCGKSA-N 1 2 406.439 -0.947 20 0 HBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427412029 1070509281 /nfs/dbraw/zinc/50/92/81/1070509281.db2.gz DPEZJIIADVRHEG-ZDUSSCGKSA-N 1 2 406.439 -0.947 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@H+]1CCO ZINC000427413085 1070509271 /nfs/dbraw/zinc/50/92/71/1070509271.db2.gz LFCBTWLXOQGRIG-AWEZNQCLSA-N 1 2 422.457 -0.238 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@@H+]1CCO ZINC000427413085 1070509268 /nfs/dbraw/zinc/50/92/68/1070509268.db2.gz LFCBTWLXOQGRIG-AWEZNQCLSA-N 1 2 422.457 -0.238 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@H+]1CCO ZINC000427413086 1070509142 /nfs/dbraw/zinc/50/91/42/1070509142.db2.gz LFCBTWLXOQGRIG-CQSZACIVSA-N 1 2 422.457 -0.238 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC[N@@H+]1CCO ZINC000427413086 1070509130 /nfs/dbraw/zinc/50/91/30/1070509130.db2.gz LFCBTWLXOQGRIG-CQSZACIVSA-N 1 2 422.457 -0.238 20 0 HBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)n2)cc1 ZINC000427414445 1070509258 /nfs/dbraw/zinc/50/92/58/1070509258.db2.gz PGYNLPCOBLENIC-HNNXBMFYSA-N 1 2 401.467 0.404 20 0 HBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)n2)cc1 ZINC000427414445 1070509256 /nfs/dbraw/zinc/50/92/56/1070509256.db2.gz PGYNLPCOBLENIC-HNNXBMFYSA-N 1 2 401.467 0.404 20 0 HBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)n2)cc1 ZINC000427414448 1070509103 /nfs/dbraw/zinc/50/91/03/1070509103.db2.gz PGYNLPCOBLENIC-OAHLLOKOSA-N 1 2 401.467 0.404 20 0 HBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)n2)cc1 ZINC000427414448 1070509091 /nfs/dbraw/zinc/50/90/91/1070509091.db2.gz PGYNLPCOBLENIC-OAHLLOKOSA-N 1 2 401.467 0.404 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC[N@H+]1CCO ZINC000427416695 1070509347 /nfs/dbraw/zinc/50/93/47/1070509347.db2.gz VSWLJONUAVBDCW-AWEZNQCLSA-N 1 2 424.523 -0.532 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC[N@@H+]1CCO ZINC000427416695 1070509345 /nfs/dbraw/zinc/50/93/45/1070509345.db2.gz VSWLJONUAVBDCW-AWEZNQCLSA-N 1 2 424.523 -0.532 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC[N@H+]1CCO ZINC000427416697 1070509043 /nfs/dbraw/zinc/50/90/43/1070509043.db2.gz VSWLJONUAVBDCW-CQSZACIVSA-N 1 2 424.523 -0.532 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC[N@@H+]1CCO ZINC000427416697 1070509026 /nfs/dbraw/zinc/50/90/26/1070509026.db2.gz VSWLJONUAVBDCW-CQSZACIVSA-N 1 2 424.523 -0.532 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC[N@H+]1CCO ZINC000427417883 1070507699 /nfs/dbraw/zinc/50/76/99/1070507699.db2.gz XDZAZZLHTPUIFN-AWEZNQCLSA-N 1 2 406.487 -0.595 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC[N@@H+]1CCO ZINC000427417883 1070507683 /nfs/dbraw/zinc/50/76/83/1070507683.db2.gz XDZAZZLHTPUIFN-AWEZNQCLSA-N 1 2 406.487 -0.595 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC[N@H+]1CCO ZINC000427417884 1070507915 /nfs/dbraw/zinc/50/79/15/1070507915.db2.gz XDZAZZLHTPUIFN-CQSZACIVSA-N 1 2 406.487 -0.595 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC[N@@H+]1CCO ZINC000427417884 1070507910 /nfs/dbraw/zinc/50/79/10/1070507910.db2.gz XDZAZZLHTPUIFN-CQSZACIVSA-N 1 2 406.487 -0.595 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427418892 1070507937 /nfs/dbraw/zinc/50/79/37/1070507937.db2.gz CVMGCEIFBALIMN-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427418892 1070507932 /nfs/dbraw/zinc/50/79/32/1070507932.db2.gz CVMGCEIFBALIMN-INIZCTEOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427418893 1070507628 /nfs/dbraw/zinc/50/76/28/1070507628.db2.gz CVMGCEIFBALIMN-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427418893 1070507614 /nfs/dbraw/zinc/50/76/14/1070507614.db2.gz CVMGCEIFBALIMN-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC[N@H+]1CCO ZINC000427420772 1070509712 /nfs/dbraw/zinc/50/97/12/1070509712.db2.gz MRLFSVCXNWBEOF-AWEZNQCLSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427420772 1070509704 /nfs/dbraw/zinc/50/97/04/1070509704.db2.gz MRLFSVCXNWBEOF-AWEZNQCLSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC[N@H+]1CCO ZINC000427420773 1070510088 /nfs/dbraw/zinc/51/00/88/1070510088.db2.gz MRLFSVCXNWBEOF-CQSZACIVSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1CCO ZINC000427420773 1070510080 /nfs/dbraw/zinc/51/00/80/1070510080.db2.gz MRLFSVCXNWBEOF-CQSZACIVSA-N 1 2 410.496 -0.310 20 0 HBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)ccc21 ZINC000427421143 1070510173 /nfs/dbraw/zinc/51/01/73/1070510173.db2.gz ONDUBDPFSGREHX-AWEZNQCLSA-N 1 2 404.467 -0.314 20 0 HBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)ccc21 ZINC000427421143 1070510165 /nfs/dbraw/zinc/51/01/65/1070510165.db2.gz ONDUBDPFSGREHX-AWEZNQCLSA-N 1 2 404.467 -0.314 20 0 HBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)ccc21 ZINC000427421144 1070510194 /nfs/dbraw/zinc/51/01/94/1070510194.db2.gz ONDUBDPFSGREHX-CQSZACIVSA-N 1 2 404.467 -0.314 20 0 HBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)ccc21 ZINC000427421144 1070510186 /nfs/dbraw/zinc/51/01/86/1070510186.db2.gz ONDUBDPFSGREHX-CQSZACIVSA-N 1 2 404.467 -0.314 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1C(=O)N1CCOCC1 ZINC000427421337 1070510214 /nfs/dbraw/zinc/51/02/14/1070510214.db2.gz PKMGAQHLLIRFRA-HNNXBMFYSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1C(=O)N1CCOCC1 ZINC000427421337 1070510206 /nfs/dbraw/zinc/51/02/06/1070510206.db2.gz PKMGAQHLLIRFRA-HNNXBMFYSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1C(=O)N1CCOCC1 ZINC000427421338 1070509817 /nfs/dbraw/zinc/50/98/17/1070509817.db2.gz PKMGAQHLLIRFRA-OAHLLOKOSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1C(=O)N1CCOCC1 ZINC000427421338 1070509800 /nfs/dbraw/zinc/50/98/00/1070509800.db2.gz PKMGAQHLLIRFRA-OAHLLOKOSA-N 1 2 418.494 -0.069 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC[N@H+]1CCO ZINC000427421613 1070510232 /nfs/dbraw/zinc/51/02/32/1070510232.db2.gz QTHTZJCDZUUTGS-JTQLQIEISA-N 1 2 405.423 -0.168 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC[N@@H+]1CCO ZINC000427421613 1070510225 /nfs/dbraw/zinc/51/02/25/1070510225.db2.gz QTHTZJCDZUUTGS-JTQLQIEISA-N 1 2 405.423 -0.168 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC[N@H+]1CCO ZINC000427421614 1070510116 /nfs/dbraw/zinc/51/01/16/1070510116.db2.gz QTHTZJCDZUUTGS-SNVBAGLBSA-N 1 2 405.423 -0.168 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC[N@@H+]1CCO ZINC000427421614 1070510108 /nfs/dbraw/zinc/51/01/08/1070510108.db2.gz QTHTZJCDZUUTGS-SNVBAGLBSA-N 1 2 405.423 -0.168 20 0 HBADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000427422461 1068770984 /nfs/dbraw/zinc/77/09/84/1068770984.db2.gz VPKXLIJGNSPYFG-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000427422461 1068770975 /nfs/dbraw/zinc/77/09/75/1068770975.db2.gz VPKXLIJGNSPYFG-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000427422462 1068771037 /nfs/dbraw/zinc/77/10/37/1068771037.db2.gz VPKXLIJGNSPYFG-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000427422462 1068771035 /nfs/dbraw/zinc/77/10/35/1068771035.db2.gz VPKXLIJGNSPYFG-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000427426238 1070509909 /nfs/dbraw/zinc/50/99/09/1070509909.db2.gz AYBWNEHPINBRPN-AWEZNQCLSA-N 1 2 401.467 -0.052 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000427426238 1070509896 /nfs/dbraw/zinc/50/98/96/1070509896.db2.gz AYBWNEHPINBRPN-AWEZNQCLSA-N 1 2 401.467 -0.052 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000427426239 1070510863 /nfs/dbraw/zinc/51/08/63/1070510863.db2.gz AYBWNEHPINBRPN-CQSZACIVSA-N 1 2 401.467 -0.052 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(=O)n(-c2ccccc2)n1C ZINC000427426239 1070510855 /nfs/dbraw/zinc/51/08/55/1070510855.db2.gz AYBWNEHPINBRPN-CQSZACIVSA-N 1 2 401.467 -0.052 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC[N@H+]1CCO ZINC000427427503 1070510766 /nfs/dbraw/zinc/51/07/66/1070510766.db2.gz IWCKTWWWRINSPZ-DZGCQCFKSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC[N@@H+]1CCO ZINC000427427503 1070510756 /nfs/dbraw/zinc/51/07/56/1070510756.db2.gz IWCKTWWWRINSPZ-DZGCQCFKSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC[N@H+]1CCO ZINC000427427507 1070510914 /nfs/dbraw/zinc/51/09/14/1070510914.db2.gz IWCKTWWWRINSPZ-HIFRSBDPSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC[N@@H+]1CCO ZINC000427427507 1070510906 /nfs/dbraw/zinc/51/09/06/1070510906.db2.gz IWCKTWWWRINSPZ-HIFRSBDPSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC[N@H+]1CCO ZINC000427427508 1070510661 /nfs/dbraw/zinc/51/06/61/1070510661.db2.gz IWCKTWWWRINSPZ-UKRRQHHQSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC[N@@H+]1CCO ZINC000427427508 1070510650 /nfs/dbraw/zinc/51/06/50/1070510650.db2.gz IWCKTWWWRINSPZ-UKRRQHHQSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC[N@H+]1CCO ZINC000427427509 1070510735 /nfs/dbraw/zinc/51/07/35/1070510735.db2.gz IWCKTWWWRINSPZ-ZFWWWQNUSA-N 1 2 402.451 -0.645 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC[N@@H+]1CCO ZINC000427427509 1070510727 /nfs/dbraw/zinc/51/07/27/1070510727.db2.gz IWCKTWWWRINSPZ-ZFWWWQNUSA-N 1 2 402.451 -0.645 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1NS(C)(=O)=O ZINC000427429849 1070510034 /nfs/dbraw/zinc/51/00/34/1070510034.db2.gz VTYMOPCXQNWJJT-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1NS(C)(=O)=O ZINC000427429849 1070510031 /nfs/dbraw/zinc/51/00/31/1070510031.db2.gz VTYMOPCXQNWJJT-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000427429850 1070510054 /nfs/dbraw/zinc/51/00/54/1070510054.db2.gz VTYMOPCXQNWJJT-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1NS(C)(=O)=O ZINC000427429850 1070510047 /nfs/dbraw/zinc/51/00/47/1070510047.db2.gz VTYMOPCXQNWJJT-LBPRGKRZSA-N 1 2 414.484 -0.470 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC[N@H+]1CCO ZINC000427433179 1070511526 /nfs/dbraw/zinc/51/15/26/1070511526.db2.gz ACSPWHUIVPBRQY-AWEZNQCLSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC[N@@H+]1CCO ZINC000427433179 1070511519 /nfs/dbraw/zinc/51/15/19/1070511519.db2.gz ACSPWHUIVPBRQY-AWEZNQCLSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC[N@H+]1CCO ZINC000427433180 1068761718 /nfs/dbraw/zinc/76/17/18/1068761718.db2.gz ACSPWHUIVPBRQY-CQSZACIVSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC[N@@H+]1CCO ZINC000427433180 1068761707 /nfs/dbraw/zinc/76/17/07/1068761707.db2.gz ACSPWHUIVPBRQY-CQSZACIVSA-N 1 2 402.451 -0.201 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cccc1S(=O)(=O)NC1CC1 ZINC000427434722 1070511320 /nfs/dbraw/zinc/51/13/20/1070511320.db2.gz KTUGWXKGRDKQOQ-CYBMUJFWSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cccc1S(=O)(=O)NC1CC1 ZINC000427434722 1070511317 /nfs/dbraw/zinc/51/13/17/1070511317.db2.gz KTUGWXKGRDKQOQ-CYBMUJFWSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cccc1S(=O)(=O)NC1CC1 ZINC000427434724 1070511457 /nfs/dbraw/zinc/51/14/57/1070511457.db2.gz KTUGWXKGRDKQOQ-ZDUSSCGKSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cccc1S(=O)(=O)NC1CC1 ZINC000427434724 1070511451 /nfs/dbraw/zinc/51/14/51/1070511451.db2.gz KTUGWXKGRDKQOQ-ZDUSSCGKSA-N 1 2 424.523 -0.101 20 0 HBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc21 ZINC000427435066 1070511899 /nfs/dbraw/zinc/51/18/99/1070511899.db2.gz LCGGHZGEVAOUTG-AWEZNQCLSA-N 1 2 401.467 -0.149 20 0 HBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc21 ZINC000427435066 1070511892 /nfs/dbraw/zinc/51/18/92/1070511892.db2.gz LCGGHZGEVAOUTG-AWEZNQCLSA-N 1 2 401.467 -0.149 20 0 HBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc21 ZINC000427435067 1070512208 /nfs/dbraw/zinc/51/22/08/1070512208.db2.gz LCGGHZGEVAOUTG-CQSZACIVSA-N 1 2 401.467 -0.149 20 0 HBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc21 ZINC000427435067 1070512198 /nfs/dbraw/zinc/51/21/98/1070512198.db2.gz LCGGHZGEVAOUTG-CQSZACIVSA-N 1 2 401.467 -0.149 20 0 HBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)CC2 ZINC000427436544 1070512237 /nfs/dbraw/zinc/51/22/37/1070512237.db2.gz SEYVJYPDPVZZCB-CYBMUJFWSA-N 1 2 410.496 -0.991 20 0 HBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1)CC2 ZINC000427436544 1070512226 /nfs/dbraw/zinc/51/22/26/1070512226.db2.gz SEYVJYPDPVZZCB-CYBMUJFWSA-N 1 2 410.496 -0.991 20 0 HBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)CC2 ZINC000427436545 1070511975 /nfs/dbraw/zinc/51/19/75/1070511975.db2.gz SEYVJYPDPVZZCB-ZDUSSCGKSA-N 1 2 410.496 -0.991 20 0 HBADLO CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)CC2 ZINC000427436545 1070511963 /nfs/dbraw/zinc/51/19/63/1070511963.db2.gz SEYVJYPDPVZZCB-ZDUSSCGKSA-N 1 2 410.496 -0.991 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC[N@H+]1CCO ZINC000427437313 1068762567 /nfs/dbraw/zinc/76/25/67/1068762567.db2.gz XWPRYUGRVVMXLC-JTQLQIEISA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC[N@@H+]1CCO ZINC000427437313 1068762564 /nfs/dbraw/zinc/76/25/64/1068762564.db2.gz XWPRYUGRVVMXLC-JTQLQIEISA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC[N@H+]1CCO ZINC000427437315 1070511936 /nfs/dbraw/zinc/51/19/36/1070511936.db2.gz XWPRYUGRVVMXLC-SNVBAGLBSA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)CC[N@@H+]1CCO ZINC000427437315 1070511927 /nfs/dbraw/zinc/51/19/27/1070511927.db2.gz XWPRYUGRVVMXLC-SNVBAGLBSA-N 1 2 401.261 -0.389 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC[N@H+]1CCO ZINC000427438157 1070512350 /nfs/dbraw/zinc/51/23/50/1070512350.db2.gz CXDYASBYEHDPOL-AWEZNQCLSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC[N@@H+]1CCO ZINC000427438157 1070512339 /nfs/dbraw/zinc/51/23/39/1070512339.db2.gz CXDYASBYEHDPOL-AWEZNQCLSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC[N@H+]1CCO ZINC000427438158 1070512008 /nfs/dbraw/zinc/51/20/08/1070512008.db2.gz CXDYASBYEHDPOL-CQSZACIVSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC[N@@H+]1CCO ZINC000427438158 1070511999 /nfs/dbraw/zinc/51/19/99/1070511999.db2.gz CXDYASBYEHDPOL-CQSZACIVSA-N 1 2 402.451 -0.201 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1CCO ZINC000427438629 1070513201 /nfs/dbraw/zinc/51/32/01/1070513201.db2.gz IFDKJIRNCKXJTF-AWEZNQCLSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1CCO ZINC000427438629 1070513188 /nfs/dbraw/zinc/51/31/88/1070513188.db2.gz IFDKJIRNCKXJTF-AWEZNQCLSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC[N@H+]1CCO ZINC000427438630 1070513098 /nfs/dbraw/zinc/51/30/98/1070513098.db2.gz IFDKJIRNCKXJTF-CQSZACIVSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC[N@@H+]1CCO ZINC000427438630 1070513084 /nfs/dbraw/zinc/51/30/84/1070513084.db2.gz IFDKJIRNCKXJTF-CQSZACIVSA-N 1 2 410.496 -0.310 20 0 HBADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)CC2 ZINC000427439261 1070512786 /nfs/dbraw/zinc/51/27/86/1070512786.db2.gz OSTRQFJMVJLTKI-AWEZNQCLSA-N 1 2 424.523 -0.601 20 0 HBADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)CC2 ZINC000427439261 1070512775 /nfs/dbraw/zinc/51/27/75/1070512775.db2.gz OSTRQFJMVJLTKI-AWEZNQCLSA-N 1 2 424.523 -0.601 20 0 HBADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)CC2 ZINC000427439262 1070512898 /nfs/dbraw/zinc/51/28/98/1070512898.db2.gz OSTRQFJMVJLTKI-CQSZACIVSA-N 1 2 424.523 -0.601 20 0 HBADLO CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CC[N@H+](CCO)[C@H](C)C1)CC2 ZINC000427439262 1070512888 /nfs/dbraw/zinc/51/28/88/1070512888.db2.gz OSTRQFJMVJLTKI-CQSZACIVSA-N 1 2 424.523 -0.601 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC[N@H+]1CCO ZINC000427439737 1070513172 /nfs/dbraw/zinc/51/31/72/1070513172.db2.gz UAIXRDZDSHTTOE-GFCCVEGCSA-N 1 2 416.475 -0.461 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC[N@@H+]1CCO ZINC000427439737 1070513164 /nfs/dbraw/zinc/51/31/64/1070513164.db2.gz UAIXRDZDSHTTOE-GFCCVEGCSA-N 1 2 416.475 -0.461 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC[N@H+]1CCO ZINC000427439738 1070512812 /nfs/dbraw/zinc/51/28/12/1070512812.db2.gz UAIXRDZDSHTTOE-LBPRGKRZSA-N 1 2 416.475 -0.461 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC[N@@H+]1CCO ZINC000427439738 1070512802 /nfs/dbraw/zinc/51/28/02/1070512802.db2.gz UAIXRDZDSHTTOE-LBPRGKRZSA-N 1 2 416.475 -0.461 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000427442462 1070512752 /nfs/dbraw/zinc/51/27/52/1070512752.db2.gz PPRLFKWZBVAQIR-AWEZNQCLSA-N 1 2 412.512 -0.163 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1 ZINC000427442462 1070512748 /nfs/dbraw/zinc/51/27/48/1070512748.db2.gz PPRLFKWZBVAQIR-AWEZNQCLSA-N 1 2 412.512 -0.163 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1 ZINC000427442463 1070513057 /nfs/dbraw/zinc/51/30/57/1070513057.db2.gz PPRLFKWZBVAQIR-CQSZACIVSA-N 1 2 412.512 -0.163 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1 ZINC000427442463 1070513044 /nfs/dbraw/zinc/51/30/44/1070513044.db2.gz PPRLFKWZBVAQIR-CQSZACIVSA-N 1 2 412.512 -0.163 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[N@H+]1CCO ZINC000427442543 1070512841 /nfs/dbraw/zinc/51/28/41/1070512841.db2.gz GZUQYRFIFUDDCB-HNNXBMFYSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[N@@H+]1CCO ZINC000427442543 1070512833 /nfs/dbraw/zinc/51/28/33/1070512833.db2.gz GZUQYRFIFUDDCB-HNNXBMFYSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[N@H+]1CCO ZINC000427442545 1070513014 /nfs/dbraw/zinc/51/30/14/1070513014.db2.gz GZUQYRFIFUDDCB-OAHLLOKOSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC[N@@H+]1CCO ZINC000427442545 1070513005 /nfs/dbraw/zinc/51/30/05/1070513005.db2.gz GZUQYRFIFUDDCB-OAHLLOKOSA-N 1 2 424.523 -0.065 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1-n1nnnc1C ZINC000427443978 1070510811 /nfs/dbraw/zinc/51/08/11/1070510811.db2.gz XTMNIYZNJDGDBL-GFCCVEGCSA-N 1 2 403.443 -0.557 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1-n1nnnc1C ZINC000427443978 1070510804 /nfs/dbraw/zinc/51/08/04/1070510804.db2.gz XTMNIYZNJDGDBL-GFCCVEGCSA-N 1 2 403.443 -0.557 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1-n1nnnc1C ZINC000427443979 1070510562 /nfs/dbraw/zinc/51/05/62/1070510562.db2.gz XTMNIYZNJDGDBL-LBPRGKRZSA-N 1 2 403.443 -0.557 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1-n1nnnc1C ZINC000427443979 1070510546 /nfs/dbraw/zinc/51/05/46/1070510546.db2.gz XTMNIYZNJDGDBL-LBPRGKRZSA-N 1 2 403.443 -0.557 20 0 HBADLO CCn1cc(-c2n[nH]cc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000427448660 1070511440 /nfs/dbraw/zinc/51/14/40/1070511440.db2.gz BWIMMBUDXIOFRX-HNNXBMFYSA-N 1 2 401.471 -0.044 20 0 HBADLO CCn1cc(-c2n[nH]cc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000427448661 1070511353 /nfs/dbraw/zinc/51/13/53/1070511353.db2.gz BWIMMBUDXIOFRX-OAHLLOKOSA-N 1 2 401.471 -0.044 20 0 HBADLO CCn1cc(-c2nn(C)cc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000427449365 1070514302 /nfs/dbraw/zinc/51/43/02/1070514302.db2.gz NQNPGACVHIXDNK-INIZCTEOSA-N 1 2 415.498 -0.034 20 0 HBADLO CCn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000427449366 1070514379 /nfs/dbraw/zinc/51/43/79/1070514379.db2.gz NQNPGACVHIXDNK-MRXNPFEDSA-N 1 2 415.498 -0.034 20 0 HBADLO Cc1cnn(-c2c(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c(C)nn2C)c1 ZINC000427451278 1068763474 /nfs/dbraw/zinc/76/34/74/1068763474.db2.gz WOSIGKRXYPZFSR-INIZCTEOSA-N 1 2 415.498 -0.114 20 0 HBADLO Cc1cnn(-c2c(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c(C)nn2C)c1 ZINC000427451280 1070514788 /nfs/dbraw/zinc/51/47/88/1070514788.db2.gz WOSIGKRXYPZFSR-MRXNPFEDSA-N 1 2 415.498 -0.114 20 0 HBADLO Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427451761 1070514828 /nfs/dbraw/zinc/51/48/28/1070514828.db2.gz XSSAHNIWGNXZKR-HNNXBMFYSA-N 1 2 401.471 -0.423 20 0 HBADLO Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000427451764 1070514997 /nfs/dbraw/zinc/51/49/97/1070514997.db2.gz XSSAHNIWGNXZKR-OAHLLOKOSA-N 1 2 401.471 -0.423 20 0 HBADLO C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000427461943 1070516484 /nfs/dbraw/zinc/51/64/84/1070516484.db2.gz GFVAGCXADZFLRA-NRFANRHFSA-N 1 2 413.478 0.561 20 0 HBADLO C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000427461944 1070516558 /nfs/dbraw/zinc/51/65/58/1070516558.db2.gz GFVAGCXADZFLRA-OAQYLSRUSA-N 1 2 413.478 0.561 20 0 HBADLO O=C(CC(=O)NCC1CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000427508403 1070519965 /nfs/dbraw/zinc/51/99/65/1070519965.db2.gz ATWFZILVCBHJNE-UHFFFAOYSA-N 1 2 409.512 -0.434 20 0 HBADLO C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCNC1=O ZINC000427512436 1070522600 /nfs/dbraw/zinc/52/26/00/1070522600.db2.gz VHGKSPLNTJWYEQ-GOSISDBHSA-N 1 2 409.512 -0.434 20 0 HBADLO C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCNC1=O ZINC000427512437 1070522837 /nfs/dbraw/zinc/52/28/37/1070522837.db2.gz VHGKSPLNTJWYEQ-SFHVURJKSA-N 1 2 409.512 -0.434 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC2(CCOCC2)C1 ZINC000427679760 1070724354 /nfs/dbraw/zinc/72/43/54/1070724354.db2.gz UHDNEDJZJCPRPU-UHFFFAOYSA-N 1 2 405.499 0.573 20 0 HBADLO Cn1c2ccc(NC(=O)CCC(=O)NCC(C)(C)[NH+]3CCOCC3)nc2n(C)c1=O ZINC000427691281 1070725859 /nfs/dbraw/zinc/72/58/59/1070725859.db2.gz WZLNKWSMEMRLTD-UHFFFAOYSA-N 1 2 418.498 0.218 20 0 HBADLO CC[C@H]1C[N@@H+](CCNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000427736125 1070733701 /nfs/dbraw/zinc/73/37/01/1070733701.db2.gz VIWGSAOMXHGOEB-AWEZNQCLSA-N 1 2 418.498 0.218 20 0 HBADLO CC[C@H]1C[N@H+](CCNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000427736125 1070733690 /nfs/dbraw/zinc/73/36/90/1070733690.db2.gz VIWGSAOMXHGOEB-AWEZNQCLSA-N 1 2 418.498 0.218 20 0 HBADLO CC[C@@H]1C[N@@H+](CCNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000427736126 1070733529 /nfs/dbraw/zinc/73/35/29/1070733529.db2.gz VIWGSAOMXHGOEB-CQSZACIVSA-N 1 2 418.498 0.218 20 0 HBADLO CC[C@@H]1C[N@H+](CCNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CCO1 ZINC000427736126 1070733518 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Cn1cc(S(=O)(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000428410015 1071421218 /nfs/dbraw/zinc/42/12/18/1071421218.db2.gz DCQNIYQWYYJTHK-OAHLLOKOSA-N 1 2 424.548 -0.020 20 0 HBADLO Cn1cc(S(=O)(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(=O)n(C)c1=O ZINC000428410015 1071421213 /nfs/dbraw/zinc/42/12/13/1071421213.db2.gz DCQNIYQWYYJTHK-OAHLLOKOSA-N 1 2 424.548 -0.020 20 0 HBADLO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000428478440 1068969571 /nfs/dbraw/zinc/96/95/71/1068969571.db2.gz VUVHEFCCYGJEGO-HNNXBMFYSA-N 1 2 409.578 -0.674 20 0 HBADLO CC(C)NS(=O)(=O)NCCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000428478441 1068969876 /nfs/dbraw/zinc/96/98/76/1068969876.db2.gz VUVHEFCCYGJEGO-OAHLLOKOSA-N 1 2 409.578 -0.674 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H](CO)CC(F)F ZINC000428489825 1068987917 /nfs/dbraw/zinc/98/79/17/1068987917.db2.gz YOFQWQKYHINZHX-CYBMUJFWSA-N 1 2 421.470 -0.151 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H](CO)CC(F)F ZINC000428489826 1068988101 /nfs/dbraw/zinc/98/81/01/1068988101.db2.gz YOFQWQKYHINZHX-ZDUSSCGKSA-N 1 2 421.470 -0.151 20 0 HBADLO C[C@H](O)CN1CCN(C(=O)c2cccc(C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2)CC1 ZINC000428506216 1069154934 /nfs/dbraw/zinc/15/49/34/1069154934.db2.gz IOQGOTSUTQLXHH-ROUUACIJSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000428511573 1069156639 /nfs/dbraw/zinc/15/66/39/1069156639.db2.gz FAIOUWMWHBICDE-AWEZNQCLSA-N 1 2 417.553 -0.029 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)c2csc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000428511623 1069156743 /nfs/dbraw/zinc/15/67/43/1069156743.db2.gz SQBSOGNLMKNTDJ-ZDUSSCGKSA-N 1 2 403.526 -0.092 20 0 HBADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CC[NH+](C[C@H](C)O)CC3)CC2)c1 ZINC000428518925 1069160872 /nfs/dbraw/zinc/16/08/72/1069160872.db2.gz YYZNZDKEDXJWGB-SFHVURJKSA-N 1 2 424.567 -0.028 20 0 HBADLO C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)CCN1CCO ZINC000428528405 1069166710 /nfs/dbraw/zinc/16/67/10/1069166710.db2.gz DLOKWAGVTVOFHK-QZTJIDSGSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)CCN1CCO ZINC000428528405 1069166708 /nfs/dbraw/zinc/16/67/08/1069166708.db2.gz DLOKWAGVTVOFHK-QZTJIDSGSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)CCN1CCO ZINC000428528406 1069166571 /nfs/dbraw/zinc/16/65/71/1069166571.db2.gz DLOKWAGVTVOFHK-ROUUACIJSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)CCN1CCO ZINC000428528406 1069166566 /nfs/dbraw/zinc/16/65/66/1069166566.db2.gz DLOKWAGVTVOFHK-ROUUACIJSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC000428529900 1069167399 /nfs/dbraw/zinc/16/73/99/1069167399.db2.gz IHXHRYXVRLYMNA-AWEZNQCLSA-N 1 2 417.553 -0.029 20 0 HBADLO C[C@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000428529900 1069167396 /nfs/dbraw/zinc/16/73/96/1069167396.db2.gz IHXHRYXVRLYMNA-AWEZNQCLSA-N 1 2 417.553 -0.029 20 0 HBADLO C[C@@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC[N@H+]1CCO ZINC000428529902 1069167417 /nfs/dbraw/zinc/16/74/17/1069167417.db2.gz IHXHRYXVRLYMNA-CQSZACIVSA-N 1 2 417.553 -0.029 20 0 HBADLO C[C@@H]1CN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC[N@@H+]1CCO ZINC000428529902 1069167414 /nfs/dbraw/zinc/16/74/14/1069167414.db2.gz IHXHRYXVRLYMNA-CQSZACIVSA-N 1 2 417.553 -0.029 20 0 HBADLO O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000428688221 1069323447 /nfs/dbraw/zinc/32/34/47/1069323447.db2.gz ZORMJWCCQKMGTB-KBPBESRZSA-N 1 2 420.432 -0.306 20 0 HBADLO O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000428688222 1069323554 /nfs/dbraw/zinc/32/35/54/1069323554.db2.gz ZORMJWCCQKMGTB-KGLIPLIRSA-N 1 2 420.432 -0.306 20 0 HBADLO O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000428688223 1069323273 /nfs/dbraw/zinc/32/32/73/1069323273.db2.gz ZORMJWCCQKMGTB-UONOGXRCSA-N 1 2 420.432 -0.306 20 0 HBADLO O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000428688224 1069323391 /nfs/dbraw/zinc/32/33/91/1069323391.db2.gz ZORMJWCCQKMGTB-ZIAGYGMSSA-N 1 2 420.432 -0.306 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)CC1 ZINC000428703086 1069324855 /nfs/dbraw/zinc/32/48/55/1069324855.db2.gz XPSBWUXWGHDMLG-UHFFFAOYSA-N 1 2 414.572 -0.490 20 0 HBADLO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000428718056 1069553335 /nfs/dbraw/zinc/55/33/35/1069553335.db2.gz DTLLORMONUNIKF-DOMZBBRYSA-N 1 2 408.455 -0.861 20 0 HBADLO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000428729251 1069385277 /nfs/dbraw/zinc/38/52/77/1069385277.db2.gz NBGQILCRBNTUBQ-DOMZBBRYSA-N 1 2 405.455 -0.250 20 0 HBADLO C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428765961 1071215331 /nfs/dbraw/zinc/21/53/31/1071215331.db2.gz LRPDJOUQFRXLTE-HNNXBMFYSA-N 1 2 417.576 -0.989 20 0 HBADLO C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428765961 1071215322 /nfs/dbraw/zinc/21/53/22/1071215322.db2.gz LRPDJOUQFRXLTE-HNNXBMFYSA-N 1 2 417.576 -0.989 20 0 HBADLO C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428765962 1071215359 /nfs/dbraw/zinc/21/53/59/1071215359.db2.gz LRPDJOUQFRXLTE-OAHLLOKOSA-N 1 2 417.576 -0.989 20 0 HBADLO C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428765962 1071215351 /nfs/dbraw/zinc/21/53/51/1071215351.db2.gz LRPDJOUQFRXLTE-OAHLLOKOSA-N 1 2 417.576 -0.989 20 0 HBADLO C[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428771045 1071228675 /nfs/dbraw/zinc/22/86/75/1071228675.db2.gz HBMWCOPNJUEBRQ-AWEZNQCLSA-N 1 2 414.553 -0.002 20 0 HBADLO C[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428771045 1071228669 /nfs/dbraw/zinc/22/86/69/1071228669.db2.gz HBMWCOPNJUEBRQ-AWEZNQCLSA-N 1 2 414.553 -0.002 20 0 HBADLO C[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428771046 1071228528 /nfs/dbraw/zinc/22/85/28/1071228528.db2.gz HBMWCOPNJUEBRQ-CQSZACIVSA-N 1 2 414.553 -0.002 20 0 HBADLO C[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428771046 1071228506 /nfs/dbraw/zinc/22/85/06/1071228506.db2.gz HBMWCOPNJUEBRQ-CQSZACIVSA-N 1 2 414.553 -0.002 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)S(C)(=O)=O ZINC000428778033 1071241662 /nfs/dbraw/zinc/24/16/62/1071241662.db2.gz ANRTZNPXULRQLU-AWEZNQCLSA-N 1 2 412.578 -0.872 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1)S(C)(=O)=O ZINC000428778033 1071241655 /nfs/dbraw/zinc/24/16/55/1071241655.db2.gz ANRTZNPXULRQLU-AWEZNQCLSA-N 1 2 412.578 -0.872 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)S(C)(=O)=O ZINC000428778035 1071241896 /nfs/dbraw/zinc/24/18/96/1071241896.db2.gz ANRTZNPXULRQLU-CQSZACIVSA-N 1 2 412.578 -0.872 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1)S(C)(=O)=O ZINC000428778035 1071241888 /nfs/dbraw/zinc/24/18/88/1071241888.db2.gz ANRTZNPXULRQLU-CQSZACIVSA-N 1 2 412.578 -0.872 20 0 HBADLO CCC1(CC)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000428835391 1069179132 /nfs/dbraw/zinc/17/91/32/1069179132.db2.gz QUYFTEWJQOYQHT-INIZCTEOSA-N 1 2 415.556 -0.017 20 0 HBADLO CCC1(CC)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000428835392 1069179244 /nfs/dbraw/zinc/17/92/44/1069179244.db2.gz QUYFTEWJQOYQHT-MRXNPFEDSA-N 1 2 415.556 -0.017 20 0 HBADLO Cn1cc(N2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2=O)cn1 ZINC000428848563 1069353044 /nfs/dbraw/zinc/35/30/44/1069353044.db2.gz YUHBMNVIGUHZCD-UHFFFAOYSA-N 1 2 402.459 -0.171 20 0 HBADLO Cn1c2ncn(CC[N@H+]3CCn4c(nnc4-c4cccnc4)C3)c2c(=O)n(C)c1=O ZINC000428849725 1069353664 /nfs/dbraw/zinc/35/36/64/1069353664.db2.gz JQSHJSFEQQFGGC-UHFFFAOYSA-N 1 2 407.438 -0.397 20 0 HBADLO Cn1c2ncn(CC[N@@H+]3CCn4c(nnc4-c4cccnc4)C3)c2c(=O)n(C)c1=O ZINC000428849725 1069353650 /nfs/dbraw/zinc/35/36/50/1069353650.db2.gz JQSHJSFEQQFGGC-UHFFFAOYSA-N 1 2 407.438 -0.397 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000428864422 1069358066 /nfs/dbraw/zinc/35/80/66/1069358066.db2.gz BPYDTLIJNLXEAE-HNNXBMFYSA-N 1 2 400.505 -0.239 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000428864423 1069357948 /nfs/dbraw/zinc/35/79/48/1069357948.db2.gz BPYDTLIJNLXEAE-OAHLLOKOSA-N 1 2 400.505 -0.239 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428879598 1069361893 /nfs/dbraw/zinc/36/18/93/1069361893.db2.gz HTLRHBLNOOOVSV-UHFFFAOYSA-N 1 2 409.512 -0.482 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000428890491 1069365501 /nfs/dbraw/zinc/36/55/01/1069365501.db2.gz DHPPJKBRKBMTJD-AWEZNQCLSA-N 1 2 400.505 -0.239 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000428890492 1069365635 /nfs/dbraw/zinc/36/56/35/1069365635.db2.gz 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ZINC000429555305 1071897498 /nfs/dbraw/zinc/89/74/98/1071897498.db2.gz AMSDEISSSSDUCG-HJFSHJIFSA-N 1 2 405.528 -0.145 20 0 HBADLO C[C@@H]1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC[S@]1=O ZINC000429555307 1071897894 /nfs/dbraw/zinc/89/78/94/1071897894.db2.gz AMSDEISSSSDUCG-GMYLUUGSSA-N 1 2 405.528 -0.145 20 0 HBADLO CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1cn2c([nH+]1)CCCC2 ZINC000429556307 1069172676 /nfs/dbraw/zinc/17/26/76/1069172676.db2.gz OXMVBQZLLBYXKV-UHFFFAOYSA-N 1 2 418.542 -0.346 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC3CN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000429561050 1071898854 /nfs/dbraw/zinc/89/88/54/1071898854.db2.gz PAZZGLZOIAUTFN-UHFFFAOYSA-N 1 2 410.500 -0.518 20 0 HBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@](O)(C(N)=O)C2)ccc1Cl ZINC000429639834 1070200851 /nfs/dbraw/zinc/20/08/51/1070200851.db2.gz YRINPFQBMXTLTO-HNNXBMFYSA-N 1 2 404.876 -0.549 20 0 HBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@](O)(C(N)=O)C2)ccc1Cl ZINC000429639834 1070200836 /nfs/dbraw/zinc/20/08/36/1070200836.db2.gz YRINPFQBMXTLTO-HNNXBMFYSA-N 1 2 404.876 -0.549 20 0 HBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)ccc1Cl ZINC000429639836 1070201110 /nfs/dbraw/zinc/20/11/10/1070201110.db2.gz YRINPFQBMXTLTO-OAHLLOKOSA-N 1 2 404.876 -0.549 20 0 HBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)ccc1Cl ZINC000429639836 1070201103 /nfs/dbraw/zinc/20/11/03/1070201103.db2.gz YRINPFQBMXTLTO-OAHLLOKOSA-N 1 2 404.876 -0.549 20 0 HBADLO C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)cc2)CCN1CCO ZINC000429668026 1070284819 /nfs/dbraw/zinc/28/48/19/1070284819.db2.gz NJYYHFJJYPLYAC-QZTJIDSGSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)cc2)CCN1CCO ZINC000429668026 1070284809 /nfs/dbraw/zinc/28/48/09/1070284809.db2.gz NJYYHFJJYPLYAC-QZTJIDSGSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2)CCN1CCO ZINC000429668027 1070284703 /nfs/dbraw/zinc/28/47/03/1070284703.db2.gz NJYYHFJJYPLYAC-ROUUACIJSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@H]1CN(C(=O)c2ccc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2)CCN1CCO ZINC000429668027 1070284700 /nfs/dbraw/zinc/28/47/00/1070284700.db2.gz NJYYHFJJYPLYAC-ROUUACIJSA-N 1 2 418.538 -0.036 20 0 HBADLO C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)n2)CCN1CCO ZINC000429678325 1069190001 /nfs/dbraw/zinc/19/00/01/1069190001.db2.gz BJSZYAILMCGQAD-IAGOWNOFSA-N 1 2 419.526 -0.641 20 0 HBADLO C[C@@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](CCO)[C@H](C)C3)n2)CCN1CCO ZINC000429678325 1069189992 /nfs/dbraw/zinc/18/99/92/1069189992.db2.gz BJSZYAILMCGQAD-IAGOWNOFSA-N 1 2 419.526 -0.641 20 0 HBADLO C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)n2)CCN1CCO ZINC000429678328 1069190831 /nfs/dbraw/zinc/19/08/31/1069190831.db2.gz BJSZYAILMCGQAD-IRXDYDNUSA-N 1 2 419.526 -0.641 20 0 HBADLO C[C@H]1CN(C(=O)c2cccc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)n2)CCN1CCO ZINC000429678328 1069190828 /nfs/dbraw/zinc/19/08/28/1069190828.db2.gz BJSZYAILMCGQAD-IRXDYDNUSA-N 1 2 419.526 -0.641 20 0 HBADLO CC(C)NS(=O)(=O)NCCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000429757570 1069315532 /nfs/dbraw/zinc/31/55/32/1069315532.db2.gz NVCLJHRAICIDHZ-UHFFFAOYSA-N 1 2 403.509 -0.831 20 0 HBADLO COC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000429811054 1069304814 /nfs/dbraw/zinc/30/48/14/1069304814.db2.gz QVKRVRNWQOPULI-HNNXBMFYSA-N 1 2 403.439 -0.428 20 0 HBADLO COC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000429811099 1069305136 /nfs/dbraw/zinc/30/51/36/1069305136.db2.gz QVKRVRNWQOPULI-OAHLLOKOSA-N 1 2 403.439 -0.428 20 0 HBADLO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000429854187 1069412485 /nfs/dbraw/zinc/41/24/85/1069412485.db2.gz WMBZWGKLLLFUQN-UHFFFAOYSA-N 1 2 420.514 -0.081 20 0 HBADLO Cn1nccc1[C@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1C ZINC000429868145 1069415480 /nfs/dbraw/zinc/41/54/80/1069415480.db2.gz FBOJDEHUBKHIKR-CRAIPNDOSA-N 1 2 412.498 -0.332 20 0 HBADLO Cn1nccc1[C@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1C ZINC000429868147 1069416003 /nfs/dbraw/zinc/41/60/03/1069416003.db2.gz FBOJDEHUBKHIKR-MAUKXSAKSA-N 1 2 412.498 -0.332 20 0 HBADLO Cn1nccc1[C@@H]1[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1C ZINC000429868149 1069416100 /nfs/dbraw/zinc/41/61/00/1069416100.db2.gz FBOJDEHUBKHIKR-QAPCUYQASA-N 1 2 412.498 -0.332 20 0 HBADLO Cn1nccc1[C@@H]1[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC(=O)N1C ZINC000429868150 1069416158 /nfs/dbraw/zinc/41/61/58/1069416158.db2.gz FBOJDEHUBKHIKR-YJBOKZPZSA-N 1 2 412.498 -0.332 20 0 HBADLO CN(CCCNC(=O)C1CCC1)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000429877692 1069426787 /nfs/dbraw/zinc/42/67/87/1069426787.db2.gz PEUQBVVDFLXBBT-UHFFFAOYSA-N 1 2 420.514 -0.081 20 0 HBADLO COC(=O)C(C)(C)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000429879284 1069426635 /nfs/dbraw/zinc/42/66/35/1069426635.db2.gz YCSCLBZVOJSPGS-UHFFFAOYSA-N 1 2 419.530 -0.123 20 0 HBADLO COC(=O)[C@@H]1CCCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000429918099 1069436314 /nfs/dbraw/zinc/43/63/14/1069436314.db2.gz OXWYHFULFULURE-INIZCTEOSA-N 1 2 417.466 -0.038 20 0 HBADLO COC(=O)[C@H]1CCCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000429918100 1069436205 /nfs/dbraw/zinc/43/62/05/1069436205.db2.gz OXWYHFULFULURE-MRXNPFEDSA-N 1 2 417.466 -0.038 20 0 HBADLO CC1(C)[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1O ZINC000429942667 1069444005 /nfs/dbraw/zinc/44/40/05/1069444005.db2.gz DVWGNVIPVUCMBV-CABCVRRESA-N 1 2 411.528 -0.008 20 0 HBADLO CC1(C)[C@@H](O)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000429942668 1069444121 /nfs/dbraw/zinc/44/41/21/1069444121.db2.gz DVWGNVIPVUCMBV-GJZGRUSLSA-N 1 2 411.528 -0.008 20 0 HBADLO CC1(C)[C@H](O)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000429942669 1069444054 /nfs/dbraw/zinc/44/40/54/1069444054.db2.gz DVWGNVIPVUCMBV-HUUCEWRRSA-N 1 2 411.528 -0.008 20 0 HBADLO CC1(C)[C@H](O)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000429942670 1069444078 /nfs/dbraw/zinc/44/40/78/1069444078.db2.gz DVWGNVIPVUCMBV-LSDHHAIUSA-N 1 2 411.528 -0.008 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(CCO)CC1 ZINC000429952028 1069448173 /nfs/dbraw/zinc/44/81/73/1069448173.db2.gz RWHYPXOHFAKFND-UHFFFAOYSA-N 1 2 411.528 -0.005 20 0 HBADLO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000429988720 1069467666 /nfs/dbraw/zinc/46/76/66/1069467666.db2.gz ICEUFUIMWYWGCA-HNNXBMFYSA-N 1 2 417.470 -0.631 20 0 HBADLO Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000429988724 1069467622 /nfs/dbraw/zinc/46/76/22/1069467622.db2.gz ICEUFUIMWYWGCA-OAHLLOKOSA-N 1 2 417.470 -0.631 20 0 HBADLO Cc1ccnc(-n2nccc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000429990148 1069468252 /nfs/dbraw/zinc/46/82/52/1069468252.db2.gz KSDADPACSKMQDO-HNNXBMFYSA-N 1 2 402.455 -0.334 20 0 HBADLO Cc1ccnc(-n2nccc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000429990151 1069468226 /nfs/dbraw/zinc/46/82/26/1069468226.db2.gz KSDADPACSKMQDO-OAHLLOKOSA-N 1 2 402.455 -0.334 20 0 HBADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)o1 ZINC000429992060 1069468169 /nfs/dbraw/zinc/46/81/69/1069468169.db2.gz PNJZTXQXBKPORQ-HNNXBMFYSA-N 1 2 405.455 -0.077 20 0 HBADLO Cc1ccc(Cn2nccc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)o1 ZINC000429992064 1069468328 /nfs/dbraw/zinc/46/83/28/1069468328.db2.gz PNJZTXQXBKPORQ-OAHLLOKOSA-N 1 2 405.455 -0.077 20 0 HBADLO O=C(Nc1cnns1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000430052487 1069646610 /nfs/dbraw/zinc/64/66/10/1069646610.db2.gz PBPWDSGMLDENRZ-UHFFFAOYSA-N 1 2 404.456 -0.548 20 0 HBADLO O=C(Nc1cnns1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000430052487 1069646608 /nfs/dbraw/zinc/64/66/08/1069646608.db2.gz PBPWDSGMLDENRZ-UHFFFAOYSA-N 1 2 404.456 -0.548 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430075685 1069814084 /nfs/dbraw/zinc/81/40/84/1069814084.db2.gz HWGACVGKWAEJOP-UHFFFAOYSA-N 1 2 424.527 -0.689 20 0 HBADLO C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000430223132 1068247707 /nfs/dbraw/zinc/24/77/07/1068247707.db2.gz XKOSFYFMENSDGY-KBPBESRZSA-N 1 2 416.482 -0.480 20 0 HBADLO C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000430223133 1068247854 /nfs/dbraw/zinc/24/78/54/1068247854.db2.gz XKOSFYFMENSDGY-KGLIPLIRSA-N 1 2 416.482 -0.480 20 0 HBADLO C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000430223134 1068247812 /nfs/dbraw/zinc/24/78/12/1068247812.db2.gz XKOSFYFMENSDGY-UONOGXRCSA-N 1 2 416.482 -0.480 20 0 HBADLO C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000430223135 1068248355 /nfs/dbraw/zinc/24/83/55/1068248355.db2.gz XKOSFYFMENSDGY-ZIAGYGMSSA-N 1 2 416.482 -0.480 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000430243301 1068251641 /nfs/dbraw/zinc/25/16/41/1068251641.db2.gz ZIPVYMQYTVGMEF-GOSISDBHSA-N 1 2 420.514 -0.523 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000430243302 1068251503 /nfs/dbraw/zinc/25/15/03/1068251503.db2.gz ZIPVYMQYTVGMEF-SFHVURJKSA-N 1 2 420.514 -0.523 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430267533 1068263838 /nfs/dbraw/zinc/26/38/38/1068263838.db2.gz KCBRFKSMPAJHMQ-HDMKZQKVSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430267533 1068263829 /nfs/dbraw/zinc/26/38/29/1068263829.db2.gz KCBRFKSMPAJHMQ-HDMKZQKVSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430267534 1068263892 /nfs/dbraw/zinc/26/38/92/1068263892.db2.gz KCBRFKSMPAJHMQ-IIDMSEBBSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430267534 1068263886 /nfs/dbraw/zinc/26/38/86/1068263886.db2.gz KCBRFKSMPAJHMQ-IIDMSEBBSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430267535 1068264132 /nfs/dbraw/zinc/26/41/32/1068264132.db2.gz KCBRFKSMPAJHMQ-RLFYNMQTSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)C1 ZINC000430267535 1068264122 /nfs/dbraw/zinc/26/41/22/1068264122.db2.gz KCBRFKSMPAJHMQ-RLFYNMQTSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430267536 1068263947 /nfs/dbraw/zinc/26/39/47/1068263947.db2.gz KCBRFKSMPAJHMQ-RVKKMQEKSA-N 1 2 401.529 -0.361 20 0 HBADLO CNC(=O)[C@]1(C)CC[N@H+](CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000430267536 1068263941 /nfs/dbraw/zinc/26/39/41/1068263941.db2.gz KCBRFKSMPAJHMQ-RVKKMQEKSA-N 1 2 401.529 -0.361 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430484642 1068389383 /nfs/dbraw/zinc/38/93/83/1068389383.db2.gz HZZCTKZPSVKAFF-IKGGRYGDSA-N 1 2 410.515 -0.955 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000430484643 1068389109 /nfs/dbraw/zinc/38/91/09/1068389109.db2.gz HZZCTKZPSVKAFF-IXDOHACOSA-N 1 2 410.515 -0.955 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)[C@@H](C)C1 ZINC000430509450 1068428050 /nfs/dbraw/zinc/42/80/50/1068428050.db2.gz XRMONBLJWYQSQY-BBWFWOEESA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)[C@@H](C)C1 ZINC000430509450 1068428042 /nfs/dbraw/zinc/42/80/42/1068428042.db2.gz XRMONBLJWYQSQY-BBWFWOEESA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)[C@H](C)C1 ZINC000430509451 1068428161 /nfs/dbraw/zinc/42/81/61/1068428161.db2.gz XRMONBLJWYQSQY-ZACQAIPSSA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)[C@H](C)C1 ZINC000430509451 1068428156 /nfs/dbraw/zinc/42/81/56/1068428156.db2.gz XRMONBLJWYQSQY-ZACQAIPSSA-N 1 2 422.526 -0.011 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000430583005 1068485711 /nfs/dbraw/zinc/48/57/11/1068485711.db2.gz RAXVELYXQFIMJK-FGTMMUONSA-N 1 2 424.542 -0.565 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000430583006 1068485590 /nfs/dbraw/zinc/48/55/90/1068485590.db2.gz RAXVELYXQFIMJK-SQNIBIBYSA-N 1 2 424.542 -0.565 20 0 HBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CCO1 ZINC000430799889 1068553272 /nfs/dbraw/zinc/55/32/72/1068553272.db2.gz MVGYRVOZIOCDNW-JHJVBQTASA-N 1 2 406.430 -0.703 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CCO1 ZINC000430799889 1068553266 /nfs/dbraw/zinc/55/32/66/1068553266.db2.gz MVGYRVOZIOCDNW-JHJVBQTASA-N 1 2 406.430 -0.703 20 0 HBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CCO1 ZINC000430799890 1068553232 /nfs/dbraw/zinc/55/32/32/1068553232.db2.gz MVGYRVOZIOCDNW-YNEHKIRRSA-N 1 2 406.430 -0.703 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)CCO1 ZINC000430799890 1068553217 /nfs/dbraw/zinc/55/32/17/1068553217.db2.gz MVGYRVOZIOCDNW-YNEHKIRRSA-N 1 2 406.430 -0.703 20 0 HBADLO COC(=O)[C@@H]1CCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@@H]2C1 ZINC000430856258 1068555466 /nfs/dbraw/zinc/55/54/66/1068555466.db2.gz DDXRKYXXYAUQQD-CABCVRRESA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@H]1CCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@@H]2C1 ZINC000430856259 1068555638 /nfs/dbraw/zinc/55/56/38/1068555638.db2.gz DDXRKYXXYAUQQD-GJZGRUSLSA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@@H]1CCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@H]2C1 ZINC000430856260 1068555487 /nfs/dbraw/zinc/55/54/87/1068555487.db2.gz DDXRKYXXYAUQQD-HUUCEWRRSA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@H]1CCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@H]2C1 ZINC000430856261 1068555675 /nfs/dbraw/zinc/55/56/75/1068555675.db2.gz DDXRKYXXYAUQQD-LSDHHAIUSA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@@H]1CCCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@H]12 ZINC000430858281 1068556213 /nfs/dbraw/zinc/55/62/13/1068556213.db2.gz PGAQQCPFIYBJOR-CABCVRRESA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@H]1CCCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@H]12 ZINC000430858282 1068556109 /nfs/dbraw/zinc/55/61/09/1068556109.db2.gz PGAQQCPFIYBJOR-GJZGRUSLSA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@@H]1CCCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@@H]12 ZINC000430858283 1068556324 /nfs/dbraw/zinc/55/63/24/1068556324.db2.gz PGAQQCPFIYBJOR-HUUCEWRRSA-N 1 2 402.455 -0.186 20 0 HBADLO COC(=O)[C@H]1CCCN2C(=O)N(CC[NH+]3CCN(c4ncccn4)CC3)C(=O)[C@@H]12 ZINC000430858284 1068556298 /nfs/dbraw/zinc/55/62/98/1068556298.db2.gz PGAQQCPFIYBJOR-LSDHHAIUSA-N 1 2 402.455 -0.186 20 0 HBADLO COC[C@]1(C)NC(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000430885488 1068556976 /nfs/dbraw/zinc/55/69/76/1068556976.db2.gz MXZKOLULYXQRLD-KRWDZBQOSA-N 1 2 411.484 -0.510 20 0 HBADLO COC[C@@]1(C)NC(=O)N(CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000430885489 1068556704 /nfs/dbraw/zinc/55/67/04/1068556704.db2.gz MXZKOLULYXQRLD-QGZVFWFLSA-N 1 2 411.484 -0.510 20 0 HBADLO CO[C@@H]1C[C@H]2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)N2C1 ZINC000430888507 1068557454 /nfs/dbraw/zinc/55/74/54/1068557454.db2.gz YUXLPZXZHYWUNA-CABCVRRESA-N 1 2 423.495 -0.415 20 0 HBADLO CO[C@H]1C[C@H]2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)N2C1 ZINC000430888508 1068557348 /nfs/dbraw/zinc/55/73/48/1068557348.db2.gz YUXLPZXZHYWUNA-GJZGRUSLSA-N 1 2 423.495 -0.415 20 0 HBADLO CO[C@@H]1C[C@@H]2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)N2C1 ZINC000430888509 1068557554 /nfs/dbraw/zinc/55/75/54/1068557554.db2.gz YUXLPZXZHYWUNA-HUUCEWRRSA-N 1 2 423.495 -0.415 20 0 HBADLO CO[C@H]1C[C@@H]2C(=O)N(CCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)C(=O)N2C1 ZINC000430888510 1068557503 /nfs/dbraw/zinc/55/75/03/1068557503.db2.gz YUXLPZXZHYWUNA-LSDHHAIUSA-N 1 2 423.495 -0.415 20 0 HBADLO O=C1N[C@]2(CCOC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430888823 1068557588 /nfs/dbraw/zinc/55/75/88/1068557588.db2.gz ZVBRRANVQTYQHD-KRWDZBQOSA-N 1 2 409.468 -0.756 20 0 HBADLO O=C1N[C@@]2(CCOC2)C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430888824 1068557611 /nfs/dbraw/zinc/55/76/11/1068557611.db2.gz ZVBRRANVQTYQHD-QGZVFWFLSA-N 1 2 409.468 -0.756 20 0 HBADLO O=C1[C@H]2[C@H](O)CCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430892940 1068558138 /nfs/dbraw/zinc/55/81/38/1068558138.db2.gz HCVCUBMKMWDLIM-GDBMZVCRSA-N 1 2 423.495 -0.679 20 0 HBADLO O=C1[C@H]2[C@@H](O)CCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430892943 1068558237 /nfs/dbraw/zinc/55/82/37/1068558237.db2.gz HCVCUBMKMWDLIM-GOEBONIOSA-N 1 2 423.495 -0.679 20 0 HBADLO O=C1[C@@H]2[C@@H](O)CCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430892945 1068558047 /nfs/dbraw/zinc/55/80/47/1068558047.db2.gz HCVCUBMKMWDLIM-HOCLYGCPSA-N 1 2 423.495 -0.679 20 0 HBADLO O=C1[C@@H]2[C@H](O)CCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000430892946 1068557980 /nfs/dbraw/zinc/55/79/80/1068557980.db2.gz HCVCUBMKMWDLIM-ZBFHGGJFSA-N 1 2 423.495 -0.679 20 0 HBADLO COC(=O)CC[C@H]1NC(=O)N(CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000431057793 1068571980 /nfs/dbraw/zinc/57/19/80/1068571980.db2.gz JTPVBKKZPGFSSV-CQSZACIVSA-N 1 2 403.439 -0.006 20 0 HBADLO Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000431076890 1068573719 /nfs/dbraw/zinc/57/37/19/1068573719.db2.gz HLZWQLAPSOLRAS-UHFFFAOYSA-N 1 2 409.559 -0.750 20 0 HBADLO O=C(CN1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000431136402 1068576724 /nfs/dbraw/zinc/57/67/24/1068576724.db2.gz IZIJOWVAKGHDOX-AEFFLSMTSA-N 1 2 408.524 -0.134 20 0 HBADLO O=C(CN1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000431136405 1068576818 /nfs/dbraw/zinc/57/68/18/1068576818.db2.gz IZIJOWVAKGHDOX-FUHWJXTLSA-N 1 2 408.524 -0.134 20 0 HBADLO O=C(CN1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000431136408 1068576692 /nfs/dbraw/zinc/57/66/92/1068576692.db2.gz IZIJOWVAKGHDOX-SJLPKXTDSA-N 1 2 408.524 -0.134 20 0 HBADLO O=C(CN1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000431136411 1068576761 /nfs/dbraw/zinc/57/67/61/1068576761.db2.gz IZIJOWVAKGHDOX-WMZOPIPTSA-N 1 2 408.524 -0.134 20 0 HBADLO COCCCS(=O)(=O)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000431147135 1068577342 /nfs/dbraw/zinc/57/73/42/1068577342.db2.gz AVIPPOOKJDOTNA-UHFFFAOYSA-N 1 2 420.576 -0.803 20 0 HBADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)cn1 ZINC000431193559 1068585065 /nfs/dbraw/zinc/58/50/65/1068585065.db2.gz OYTINALBQHROAK-INIZCTEOSA-N 1 2 402.499 -0.228 20 0 HBADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC(=O)NC34CCC4)CC2)cn1 ZINC000431193559 1068585051 /nfs/dbraw/zinc/58/50/51/1068585051.db2.gz OYTINALBQHROAK-INIZCTEOSA-N 1 2 402.499 -0.228 20 0 HBADLO Cn1cc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)cn1 ZINC000431193560 1068585221 /nfs/dbraw/zinc/58/52/21/1068585221.db2.gz OYTINALBQHROAK-MRXNPFEDSA-N 1 2 402.499 -0.228 20 0 HBADLO Cn1cc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCC(=O)NC34CCC4)CC2)cn1 ZINC000431193560 1068585208 /nfs/dbraw/zinc/58/52/08/1068585208.db2.gz OYTINALBQHROAK-MRXNPFEDSA-N 1 2 402.499 -0.228 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431207575 1068588741 /nfs/dbraw/zinc/58/87/41/1068588741.db2.gz OLKKNYNFWNMRTH-INIZCTEOSA-N 1 2 421.542 -0.293 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCC(=O)NC23CCC3)CC1 ZINC000431207575 1068588726 /nfs/dbraw/zinc/58/87/26/1068588726.db2.gz OLKKNYNFWNMRTH-INIZCTEOSA-N 1 2 421.542 -0.293 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431207576 1068588627 /nfs/dbraw/zinc/58/86/27/1068588627.db2.gz OLKKNYNFWNMRTH-MRXNPFEDSA-N 1 2 421.542 -0.293 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000431207576 1068588613 /nfs/dbraw/zinc/58/86/13/1068588613.db2.gz OLKKNYNFWNMRTH-MRXNPFEDSA-N 1 2 421.542 -0.293 20 0 HBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000431285696 1068623174 /nfs/dbraw/zinc/62/31/74/1068623174.db2.gz UXBKEYMYIQKEBV-HNNXBMFYSA-N 1 2 413.544 -0.010 20 0 HBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000431285697 1068623224 /nfs/dbraw/zinc/62/32/24/1068623224.db2.gz UXBKEYMYIQKEBV-OAHLLOKOSA-N 1 2 413.544 -0.010 20 0 HBADLO O=C1N[C@@]2(CCOC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000431329530 1068643243 /nfs/dbraw/zinc/64/32/43/1068643243.db2.gz CBGZKUHAVHJZBH-AUUYWEPGSA-N 1 2 402.455 -0.007 20 0 HBADLO O=C1N[C@@]2(CCOC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000431329530 1068643236 /nfs/dbraw/zinc/64/32/36/1068643236.db2.gz CBGZKUHAVHJZBH-AUUYWEPGSA-N 1 2 402.455 -0.007 20 0 HBADLO O=C1N[C@@]2(CCOC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000431329531 1068643282 /nfs/dbraw/zinc/64/32/82/1068643282.db2.gz CBGZKUHAVHJZBH-IFXJQAMLSA-N 1 2 402.455 -0.007 20 0 HBADLO O=C1N[C@@]2(CCOC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000431329531 1068643280 /nfs/dbraw/zinc/64/32/80/1068643280.db2.gz CBGZKUHAVHJZBH-IFXJQAMLSA-N 1 2 402.455 -0.007 20 0 HBADLO O=C1N[C@]2(CCOC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000431329532 1068643402 /nfs/dbraw/zinc/64/34/02/1068643402.db2.gz CBGZKUHAVHJZBH-KUHUBIRLSA-N 1 2 402.455 -0.007 20 0 HBADLO O=C1N[C@]2(CCOC2)C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000431329532 1068643399 /nfs/dbraw/zinc/64/33/99/1068643399.db2.gz CBGZKUHAVHJZBH-KUHUBIRLSA-N 1 2 402.455 -0.007 20 0 HBADLO O=C1N[C@]2(CCOC2)C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000431329533 1068643273 /nfs/dbraw/zinc/64/32/73/1068643273.db2.gz CBGZKUHAVHJZBH-LIRRHRJNSA-N 1 2 402.455 -0.007 20 0 HBADLO 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CCOC(=O)[C@@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000431346264 1068650692 /nfs/dbraw/zinc/65/06/92/1068650692.db2.gz ZWAHWCOZMBCTDK-CZUORRHYSA-N 1 2 418.454 -0.235 20 0 HBADLO CCOC(=O)[C@@H]1NC(=O)N([C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000431346264 1068650684 /nfs/dbraw/zinc/65/06/84/1068650684.db2.gz ZWAHWCOZMBCTDK-CZUORRHYSA-N 1 2 418.454 -0.235 20 0 HBADLO CCOC(=O)[C@@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC000431346267 1068650803 /nfs/dbraw/zinc/65/08/03/1068650803.db2.gz ZWAHWCOZMBCTDK-XJKSGUPXSA-N 1 2 418.454 -0.235 20 0 HBADLO CCOC(=O)[C@@H]1NC(=O)N([C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC000431346267 1068650799 /nfs/dbraw/zinc/65/07/99/1068650799.db2.gz ZWAHWCOZMBCTDK-XJKSGUPXSA-N 1 2 418.454 -0.235 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000431350843 1068653180 /nfs/dbraw/zinc/65/31/80/1068653180.db2.gz PMPVNQBXCFHHAN-UHFFFAOYSA-N 1 2 409.450 -0.290 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)cc2)CC1 ZINC000431363911 1068662045 /nfs/dbraw/zinc/66/20/45/1068662045.db2.gz MUKTVJGSYWFJDW-GOSISDBHSA-N 1 2 414.510 -0.001 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)cc2)CC1 ZINC000431363912 1068661895 /nfs/dbraw/zinc/66/18/95/1068661895.db2.gz MUKTVJGSYWFJDW-SFHVURJKSA-N 1 2 414.510 -0.001 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)c2)CC1 ZINC000431382150 1068679654 /nfs/dbraw/zinc/67/96/54/1068679654.db2.gz LIDPHPGLNMVBPA-KRWDZBQOSA-N 1 2 400.483 -0.392 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)c2)CC1 ZINC000431382151 1068679534 /nfs/dbraw/zinc/67/95/34/1068679534.db2.gz LIDPHPGLNMVBPA-QGZVFWFLSA-N 1 2 400.483 -0.392 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1 ZINC000431474772 1068719233 /nfs/dbraw/zinc/71/92/33/1068719233.db2.gz XPNMHMTZUKKETO-BEFAXECRSA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1 ZINC000431474772 1068719219 /nfs/dbraw/zinc/71/92/19/1068719219.db2.gz XPNMHMTZUKKETO-BEFAXECRSA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1 ZINC000431474773 1068719066 /nfs/dbraw/zinc/71/90/66/1068719066.db2.gz XPNMHMTZUKKETO-DNVCBOLYSA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1 ZINC000431474773 1068719056 /nfs/dbraw/zinc/71/90/56/1068719056.db2.gz XPNMHMTZUKKETO-DNVCBOLYSA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1 ZINC000431474774 1068718942 /nfs/dbraw/zinc/71/89/42/1068718942.db2.gz XPNMHMTZUKKETO-HNAYVOBHSA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)CC1 ZINC000431474774 1068718931 /nfs/dbraw/zinc/71/89/31/1068718931.db2.gz XPNMHMTZUKKETO-HNAYVOBHSA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1 ZINC000431474775 1068719334 /nfs/dbraw/zinc/71/93/34/1068719334.db2.gz XPNMHMTZUKKETO-KXBFYZLASA-N 1 2 404.515 -0.082 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cnn(C)c2C)CC1 ZINC000431474775 1068719325 /nfs/dbraw/zinc/71/93/25/1068719325.db2.gz XPNMHMTZUKKETO-KXBFYZLASA-N 1 2 404.515 -0.082 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2n(n1)CCCO2 ZINC000431484668 1068723777 /nfs/dbraw/zinc/72/37/77/1068723777.db2.gz FJPSEGBPVSVWMB-UHFFFAOYSA-N 1 2 420.495 -0.058 20 0 HBADLO Cc1cn2ccnc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2n1 ZINC000431486362 1068725589 /nfs/dbraw/zinc/72/55/89/1068725589.db2.gz KSAGDVXBTIGURX-UHFFFAOYSA-N 1 2 407.500 -0.712 20 0 HBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1)c1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000431514965 1068750056 /nfs/dbraw/zinc/75/00/56/1068750056.db2.gz VPQPQTQWFJYQKP-UHFFFAOYSA-N 1 2 420.495 -0.082 20 0 HBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1)c1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000431514965 1068750042 /nfs/dbraw/zinc/75/00/42/1068750042.db2.gz VPQPQTQWFJYQKP-UHFFFAOYSA-N 1 2 420.495 -0.082 20 0 HBADLO C[C@H](CCN1CCN(c2nc(N)ns2)CC1)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000431609983 1069263535 /nfs/dbraw/zinc/26/35/35/1069263535.db2.gz OLPBWEVMBLSMNL-GFCCVEGCSA-N 1 2 424.604 -0.062 20 0 HBADLO C[C@H](CC[NH+]1CCN(c2nc(N)ns2)CC1)N1CCN(c2nc(N)ns2)CC1 ZINC000431609983 1069263524 /nfs/dbraw/zinc/26/35/24/1069263524.db2.gz OLPBWEVMBLSMNL-GFCCVEGCSA-N 1 2 424.604 -0.062 20 0 HBADLO C[C@@H](CCN1CCN(c2nc(N)ns2)CC1)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000431609986 1069263598 /nfs/dbraw/zinc/26/35/98/1069263598.db2.gz OLPBWEVMBLSMNL-LBPRGKRZSA-N 1 2 424.604 -0.062 20 0 HBADLO C[C@@H](CC[NH+]1CCN(c2nc(N)ns2)CC1)N1CCN(c2nc(N)ns2)CC1 ZINC000431609986 1069263589 /nfs/dbraw/zinc/26/35/89/1069263589.db2.gz OLPBWEVMBLSMNL-LBPRGKRZSA-N 1 2 424.604 -0.062 20 0 HBADLO CCN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 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/nfs/dbraw/zinc/97/27/33/1068972733.db2.gz WSLYJDTZELACLJ-OAHLLOKOSA-N 1 2 419.482 -0.081 20 0 HBADLO Cn1nccc1[C@H]1[C@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC(=O)N1C ZINC000431735987 1068975539 /nfs/dbraw/zinc/97/55/39/1068975539.db2.gz MNNUKJAYRJOTRT-CXAGYDPISA-N 1 2 423.481 -0.035 20 0 HBADLO Cn1nccc1[C@@H]1[C@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC(=O)N1C ZINC000431735988 1068975466 /nfs/dbraw/zinc/97/54/66/1068975466.db2.gz MNNUKJAYRJOTRT-DYVFJYSZSA-N 1 2 423.481 -0.035 20 0 HBADLO Cn1nccc1[C@@H]1[C@@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC(=O)N1C ZINC000431735989 1068975593 /nfs/dbraw/zinc/97/55/93/1068975593.db2.gz MNNUKJAYRJOTRT-GUYCJALGSA-N 1 2 423.481 -0.035 20 0 HBADLO Cn1nccc1[C@H]1[C@@H](C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC(=O)N1C ZINC000431735990 1068975564 /nfs/dbraw/zinc/97/55/64/1068975564.db2.gz MNNUKJAYRJOTRT-SUMWQHHRSA-N 1 2 423.481 -0.035 20 0 HBADLO Cc1c([C@H]2[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC(=O)N2C)cnn1C ZINC000431846944 1069047840 /nfs/dbraw/zinc/04/78/40/1069047840.db2.gz SOHYFSYFVCLMFR-CRAIPNDOSA-N 1 2 400.487 -0.316 20 0 HBADLO Cc1c([C@H]2[C@@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC(=O)N2C)cnn1C ZINC000431846947 1069048095 /nfs/dbraw/zinc/04/80/95/1069048095.db2.gz SOHYFSYFVCLMFR-MAUKXSAKSA-N 1 2 400.487 -0.316 20 0 HBADLO Cc1c([C@@H]2[C@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC(=O)N2C)cnn1C ZINC000431846949 1069048065 /nfs/dbraw/zinc/04/80/65/1069048065.db2.gz SOHYFSYFVCLMFR-QAPCUYQASA-N 1 2 400.487 -0.316 20 0 HBADLO Cc1c([C@@H]2[C@@H](C(=O)N3CC[NH+](CCn4cncn4)CC3)CC(=O)N2C)cnn1C ZINC000431846951 1069048273 /nfs/dbraw/zinc/04/82/73/1069048273.db2.gz SOHYFSYFVCLMFR-YJBOKZPZSA-N 1 2 400.487 -0.316 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC(=O)N1CCOCC1 ZINC000431847200 1069047665 /nfs/dbraw/zinc/04/76/65/1069047665.db2.gz LEYWOZOTABTHPV-UHFFFAOYSA-N 1 2 405.455 -0.470 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000431882593 1069084962 /nfs/dbraw/zinc/08/49/62/1069084962.db2.gz 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CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CCO1 ZINC000431963054 1069114760 /nfs/dbraw/zinc/11/47/60/1069114760.db2.gz CGRMAAZWUWOGMM-OAHLLOKOSA-N 1 2 405.455 -0.471 20 0 HBADLO COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431972617 1069133490 /nfs/dbraw/zinc/13/34/90/1069133490.db2.gz KVRFHKHTADJRNW-UHFFFAOYSA-N 1 2 405.455 -0.518 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000431974476 1069149608 /nfs/dbraw/zinc/14/96/08/1069149608.db2.gz RNSPBWMUBLJOSX-CYBMUJFWSA-N 1 2 411.484 -0.685 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000431974477 1069149475 /nfs/dbraw/zinc/14/94/75/1069149475.db2.gz RNSPBWMUBLJOSX-ZDUSSCGKSA-N 1 2 411.484 -0.685 20 0 HBADLO CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000431977256 1069162399 /nfs/dbraw/zinc/16/23/99/1069162399.db2.gz KZDXVBUFJQQCAW-UHFFFAOYSA-N 1 2 418.498 -0.555 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCNC(=O)c1cnccn1 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405.455 -0.328 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000434485984 1069788022 /nfs/dbraw/zinc/78/80/22/1069788022.db2.gz PDJJJUISPHYNPT-AESZEHBQSA-N 1 2 400.545 -0.136 20 0 HBADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000434488354 1069788092 /nfs/dbraw/zinc/78/80/92/1069788092.db2.gz HPAKKWRUEKUSJX-KRWDZBQOSA-N 1 2 422.526 -0.245 20 0 HBADLO Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000434488355 1069788143 /nfs/dbraw/zinc/78/81/43/1069788143.db2.gz HPAKKWRUEKUSJX-QGZVFWFLSA-N 1 2 422.526 -0.245 20 0 HBADLO COc1cccc(C[C@@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n2nnnc2C)c1 ZINC000434488960 1069788233 /nfs/dbraw/zinc/78/82/33/1069788233.db2.gz MVXWYFLBIXTQTQ-HKUYNNGSSA-N 1 2 418.498 -0.075 20 0 HBADLO COc1cccc(C[C@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n2nnnc2C)c1 ZINC000434488961 1069787989 /nfs/dbraw/zinc/78/79/89/1069787989.db2.gz MVXWYFLBIXTQTQ-IEBWSBKVSA-N 1 2 418.498 -0.075 20 0 HBADLO COc1cccc(C[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n2nnnc2C)c1 ZINC000434488962 1069788134 /nfs/dbraw/zinc/78/81/34/1069788134.db2.gz MVXWYFLBIXTQTQ-MJGOQNOKSA-N 1 2 418.498 -0.075 20 0 HBADLO COc1cccc(C[C@H](C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n2nnnc2C)c1 ZINC000434488963 1069788280 /nfs/dbraw/zinc/78/82/80/1069788280.db2.gz MVXWYFLBIXTQTQ-PKOBYXMFSA-N 1 2 418.498 -0.075 20 0 HBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCCC2)CC1)NC(=O)NCC(F)(F)F ZINC000434584913 1069800601 /nfs/dbraw/zinc/80/06/01/1069800601.db2.gz FEPQALVVSNNRPD-UHFFFAOYSA-N 1 2 407.393 -0.469 20 0 HBADLO COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000434657764 1069806043 /nfs/dbraw/zinc/80/60/43/1069806043.db2.gz WQKMYYWRFORSHR-LSDHHAIUSA-N 1 2 417.532 -0.853 20 0 HBADLO CC(C)(CNC(=O)CN1CCC[C@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000434737157 1069824199 /nfs/dbraw/zinc/82/41/99/1069824199.db2.gz OAAXJYFVHKTFDT-INIZCTEOSA-N 1 2 402.561 -0.287 20 0 HBADLO CC(C)(CNC(=O)CN1CCC[C@@H](N2CCCS2(=O)=O)C1)[NH+]1CCOCC1 ZINC000434737158 1069823571 /nfs/dbraw/zinc/82/35/71/1069823571.db2.gz OAAXJYFVHKTFDT-MRXNPFEDSA-N 1 2 402.561 -0.287 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434738032 1069821755 /nfs/dbraw/zinc/82/17/55/1069821755.db2.gz QFRJQHBTDALFQQ-INIZCTEOSA-N 1 2 424.523 -0.333 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434738032 1069821729 /nfs/dbraw/zinc/82/17/29/1069821729.db2.gz QFRJQHBTDALFQQ-INIZCTEOSA-N 1 2 424.523 -0.333 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434738033 1069821352 /nfs/dbraw/zinc/82/13/52/1069821352.db2.gz QFRJQHBTDALFQQ-MRXNPFEDSA-N 1 2 424.523 -0.333 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1 ZINC000434738033 1069821339 /nfs/dbraw/zinc/82/13/39/1069821339.db2.gz QFRJQHBTDALFQQ-MRXNPFEDSA-N 1 2 424.523 -0.333 20 0 HBADLO O=C(C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)N1CCN(c2cnccn2)CC1 ZINC000434738476 1069822090 /nfs/dbraw/zinc/82/20/90/1069822090.db2.gz OBFYMYPETQRVCH-INIZCTEOSA-N 1 2 408.528 -0.375 20 0 HBADLO O=C(C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1)N1CCN(c2cnccn2)CC1 ZINC000434738476 1069822070 /nfs/dbraw/zinc/82/20/70/1069822070.db2.gz OBFYMYPETQRVCH-INIZCTEOSA-N 1 2 408.528 -0.375 20 0 HBADLO O=C(C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)N1CCN(c2cnccn2)CC1 ZINC000434738478 1069821694 /nfs/dbraw/zinc/82/16/94/1069821694.db2.gz OBFYMYPETQRVCH-MRXNPFEDSA-N 1 2 408.528 -0.375 20 0 HBADLO O=C(C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1)N1CCN(c2cnccn2)CC1 ZINC000434738478 1069821677 /nfs/dbraw/zinc/82/16/77/1069821677.db2.gz OBFYMYPETQRVCH-MRXNPFEDSA-N 1 2 408.528 -0.375 20 0 HBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000434759026 1069824902 /nfs/dbraw/zinc/82/49/02/1069824902.db2.gz VEDAYFXPLTZUEE-NRFANRHFSA-N 1 2 411.462 -0.428 20 0 HBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000434759026 1069824884 /nfs/dbraw/zinc/82/48/84/1069824884.db2.gz VEDAYFXPLTZUEE-NRFANRHFSA-N 1 2 411.462 -0.428 20 0 HBADLO Cn1c(=O)c(C(=O)C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000434759031 1069825276 /nfs/dbraw/zinc/82/52/76/1069825276.db2.gz VEDAYFXPLTZUEE-OAQYLSRUSA-N 1 2 411.462 -0.428 20 0 HBADLO Cn1c(=O)c(C(=O)C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c(N)n(Cc2ccccc2)c1=O ZINC000434759031 1069825249 /nfs/dbraw/zinc/82/52/49/1069825249.db2.gz VEDAYFXPLTZUEE-OAQYLSRUSA-N 1 2 411.462 -0.428 20 0 HBADLO COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000434766705 1069827061 /nfs/dbraw/zinc/82/70/61/1069827061.db2.gz PWRWKXLLQVAXBM-UHFFFAOYSA-N 1 2 414.484 -0.668 20 0 HBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000434797501 1069829329 /nfs/dbraw/zinc/82/93/29/1069829329.db2.gz YHRCRLAHUJKLBX-IBGZPJMESA-N 1 2 403.439 -0.234 20 0 HBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)c1 ZINC000434797501 1069829307 /nfs/dbraw/zinc/82/93/07/1069829307.db2.gz YHRCRLAHUJKLBX-IBGZPJMESA-N 1 2 403.439 -0.234 20 0 HBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000434797502 1069829120 /nfs/dbraw/zinc/82/91/20/1069829120.db2.gz YHRCRLAHUJKLBX-LJQANCHMSA-N 1 2 403.439 -0.234 20 0 HBADLO COc1cccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c1 ZINC000434797502 1069829093 /nfs/dbraw/zinc/82/90/93/1069829093.db2.gz YHRCRLAHUJKLBX-LJQANCHMSA-N 1 2 403.439 -0.234 20 0 HBADLO O=C(C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000434798396 1069834658 /nfs/dbraw/zinc/83/46/58/1069834658.db2.gz HMVKIRGOHVGDQP-GOSISDBHSA-N 1 2 403.395 -0.220 20 0 HBADLO O=C(C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000434798396 1069834630 /nfs/dbraw/zinc/83/46/30/1069834630.db2.gz HMVKIRGOHVGDQP-GOSISDBHSA-N 1 2 403.395 -0.220 20 0 HBADLO O=C(C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000434798397 1069835582 /nfs/dbraw/zinc/83/55/82/1069835582.db2.gz HMVKIRGOHVGDQP-SFHVURJKSA-N 1 2 403.395 -0.220 20 0 HBADLO O=C(C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000434798397 1069835556 /nfs/dbraw/zinc/83/55/56/1069835556.db2.gz HMVKIRGOHVGDQP-SFHVURJKSA-N 1 2 403.395 -0.220 20 0 HBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434798537 1069835431 /nfs/dbraw/zinc/83/54/31/1069835431.db2.gz IZARXYNMLIGPEN-GOSISDBHSA-N 1 2 407.496 -0.113 20 0 HBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434798537 1069835408 /nfs/dbraw/zinc/83/54/08/1069835408.db2.gz IZARXYNMLIGPEN-GOSISDBHSA-N 1 2 407.496 -0.113 20 0 HBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434798538 1069834502 /nfs/dbraw/zinc/83/45/02/1069834502.db2.gz IZARXYNMLIGPEN-SFHVURJKSA-N 1 2 407.496 -0.113 20 0 HBADLO CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434798538 1069834483 /nfs/dbraw/zinc/83/44/83/1069834483.db2.gz IZARXYNMLIGPEN-SFHVURJKSA-N 1 2 407.496 -0.113 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434798977 1069835139 /nfs/dbraw/zinc/83/51/39/1069835139.db2.gz NOAJXDVVYDRKDF-KPZWWZAWSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434798977 1069835112 /nfs/dbraw/zinc/83/51/12/1069835112.db2.gz NOAJXDVVYDRKDF-KPZWWZAWSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434798978 1069834840 /nfs/dbraw/zinc/83/48/40/1069834840.db2.gz NOAJXDVVYDRKDF-KZULUSFZSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434798978 1069834813 /nfs/dbraw/zinc/83/48/13/1069834813.db2.gz NOAJXDVVYDRKDF-KZULUSFZSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434798979 1069835505 /nfs/dbraw/zinc/83/55/05/1069835505.db2.gz NOAJXDVVYDRKDF-SGTLLEGYSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434798979 1069835481 /nfs/dbraw/zinc/83/54/81/1069835481.db2.gz NOAJXDVVYDRKDF-SGTLLEGYSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434798980 1069835056 /nfs/dbraw/zinc/83/50/56/1069835056.db2.gz NOAJXDVVYDRKDF-XIKOKIGWSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434798980 1069835025 /nfs/dbraw/zinc/83/50/25/1069835025.db2.gz NOAJXDVVYDRKDF-XIKOKIGWSA-N 1 2 423.495 -0.062 20 0 HBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434800060 1069832048 /nfs/dbraw/zinc/83/20/48/1069832048.db2.gz ZBTOSSVJDRMPNA-ADLMAVQZSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434800060 1069832023 /nfs/dbraw/zinc/83/20/23/1069832023.db2.gz ZBTOSSVJDRMPNA-ADLMAVQZSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434800061 1069832539 /nfs/dbraw/zinc/83/25/39/1069832539.db2.gz ZBTOSSVJDRMPNA-BBATYDOGSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000434800061 1069832516 /nfs/dbraw/zinc/83/25/16/1069832516.db2.gz ZBTOSSVJDRMPNA-BBATYDOGSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434800062 1069832306 /nfs/dbraw/zinc/83/23/06/1069832306.db2.gz ZBTOSSVJDRMPNA-VOJFVSQTSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434800062 1069832281 /nfs/dbraw/zinc/83/22/81/1069832281.db2.gz ZBTOSSVJDRMPNA-VOJFVSQTSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434800063 1069832931 /nfs/dbraw/zinc/83/29/31/1069832931.db2.gz ZBTOSSVJDRMPNA-ZMZPIMSZSA-N 1 2 421.479 -0.714 20 0 HBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000434800063 1069832919 /nfs/dbraw/zinc/83/29/19/1069832919.db2.gz ZBTOSSVJDRMPNA-ZMZPIMSZSA-N 1 2 421.479 -0.714 20 0 HBADLO O=C(NC[C@@H]1CCCC(=O)N1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000434869397 1069849973 /nfs/dbraw/zinc/84/99/73/1069849973.db2.gz MZZRWGUZISHMCH-HNNXBMFYSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C(NC[C@@H]1CCCC(=O)N1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000434869397 1069849959 /nfs/dbraw/zinc/84/99/59/1069849959.db2.gz MZZRWGUZISHMCH-HNNXBMFYSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C(NC[C@H]1CCCC(=O)N1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000434869398 1069850285 /nfs/dbraw/zinc/85/02/85/1069850285.db2.gz MZZRWGUZISHMCH-OAHLLOKOSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C(NC[C@H]1CCCC(=O)N1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000434869398 1069850271 /nfs/dbraw/zinc/85/02/71/1069850271.db2.gz MZZRWGUZISHMCH-OAHLLOKOSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C1COc2ccc(S(=O)(=O)N3CC[NH+](CC4(O)CCOCC4)CC3)cc2N1 ZINC000434884488 1069851086 /nfs/dbraw/zinc/85/10/86/1069851086.db2.gz BKNDIJFZTMJMII-UHFFFAOYSA-N 1 2 411.480 -0.135 20 0 HBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC3(O)CCOCC3)CC2)cc1 ZINC000434888857 1069850496 /nfs/dbraw/zinc/85/04/96/1069850496.db2.gz PKROAMQPOSBHEG-UHFFFAOYSA-N 1 2 419.525 -0.818 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)C[C@H](O)CN2CCOCC2)ccc1C ZINC000434979701 1069859406 /nfs/dbraw/zinc/85/94/06/1069859406.db2.gz WCYHCQJCVWKMNO-INIZCTEOSA-N 1 2 414.528 -0.533 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+](C)C[C@H](O)CN2CCOCC2)ccc1C ZINC000434979701 1069859380 /nfs/dbraw/zinc/85/93/80/1069859380.db2.gz WCYHCQJCVWKMNO-INIZCTEOSA-N 1 2 414.528 -0.533 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+](C)C[C@@H](O)CN2CCOCC2)ccc1C 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CUBVGTSHHDOLQM-UHFFFAOYSA-N 1 2 414.466 -0.554 20 0 HBADLO COC(=O)[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000435281622 1069897759 /nfs/dbraw/zinc/89/77/59/1069897759.db2.gz RMJOUCYDPWOLPD-UONOGXRCSA-N 1 2 417.466 -0.134 20 0 HBADLO Cn1c(=O)[nH]cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=O ZINC000435364260 1069905711 /nfs/dbraw/zinc/90/57/11/1069905711.db2.gz OHQGVXIQLTULLY-UHFFFAOYSA-N 1 2 401.427 -0.925 20 0 HBADLO Cn1c(=O)[nH]cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1=O ZINC000435364260 1069905694 /nfs/dbraw/zinc/90/56/94/1069905694.db2.gz OHQGVXIQLTULLY-UHFFFAOYSA-N 1 2 401.427 -0.925 20 0 HBADLO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1=O ZINC000435368227 1069906625 /nfs/dbraw/zinc/90/66/25/1069906625.db2.gz HCJDUQRFNQMNQV-CYBMUJFWSA-N 1 2 415.454 -0.489 20 0 HBADLO Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1=O ZINC000435368227 1069906619 /nfs/dbraw/zinc/90/66/19/1069906619.db2.gz HCJDUQRFNQMNQV-CYBMUJFWSA-N 1 2 415.454 -0.489 20 0 HBADLO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1=O ZINC000435368228 1069906545 /nfs/dbraw/zinc/90/65/45/1069906545.db2.gz HCJDUQRFNQMNQV-ZDUSSCGKSA-N 1 2 415.454 -0.489 20 0 HBADLO Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1=O ZINC000435368228 1069906539 /nfs/dbraw/zinc/90/65/39/1069906539.db2.gz HCJDUQRFNQMNQV-ZDUSSCGKSA-N 1 2 415.454 -0.489 20 0 HBADLO Cc1conc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000435483305 1069647931 /nfs/dbraw/zinc/64/79/31/1069647931.db2.gz JYXLEKSXBIQAFF-AWEZNQCLSA-N 1 2 415.454 0.333 20 0 HBADLO Cc1conc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000435483305 1069647927 /nfs/dbraw/zinc/64/79/27/1069647927.db2.gz JYXLEKSXBIQAFF-AWEZNQCLSA-N 1 2 415.454 0.333 20 0 HBADLO Cc1conc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000435483306 1069647851 /nfs/dbraw/zinc/64/78/51/1069647851.db2.gz JYXLEKSXBIQAFF-CQSZACIVSA-N 1 2 415.454 0.333 20 0 HBADLO Cc1conc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000435483306 1069647843 /nfs/dbraw/zinc/64/78/43/1069647843.db2.gz JYXLEKSXBIQAFF-CQSZACIVSA-N 1 2 415.454 0.333 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000435496203 1069914961 /nfs/dbraw/zinc/91/49/61/1069914961.db2.gz RCNGQKGZUYOEMM-JXFKEZNVSA-N 1 2 419.482 -0.424 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000435496204 1069914847 /nfs/dbraw/zinc/91/48/47/1069914847.db2.gz RCNGQKGZUYOEMM-OXJNMPFZSA-N 1 2 419.482 -0.424 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000435496205 1069915137 /nfs/dbraw/zinc/91/51/37/1069915137.db2.gz RCNGQKGZUYOEMM-OXQOHEQNSA-N 1 2 419.482 -0.424 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000435496206 1069915191 /nfs/dbraw/zinc/91/51/91/1069915191.db2.gz RCNGQKGZUYOEMM-UZLBHIALSA-N 1 2 419.482 -0.424 20 0 HBADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435496910 1069914910 /nfs/dbraw/zinc/91/49/10/1069914910.db2.gz UTTZPSPPEFQHMC-GDBMZVCRSA-N 1 2 414.528 -0.010 20 0 HBADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435496911 1069915150 /nfs/dbraw/zinc/91/51/50/1069915150.db2.gz UTTZPSPPEFQHMC-GOEBONIOSA-N 1 2 414.528 -0.010 20 0 HBADLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435496912 1069915181 /nfs/dbraw/zinc/91/51/81/1069915181.db2.gz UTTZPSPPEFQHMC-HOCLYGCPSA-N 1 2 414.528 -0.010 20 0 HBADLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435496913 1069915038 /nfs/dbraw/zinc/91/50/38/1069915038.db2.gz UTTZPSPPEFQHMC-ZBFHGGJFSA-N 1 2 414.528 -0.010 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000435498569 1069915702 /nfs/dbraw/zinc/91/57/02/1069915702.db2.gz YBIKCHIUGQNPHW-IBGZPJMESA-N 1 2 419.526 -0.330 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000435498570 1069915668 /nfs/dbraw/zinc/91/56/68/1069915668.db2.gz YBIKCHIUGQNPHW-LJQANCHMSA-N 1 2 419.526 -0.330 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000435499581 1069915871 /nfs/dbraw/zinc/91/58/71/1069915871.db2.gz BTGHQVZDWUUZRV-HNNXBMFYSA-N 1 2 415.512 -0.197 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000435499582 1069915976 /nfs/dbraw/zinc/91/59/76/1069915976.db2.gz BTGHQVZDWUUZRV-OAHLLOKOSA-N 1 2 415.512 -0.197 20 0 HBADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435536064 1069917566 /nfs/dbraw/zinc/91/75/66/1069917566.db2.gz SIEOJZYEICYVRS-MOPGFXCFSA-N 1 2 405.495 -0.262 20 0 HBADLO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435536068 1069917371 /nfs/dbraw/zinc/91/73/71/1069917371.db2.gz SIEOJZYEICYVRS-OALUTQOASA-N 1 2 405.495 -0.262 20 0 HBADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435536070 1069917637 /nfs/dbraw/zinc/91/76/37/1069917637.db2.gz SIEOJZYEICYVRS-RBUKOAKNSA-N 1 2 405.495 -0.262 20 0 HBADLO COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435536072 1069917277 /nfs/dbraw/zinc/91/72/77/1069917277.db2.gz SIEOJZYEICYVRS-RTBURBONSA-N 1 2 405.495 -0.262 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000435561024 1069920859 /nfs/dbraw/zinc/92/08/59/1069920859.db2.gz QJOJQNLWTZFVGN-GOSISDBHSA-N 1 2 411.547 -0.735 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 ZINC000435561025 1069920524 /nfs/dbraw/zinc/92/05/24/1069920524.db2.gz QJOJQNLWTZFVGN-SFHVURJKSA-N 1 2 411.547 -0.735 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000435576163 1069922747 /nfs/dbraw/zinc/92/27/47/1069922747.db2.gz AKASITATNLRRGF-HNNXBMFYSA-N 1 2 400.501 -0.701 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000435576165 1069922591 /nfs/dbraw/zinc/92/25/91/1069922591.db2.gz AKASITATNLRRGF-OAHLLOKOSA-N 1 2 400.501 -0.701 20 0 HBADLO CNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)s1 ZINC000435577027 1069921001 /nfs/dbraw/zinc/92/10/01/1069921001.db2.gz IBVMEUADFWDVGE-GFCCVEGCSA-N 1 2 406.530 -0.509 20 0 HBADLO CNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)s1 ZINC000435577028 1069920485 /nfs/dbraw/zinc/92/04/85/1069920485.db2.gz IBVMEUADFWDVGE-LBPRGKRZSA-N 1 2 406.530 -0.509 20 0 HBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000435578384 1069922536 /nfs/dbraw/zinc/92/25/36/1069922536.db2.gz HPUJTWDJVICUSA-INIZCTEOSA-N 1 2 414.528 -0.392 20 0 HBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000435578386 1069923477 /nfs/dbraw/zinc/92/34/77/1069923477.db2.gz HPUJTWDJVICUSA-MRXNPFEDSA-N 1 2 414.528 -0.392 20 0 HBADLO CCCS(=O)(=O)N1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000435579830 1069923234 /nfs/dbraw/zinc/92/32/34/1069923234.db2.gz NHULADPNDBXFQA-INIZCTEOSA-N 1 2 406.549 -0.475 20 0 HBADLO CCCS(=O)(=O)N1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000435579833 1069923411 /nfs/dbraw/zinc/92/34/11/1069923411.db2.gz NHULADPNDBXFQA-MRXNPFEDSA-N 1 2 406.549 -0.475 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000435580209 1069921514 /nfs/dbraw/zinc/92/15/14/1069921514.db2.gz SEKVJCAUMOPCEO-HNNXBMFYSA-N 1 2 411.503 -0.424 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000435580213 1069921604 /nfs/dbraw/zinc/92/16/04/1069921604.db2.gz SEKVJCAUMOPCEO-OAHLLOKOSA-N 1 2 411.503 -0.424 20 0 HBADLO C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000435580679 1069920947 /nfs/dbraw/zinc/92/09/47/1069920947.db2.gz VAYJIWUJPHQBQI-DZGCQCFKSA-N 1 2 400.501 -0.271 20 0 HBADLO C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000435580680 1069921784 /nfs/dbraw/zinc/92/17/84/1069921784.db2.gz VAYJIWUJPHQBQI-HIFRSBDPSA-N 1 2 400.501 -0.271 20 0 HBADLO C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000435580681 1069921488 /nfs/dbraw/zinc/92/14/88/1069921488.db2.gz VAYJIWUJPHQBQI-UKRRQHHQSA-N 1 2 400.501 -0.271 20 0 HBADLO C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1cccc(S(N)(=O)=O)c1 ZINC000435580682 1069921628 /nfs/dbraw/zinc/92/16/28/1069921628.db2.gz VAYJIWUJPHQBQI-ZFWWWQNUSA-N 1 2 400.501 -0.271 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000435583994 1069921665 /nfs/dbraw/zinc/92/16/65/1069921665.db2.gz MNXCKUQYCOHFMA-INIZCTEOSA-N 1 2 400.501 -0.107 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cccc(NS(C)(=O)=O)c1 ZINC000435583995 1069921817 /nfs/dbraw/zinc/92/18/17/1069921817.db2.gz MNXCKUQYCOHFMA-MRXNPFEDSA-N 1 2 400.501 -0.107 20 0 HBADLO O=C(CCCNC(=O)c1cccnc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000435585374 1069922615 /nfs/dbraw/zinc/92/26/15/1069922615.db2.gz TZPLQOITYPFWEP-KRWDZBQOSA-N 1 2 403.483 -0.359 20 0 HBADLO O=C(CCCNC(=O)c1cccnc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000435585379 1069922660 /nfs/dbraw/zinc/92/26/60/1069922660.db2.gz TZPLQOITYPFWEP-QGZVFWFLSA-N 1 2 403.483 -0.359 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000435586043 1069921833 /nfs/dbraw/zinc/92/18/33/1069921833.db2.gz WJVVOTQOHOABCO-INIZCTEOSA-N 1 2 414.528 -0.229 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000435586047 1069921691 /nfs/dbraw/zinc/92/16/91/1069921691.db2.gz WJVVOTQOHOABCO-MRXNPFEDSA-N 1 2 414.528 -0.229 20 0 HBADLO CNC(=O)COc1cccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000435586220 1069922565 /nfs/dbraw/zinc/92/25/65/1069922565.db2.gz YFRAZXLDLRANJV-KRWDZBQOSA-N 1 2 418.494 -0.597 20 0 HBADLO CNC(=O)COc1cccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000435586224 1069922358 /nfs/dbraw/zinc/92/23/58/1069922358.db2.gz YFRAZXLDLRANJV-QGZVFWFLSA-N 1 2 418.494 -0.597 20 0 HBADLO Cc1conc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000435590139 1069922409 /nfs/dbraw/zinc/92/24/09/1069922409.db2.gz XFXKVYMNKXKPFC-UHFFFAOYSA-N 1 2 422.467 -0.415 20 0 HBADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000435610813 1069923624 /nfs/dbraw/zinc/92/36/24/1069923624.db2.gz MXWQHUVSPAXAKC-INIZCTEOSA-N 1 2 414.528 -0.229 20 0 HBADLO CN(C)S(=O)(=O)c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000435610814 1069923612 /nfs/dbraw/zinc/92/36/12/1069923612.db2.gz MXWQHUVSPAXAKC-MRXNPFEDSA-N 1 2 414.528 -0.229 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000435611285 1069923305 /nfs/dbraw/zinc/92/33/05/1069923305.db2.gz ACNWFHANONIVPO-KRWDZBQOSA-N 1 2 414.528 -0.560 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000435611286 1069923508 /nfs/dbraw/zinc/92/35/08/1069923508.db2.gz ACNWFHANONIVPO-QGZVFWFLSA-N 1 2 414.528 -0.560 20 0 HBADLO CN(C)C(=O)COc1cccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000435612211 1069923381 /nfs/dbraw/zinc/92/33/81/1069923381.db2.gz WGVJZFWPAXCJSZ-KRWDZBQOSA-N 1 2 408.499 -0.012 20 0 HBADLO CN(C)C(=O)COc1cccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000435612212 1069923529 /nfs/dbraw/zinc/92/35/29/1069923529.db2.gz WGVJZFWPAXCJSZ-QGZVFWFLSA-N 1 2 408.499 -0.012 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000435612783 1069923437 /nfs/dbraw/zinc/92/34/37/1069923437.db2.gz YYEJORXDLAHPGW-AEFFLSMTSA-N 1 2 402.561 -0.471 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000435612787 1069923351 /nfs/dbraw/zinc/92/33/51/1069923351.db2.gz YYEJORXDLAHPGW-FUHWJXTLSA-N 1 2 402.561 -0.471 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000435612789 1069923457 /nfs/dbraw/zinc/92/34/57/1069923457.db2.gz YYEJORXDLAHPGW-SJLPKXTDSA-N 1 2 402.561 -0.471 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000435612791 1069923635 /nfs/dbraw/zinc/92/36/35/1069923635.db2.gz YYEJORXDLAHPGW-WMZOPIPTSA-N 1 2 402.561 -0.471 20 0 HBADLO 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MRAADLUOJHYGOX-MRXNPFEDSA-N 1 2 424.523 -0.554 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2C[NH+]3CCN2CC3)CC1 ZINC000437025023 1070024175 /nfs/dbraw/zinc/02/41/75/1070024175.db2.gz XBWFMEKSXLKNNU-INIZCTEOSA-N 1 2 411.528 -0.192 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)CC1 ZINC000437025027 1070024121 /nfs/dbraw/zinc/02/41/21/1070024121.db2.gz XBWFMEKSXLKNNU-MRXNPFEDSA-N 1 2 411.528 -0.192 20 0 HBADLO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1OC ZINC000437026190 1070023961 /nfs/dbraw/zinc/02/39/61/1070023961.db2.gz UQEBAGWOQBFYNQ-AWEZNQCLSA-N 1 2 412.512 -0.512 20 0 HBADLO COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1OC ZINC000437026191 1070024145 /nfs/dbraw/zinc/02/41/45/1070024145.db2.gz UQEBAGWOQBFYNQ-CQSZACIVSA-N 1 2 412.512 -0.512 20 0 HBADLO CCc1ccc(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000437048505 1070026685 /nfs/dbraw/zinc/02/66/85/1070026685.db2.gz VCDCDKNQVUQQIM-GOSISDBHSA-N 1 2 422.551 -0.001 20 0 HBADLO CCc1ccc(C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000437048506 1070026502 /nfs/dbraw/zinc/02/65/02/1070026502.db2.gz VCDCDKNQVUQQIM-SFHVURJKSA-N 1 2 422.551 -0.001 20 0 HBADLO CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000437091806 1070029456 /nfs/dbraw/zinc/02/94/56/1070029456.db2.gz GRMKURXHOBRLFN-CABCVRRESA-N 1 2 407.471 0.002 20 0 HBADLO CN(CC(=O)N1CCOCC1)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000437150382 1070034360 /nfs/dbraw/zinc/03/43/60/1070034360.db2.gz CZZILZFPEFPYLJ-UHFFFAOYSA-N 1 2 417.510 -0.310 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000437154715 1070035325 /nfs/dbraw/zinc/03/53/25/1070035325.db2.gz YUUOLOAEBZVZOS-UHFFFAOYSA-N 1 2 405.455 -0.518 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(CCO)CCN1CCOCC1 ZINC000437270603 1069309978 /nfs/dbraw/zinc/30/99/78/1069309978.db2.gz TZAUCBPGERJACS-UHFFFAOYSA-N 1 2 421.498 -0.682 20 0 HBADLO COCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437272867 1070043262 /nfs/dbraw/zinc/04/32/62/1070043262.db2.gz CDZKYODMZLASRW-UHFFFAOYSA-N 1 2 416.482 0.224 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000437298130 1070045508 /nfs/dbraw/zinc/04/55/08/1070045508.db2.gz FQIMXSVFBVTKTB-DLBZAZTESA-N 1 2 408.524 -0.127 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000437298131 1070045735 /nfs/dbraw/zinc/04/57/35/1070045735.db2.gz FQIMXSVFBVTKTB-IAGOWNOFSA-N 1 2 408.524 -0.127 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000437298132 1070045596 /nfs/dbraw/zinc/04/55/96/1070045596.db2.gz FQIMXSVFBVTKTB-IRXDYDNUSA-N 1 2 408.524 -0.127 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000437298133 1070045389 /nfs/dbraw/zinc/04/53/89/1070045389.db2.gz FQIMXSVFBVTKTB-SJORKVTESA-N 1 2 408.524 -0.127 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)c2)CC1 ZINC000437326907 1070049564 /nfs/dbraw/zinc/04/95/64/1070049564.db2.gz JQDXFFTXUNPVMG-KRWDZBQOSA-N 1 2 423.539 -0.348 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)c2)CC1 ZINC000437326909 1070049495 /nfs/dbraw/zinc/04/94/95/1070049495.db2.gz JQDXFFTXUNPVMG-QGZVFWFLSA-N 1 2 423.539 -0.348 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000437327815 1070050187 /nfs/dbraw/zinc/05/01/87/1070050187.db2.gz ANHZENSMIVDGFS-DLBZAZTESA-N 1 2 408.524 -0.127 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000437327818 1070050330 /nfs/dbraw/zinc/05/03/30/1070050330.db2.gz ANHZENSMIVDGFS-IAGOWNOFSA-N 1 2 408.524 -0.127 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000437327820 1070050358 /nfs/dbraw/zinc/05/03/58/1070050358.db2.gz ANHZENSMIVDGFS-IRXDYDNUSA-N 1 2 408.524 -0.127 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000437327823 1070050405 /nfs/dbraw/zinc/05/04/05/1070050405.db2.gz ANHZENSMIVDGFS-SJORKVTESA-N 1 2 408.524 -0.127 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437330239 1070050889 /nfs/dbraw/zinc/05/08/89/1070050889.db2.gz XJNNGOBLAKSKKT-HNNXBMFYSA-N 1 2 424.523 -0.554 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437330240 1070051051 /nfs/dbraw/zinc/05/10/51/1070051051.db2.gz XJNNGOBLAKSKKT-OAHLLOKOSA-N 1 2 424.523 -0.554 20 0 HBADLO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000437341696 1070048801 /nfs/dbraw/zinc/04/88/01/1070048801.db2.gz HHHFSKJXBRQUJQ-GOSISDBHSA-N 1 2 422.551 -0.244 20 0 HBADLO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000437341699 1070049130 /nfs/dbraw/zinc/04/91/30/1070049130.db2.gz HHHFSKJXBRQUJQ-SFHVURJKSA-N 1 2 422.551 -0.244 20 0 HBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2)cn1C ZINC000437342593 1070055303 /nfs/dbraw/zinc/05/53/03/1070055303.db2.gz JDYFFCRJABPXNM-INIZCTEOSA-N 1 2 410.544 -0.755 20 0 HBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2)cn1C ZINC000437342597 1070055384 /nfs/dbraw/zinc/05/53/84/1070055384.db2.gz JDYFFCRJABPXNM-MRXNPFEDSA-N 1 2 410.544 -0.755 20 0 HBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000437343202 1070055845 /nfs/dbraw/zinc/05/58/45/1070055845.db2.gz PELUIQIIKDVSBN-INIZCTEOSA-N 1 2 409.512 -0.619 20 0 HBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000437343203 1070056118 /nfs/dbraw/zinc/05/61/18/1070056118.db2.gz PELUIQIIKDVSBN-MRXNPFEDSA-N 1 2 409.512 -0.619 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000437347970 1070053332 /nfs/dbraw/zinc/05/33/32/1070053332.db2.gz RMGPUZVVYPXKEU-CYBMUJFWSA-N 1 2 411.484 -0.555 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000437347971 1070053170 /nfs/dbraw/zinc/05/31/70/1070053170.db2.gz RMGPUZVVYPXKEU-ZDUSSCGKSA-N 1 2 411.484 -0.555 20 0 HBADLO O=C(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)Nc1ccccc1 ZINC000437353320 1070054422 /nfs/dbraw/zinc/05/44/22/1070054422.db2.gz BXDPJNGUVOFBNY-UHFFFAOYSA-N 1 2 400.439 -0.091 20 0 HBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1ccccc1 ZINC000437361130 1070057162 /nfs/dbraw/zinc/05/71/62/1070057162.db2.gz ZLHFZBYHXLWUQZ-UHFFFAOYSA-N 1 2 400.439 -0.091 20 0 HBADLO CN(CC(=O)Nc1ccccc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000437458259 1070063635 /nfs/dbraw/zinc/06/36/35/1070063635.db2.gz HUVVLPUHQGMLPC-UHFFFAOYSA-N 1 2 414.466 0.251 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1cccc2c1OCCO2 ZINC000437522212 1069608763 /nfs/dbraw/zinc/60/87/63/1069608763.db2.gz XAWRIWLALJCMMW-UHFFFAOYSA-N 1 2 401.423 0.564 20 0 HBADLO CCOC(=O)Cn1nc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1C ZINC000437583767 1070069191 /nfs/dbraw/zinc/06/91/91/1070069191.db2.gz QJNPYIMOZDJGQP-UHFFFAOYSA-N 1 2 419.482 -0.144 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000437708308 1070076004 /nfs/dbraw/zinc/07/60/04/1070076004.db2.gz IDTUFIYNSKCPFK-AWEZNQCLSA-N 1 2 400.526 -0.501 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1csc(S(=O)(=O)N2CCOCC2)c1 ZINC000437708310 1070075689 /nfs/dbraw/zinc/07/56/89/1070075689.db2.gz IDTUFIYNSKCPFK-CQSZACIVSA-N 1 2 400.526 -0.501 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000437749348 1070080177 /nfs/dbraw/zinc/08/01/77/1070080177.db2.gz UJFJBCVRYZIVEO-CVEARBPZSA-N 1 2 411.528 -0.192 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2C[NH+]3CCN2CC3)C1 ZINC000437749350 1070080436 /nfs/dbraw/zinc/08/04/36/1070080436.db2.gz UJFJBCVRYZIVEO-HOTGVXAUSA-N 1 2 411.528 -0.192 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000437749352 1070080352 /nfs/dbraw/zinc/08/03/52/1070080352.db2.gz UJFJBCVRYZIVEO-HZPDHXFCSA-N 1 2 411.528 -0.192 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1 ZINC000437749354 1070080666 /nfs/dbraw/zinc/08/06/66/1070080666.db2.gz UJFJBCVRYZIVEO-JKSUJKDBSA-N 1 2 411.528 -0.192 20 0 HBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@H]3C[NH+]4CCN3CC4)CC2)cc1 ZINC000437906437 1070090930 /nfs/dbraw/zinc/09/09/30/1070090930.db2.gz GYVJDHKZTGCONU-GOSISDBHSA-N 1 2 421.567 -0.583 20 0 HBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3C[NH+]4CCN3CC4)CC2)cc1 ZINC000437906438 1070090657 /nfs/dbraw/zinc/09/06/57/1070090657.db2.gz GYVJDHKZTGCONU-SFHVURJKSA-N 1 2 421.567 -0.583 20 0 HBADLO NC(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000437923638 1070090801 /nfs/dbraw/zinc/09/08/01/1070090801.db2.gz UARXKBRQBJENRJ-UHFFFAOYSA-N 1 2 407.452 -0.345 20 0 HBADLO O=C(c1cn(CCO)c(=O)[nH]c1=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000437941099 1070091267 /nfs/dbraw/zinc/09/12/67/1070091267.db2.gz OYUYPUAWUDPACV-SJORKVTESA-N 1 2 400.435 -0.333 20 0 HBADLO O=C(c1cn(CCO)c(=O)[nH]c1=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000437941099 1070091247 /nfs/dbraw/zinc/09/12/47/1070091247.db2.gz OYUYPUAWUDPACV-SJORKVTESA-N 1 2 400.435 -0.333 20 0 HBADLO Nc1noc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000437977429 1070095212 /nfs/dbraw/zinc/09/52/12/1070095212.db2.gz RUKFZBZBZFZHFH-CYBMUJFWSA-N 1 2 417.474 -0.211 20 0 HBADLO Nc1noc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000437977429 1070095197 /nfs/dbraw/zinc/09/51/97/1070095197.db2.gz RUKFZBZBZFZHFH-CYBMUJFWSA-N 1 2 417.474 -0.211 20 0 HBADLO Nc1noc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000437977432 1070095491 /nfs/dbraw/zinc/09/54/91/1070095491.db2.gz RUKFZBZBZFZHFH-ZDUSSCGKSA-N 1 2 417.474 -0.211 20 0 HBADLO Nc1noc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000437977432 1070095474 /nfs/dbraw/zinc/09/54/74/1070095474.db2.gz RUKFZBZBZFZHFH-ZDUSSCGKSA-N 1 2 417.474 -0.211 20 0 HBADLO COC(=O)[C@@H](O)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000437996744 1070097157 /nfs/dbraw/zinc/09/71/57/1070097157.db2.gz BWRFZSQHUGFLIV-INIZCTEOSA-N 1 2 406.487 -0.446 20 0 HBADLO COC(=O)[C@H](O)C1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000437996747 1070097434 /nfs/dbraw/zinc/09/74/34/1070097434.db2.gz BWRFZSQHUGFLIV-MRXNPFEDSA-N 1 2 406.487 -0.446 20 0 HBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@H]1C[NH+]2CCN1CC2 ZINC000438164689 1070108648 /nfs/dbraw/zinc/10/86/48/1070108648.db2.gz AZKFQCUGMXVFJL-AWEZNQCLSA-N 1 2 410.496 -0.758 20 0 HBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000438164690 1070108676 /nfs/dbraw/zinc/10/86/76/1070108676.db2.gz AZKFQCUGMXVFJL-CQSZACIVSA-N 1 2 410.496 -0.758 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000438165858 1070108331 /nfs/dbraw/zinc/10/83/31/1070108331.db2.gz MGHHDTGWQOLPIF-CYBMUJFWSA-N 1 2 406.530 -0.639 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCCNS(=O)(=O)c1cccs1 ZINC000438165863 1070108395 /nfs/dbraw/zinc/10/83/95/1070108395.db2.gz MGHHDTGWQOLPIF-ZDUSSCGKSA-N 1 2 406.530 -0.639 20 0 HBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H]2C[NH+]3CCN2CC3)cc1 ZINC000438176559 1070107861 /nfs/dbraw/zinc/10/78/61/1070107861.db2.gz JIESCLSXBBXBBD-BBRMVZONSA-N 1 2 409.512 -0.572 20 0 HBADLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H]2C[NH+]3CCN2CC3)cc1 ZINC000438176561 1070107826 /nfs/dbraw/zinc/10/78/26/1070107826.db2.gz JIESCLSXBBXBBD-XJKSGUPXSA-N 1 2 409.512 -0.572 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000438178052 1070107698 /nfs/dbraw/zinc/10/76/98/1070107698.db2.gz NZVSTPXMXGYCHY-CRAIPNDOSA-N 1 2 412.494 -0.348 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000438178053 1070107799 /nfs/dbraw/zinc/10/77/99/1070107799.db2.gz NZVSTPXMXGYCHY-MAUKXSAKSA-N 1 2 412.494 -0.348 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000438178054 1070107785 /nfs/dbraw/zinc/10/77/85/1070107785.db2.gz NZVSTPXMXGYCHY-QAPCUYQASA-N 1 2 412.494 -0.348 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000438178056 1070107749 /nfs/dbraw/zinc/10/77/49/1070107749.db2.gz NZVSTPXMXGYCHY-YJBOKZPZSA-N 1 2 412.494 -0.348 20 0 HBADLO COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000438245515 1070116387 /nfs/dbraw/zinc/11/63/87/1070116387.db2.gz IQIOVILRODJSPG-KRWDZBQOSA-N 1 2 420.466 -0.062 20 0 HBADLO COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000438245516 1070116458 /nfs/dbraw/zinc/11/64/58/1070116458.db2.gz IQIOVILRODJSPG-QGZVFWFLSA-N 1 2 420.466 -0.062 20 0 HBADLO O=C(NCCOc1ncccc1F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438250226 1069587261 /nfs/dbraw/zinc/58/72/61/1069587261.db2.gz YAJAOJHEUJCDFT-UHFFFAOYSA-N 1 2 406.418 -0.117 20 0 HBADLO O=C(NCCOc1ncccc1F)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000438255725 1070118866 /nfs/dbraw/zinc/11/88/66/1070118866.db2.gz NXCHJORMKJNRGN-UHFFFAOYSA-N 1 2 406.418 -0.117 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](O)Cc1ccccc1 ZINC000438260204 1069663248 /nfs/dbraw/zinc/66/32/48/1069663248.db2.gz VKUWVQVLMRFHFS-AEFFLSMTSA-N 1 2 415.494 0.262 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](O)Cc1ccccc1 ZINC000438260207 1069551269 /nfs/dbraw/zinc/55/12/69/1069551269.db2.gz VKUWVQVLMRFHFS-FUHWJXTLSA-N 1 2 415.494 0.262 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](O)Cc1ccccc1 ZINC000438260211 1069663449 /nfs/dbraw/zinc/66/34/49/1069663449.db2.gz VKUWVQVLMRFHFS-SJLPKXTDSA-N 1 2 415.494 0.262 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](O)Cc1ccccc1 ZINC000438260212 1069551341 /nfs/dbraw/zinc/55/13/41/1069551341.db2.gz VKUWVQVLMRFHFS-WMZOPIPTSA-N 1 2 415.494 0.262 20 0 HBADLO CCc1ccnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000438294417 1070123263 /nfs/dbraw/zinc/12/32/63/1070123263.db2.gz NNUCCWVUFINJQO-UHFFFAOYSA-N 1 2 410.544 -0.037 20 0 HBADLO NS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000438302000 1070124946 /nfs/dbraw/zinc/12/49/46/1070124946.db2.gz HITMPMVEYNECLH-UHFFFAOYSA-N 1 2 414.513 0.246 20 0 HBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438303506 1070124991 /nfs/dbraw/zinc/12/49/91/1070124991.db2.gz JRTCZNYPQRAERL-INIZCTEOSA-N 1 2 419.530 0.032 20 0 HBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438303508 1070124907 /nfs/dbraw/zinc/12/49/07/1070124907.db2.gz JRTCZNYPQRAERL-MRXNPFEDSA-N 1 2 419.530 0.032 20 0 HBADLO O=C(NCCS(=O)(=O)NCC1CCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438309630 1070125954 /nfs/dbraw/zinc/12/59/54/1070125954.db2.gz ZJPALSSRKHLGOU-UHFFFAOYSA-N 1 2 414.532 0.056 20 0 HBADLO CC(C)NC(=O)CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438310931 1069568031 /nfs/dbraw/zinc/56/80/31/1069568031.db2.gz FYHRZEVZEZOQGM-UHFFFAOYSA-N 1 2 407.519 -0.111 20 0 HBADLO CCN(CC)C(=O)CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438311640 1070126697 /nfs/dbraw/zinc/12/66/97/1070126697.db2.gz KFCUZSQJKMZMDC-UHFFFAOYSA-N 1 2 421.546 0.233 20 0 HBADLO CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438314372 1070126646 /nfs/dbraw/zinc/12/66/46/1070126646.db2.gz OYNYESHFVZSFCF-HNNXBMFYSA-N 1 2 414.532 0.151 20 0 HBADLO CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438314373 1070126746 /nfs/dbraw/zinc/12/67/46/1070126746.db2.gz OYNYESHFVZSFCF-OAHLLOKOSA-N 1 2 414.532 0.151 20 0 HBADLO O=C(NCCNC(=O)c1ccc(O)cc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438318215 1069584072 /nfs/dbraw/zinc/58/40/72/1069584072.db2.gz SPEUGLQXDJIYAT-UHFFFAOYSA-N 1 2 402.455 0.472 20 0 HBADLO CS(=O)(=O)N1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438319268 1069656596 /nfs/dbraw/zinc/65/65/96/1069656596.db2.gz IKENBLLSNSIVCK-UHFFFAOYSA-N 1 2 400.505 -0.286 20 0 HBADLO O=C(CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)N1CCCC1 ZINC000438320807 1069572991 /nfs/dbraw/zinc/57/29/91/1069572991.db2.gz ZLGXDNDUVUXCAW-UHFFFAOYSA-N 1 2 419.530 -0.013 20 0 HBADLO NC(=O)COc1cccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438322083 1070129243 /nfs/dbraw/zinc/12/92/43/1070129243.db2.gz GUCLPIOJPLMGTK-UHFFFAOYSA-N 1 2 402.455 0.401 20 0 HBADLO CN(CCc1ccccn1)C(=O)CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438323734 1070129400 /nfs/dbraw/zinc/12/94/00/1070129400.db2.gz JEWTWFFPZULUSW-UHFFFAOYSA-N 1 2 415.498 0.433 20 0 HBADLO O=C(NCCNS(=O)(=O)c1ccccc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438324689 1070129495 /nfs/dbraw/zinc/12/94/95/1070129495.db2.gz SGWQTRCLBNPAQV-UHFFFAOYSA-N 1 2 422.511 0.315 20 0 HBADLO CNS(=O)(=O)c1cccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438327543 1069567784 /nfs/dbraw/zinc/56/77/84/1069567784.db2.gz YBKGCFKKZPPKHX-UHFFFAOYSA-N 1 2 422.511 0.445 20 0 HBADLO NS(=O)(=O)c1cccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438328207 1070130421 /nfs/dbraw/zinc/13/04/21/1070130421.db2.gz MYVGPQFDYJLDIR-UHFFFAOYSA-N 1 2 408.484 0.184 20 0 HBADLO Cc1cc(N2CC[C@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)n(C)n1 ZINC000438328265 1069576070 /nfs/dbraw/zinc/57/60/70/1069576070.db2.gz BTGLTLHLIGDVEG-HNNXBMFYSA-N 1 2 416.486 0.184 20 0 HBADLO Cc1cc(N2CC[C@@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)n(C)n1 ZINC000438328269 1070130427 /nfs/dbraw/zinc/13/04/27/1070130427.db2.gz BTGLTLHLIGDVEG-OAHLLOKOSA-N 1 2 416.486 0.184 20 0 HBADLO Cn1cc(CN2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)cn1 ZINC000438330144 1069667356 /nfs/dbraw/zinc/66/73/56/1069667356.db2.gz YAJUFPYGVRTIOT-UHFFFAOYSA-N 1 2 402.503 0.299 20 0 HBADLO O=C(NCCCn1nc2n(c1=O)CCCC2)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438330248 1070127619 /nfs/dbraw/zinc/12/76/19/1070127619.db2.gz ULHRRKJERFLIJM-UHFFFAOYSA-N 1 2 418.502 0.122 20 0 HBADLO Cn1ccnc1CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000438331015 1069542832 /nfs/dbraw/zinc/54/28/32/1069542832.db2.gz WJZMMXSWKJDUID-UHFFFAOYSA-N 1 2 402.503 0.299 20 0 HBADLO O=C(Cn1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000438332266 1070127705 /nfs/dbraw/zinc/12/77/05/1070127705.db2.gz DDNQXNTZNLLCPE-KRWDZBQOSA-N 1 2 420.514 0.461 20 0 HBADLO O=C(Cn1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000438332267 1069578147 /nfs/dbraw/zinc/57/81/47/1069578147.db2.gz DDNQXNTZNLLCPE-QGZVFWFLSA-N 1 2 420.514 0.461 20 0 HBADLO Cn1ccc(N2CCC[C@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)n1 ZINC000438334104 1070127539 /nfs/dbraw/zinc/12/75/39/1070127539.db2.gz YCOPEUCJRTUHGJ-HNNXBMFYSA-N 1 2 416.486 0.266 20 0 HBADLO Cn1ccc(N2CCC[C@@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)n1 ZINC000438334106 1070127728 /nfs/dbraw/zinc/12/77/28/1070127728.db2.gz YCOPEUCJRTUHGJ-OAHLLOKOSA-N 1 2 416.486 0.266 20 0 HBADLO COc1ccnc(N2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000438335074 1070131125 /nfs/dbraw/zinc/13/11/25/1070131125.db2.gz CHAYKIKIYPIEOL-UHFFFAOYSA-N 1 2 416.486 0.368 20 0 HBADLO O=C(CN1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1)NC1CC1 ZINC000438335128 1070131061 /nfs/dbraw/zinc/13/10/61/1070131061.db2.gz OFNUJTICTBOULP-UHFFFAOYSA-N 1 2 405.503 -0.357 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000438337115 1070130985 /nfs/dbraw/zinc/13/09/85/1070130985.db2.gz XBSVADQPPBZYQT-GFCCVEGCSA-N 1 2 404.393 0.500 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000438337117 1070131083 /nfs/dbraw/zinc/13/10/83/1070131083.db2.gz XBSVADQPPBZYQT-LBPRGKRZSA-N 1 2 404.393 0.500 20 0 HBADLO NS(=O)(=O)c1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000438339189 1070131815 /nfs/dbraw/zinc/13/18/15/1070131815.db2.gz SDZZQUIHYPBKRC-UHFFFAOYSA-N 1 2 408.484 0.184 20 0 HBADLO CCN(CC)S(=O)(=O)CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438346612 1069611779 /nfs/dbraw/zinc/61/17/79/1069611779.db2.gz DLZKOMFAGIWYLI-UHFFFAOYSA-N 1 2 402.521 0.008 20 0 HBADLO COC(=O)[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCOCC1 ZINC000438346875 1070132890 /nfs/dbraw/zinc/13/28/90/1070132890.db2.gz DZBTXBHKJRIRMZ-INIZCTEOSA-N 1 2 409.487 0.553 20 0 HBADLO COC(=O)[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCOCC1 ZINC000438346876 1070132989 /nfs/dbraw/zinc/13/29/89/1070132989.db2.gz DZBTXBHKJRIRMZ-MRXNPFEDSA-N 1 2 409.487 0.553 20 0 HBADLO Cn1cc(N2CC[C@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)cn1 ZINC000438351184 1070130230 /nfs/dbraw/zinc/13/02/30/1070130230.db2.gz CSTAPLJWMXGDLR-HNNXBMFYSA-N 1 2 402.459 -0.124 20 0 HBADLO Cn1cc(N2CC[C@@H](NC(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2=O)cn1 ZINC000438351188 1070130325 /nfs/dbraw/zinc/13/03/25/1070130325.db2.gz CSTAPLJWMXGDLR-OAHLLOKOSA-N 1 2 402.459 -0.124 20 0 HBADLO Cc1noc(CN2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)n1 ZINC000438356676 1069660149 /nfs/dbraw/zinc/66/01/49/1069660149.db2.gz LALCOKFARRLYOV-UHFFFAOYSA-N 1 2 404.475 0.256 20 0 HBADLO CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000438385797 1070136412 /nfs/dbraw/zinc/13/64/12/1070136412.db2.gz DZSBAYXQLQWTQN-AEFFLSMTSA-N 1 2 410.515 -0.833 20 0 HBADLO CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000438385798 1070136310 /nfs/dbraw/zinc/13/63/10/1070136310.db2.gz DZSBAYXQLQWTQN-FUHWJXTLSA-N 1 2 410.515 -0.833 20 0 HBADLO CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000438385799 1070136431 /nfs/dbraw/zinc/13/64/31/1070136431.db2.gz DZSBAYXQLQWTQN-SJLPKXTDSA-N 1 2 410.515 -0.833 20 0 HBADLO CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000438385800 1070136142 /nfs/dbraw/zinc/13/61/42/1070136142.db2.gz DZSBAYXQLQWTQN-WMZOPIPTSA-N 1 2 410.515 -0.833 20 0 HBADLO NC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@H](C(N)=O)C3)n2)C1 ZINC000438390090 1070138162 /nfs/dbraw/zinc/13/81/62/1070138162.db2.gz VHACUZQLRDIAMI-KBPBESRZSA-N 1 2 418.502 -0.888 20 0 HBADLO NC(=O)[C@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@H](C(N)=O)C3)[nH+]2)C1 ZINC000438390090 1070138150 /nfs/dbraw/zinc/13/81/50/1070138150.db2.gz VHACUZQLRDIAMI-KBPBESRZSA-N 1 2 418.502 -0.888 20 0 HBADLO NC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCC[C@@H](C(N)=O)C3)n2)C1 ZINC000438390100 1070138279 /nfs/dbraw/zinc/13/82/79/1070138279.db2.gz VHACUZQLRDIAMI-ZIAGYGMSSA-N 1 2 418.502 -0.888 20 0 HBADLO NC(=O)[C@@H]1CCCN(c2nc(N3CCOCC3)nc(N3CCC[C@@H](C(N)=O)C3)[nH+]2)C1 ZINC000438390100 1070138273 /nfs/dbraw/zinc/13/82/73/1070138273.db2.gz VHACUZQLRDIAMI-ZIAGYGMSSA-N 1 2 418.502 -0.888 20 0 HBADLO C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000438516990 1070152459 /nfs/dbraw/zinc/15/24/59/1070152459.db2.gz PECBHGIDFQEWKJ-HNNXBMFYSA-N 1 2 417.514 -0.938 20 0 HBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000438516990 1070152454 /nfs/dbraw/zinc/15/24/54/1070152454.db2.gz PECBHGIDFQEWKJ-HNNXBMFYSA-N 1 2 417.514 -0.938 20 0 HBADLO C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000438516994 1070152288 /nfs/dbraw/zinc/15/22/88/1070152288.db2.gz PECBHGIDFQEWKJ-OAHLLOKOSA-N 1 2 417.514 -0.938 20 0 HBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000438516994 1070152282 /nfs/dbraw/zinc/15/22/82/1070152282.db2.gz PECBHGIDFQEWKJ-OAHLLOKOSA-N 1 2 417.514 -0.938 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN(C)C(=O)C2(C)C)CC1 ZINC000438519896 1070153322 /nfs/dbraw/zinc/15/33/22/1070153322.db2.gz UDLMCGSPIZQZIR-UHFFFAOYSA-N 1 2 400.487 -0.436 20 0 HBADLO Nc1c(N(CCO)C[C@@H](O)C[NH+]2CCOCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000438704509 1070171245 /nfs/dbraw/zinc/17/12/45/1070171245.db2.gz COJKVZYUFRSEDD-INIZCTEOSA-N 1 2 419.482 -0.929 20 0 HBADLO Nc1c(N(CCO)C[C@H](O)C[NH+]2CCOCC2)c(=O)[nH]c(=O)n1Cc1ccccc1 ZINC000438704510 1070171214 /nfs/dbraw/zinc/17/12/14/1070171214.db2.gz COJKVZYUFRSEDD-MRXNPFEDSA-N 1 2 419.482 -0.929 20 0 HBADLO CCOC(=O)CCN(C)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000438743000 1070177243 /nfs/dbraw/zinc/17/72/43/1070177243.db2.gz YNHIPTBVQLAXBM-UHFFFAOYSA-N 1 2 405.455 -0.181 20 0 HBADLO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438837305 1070193943 /nfs/dbraw/zinc/19/39/43/1070193943.db2.gz CFDHZOIXIGWVBR-AWEZNQCLSA-N 1 2 401.467 -0.123 20 0 HBADLO Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438837309 1070193855 /nfs/dbraw/zinc/19/38/55/1070193855.db2.gz CFDHZOIXIGWVBR-CQSZACIVSA-N 1 2 401.467 -0.123 20 0 HBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Nc1cccc(F)c1 ZINC000438874097 1069573384 /nfs/dbraw/zinc/57/33/84/1069573384.db2.gz CBSPGXPNKKIKRT-UHFFFAOYSA-N 1 2 418.429 0.048 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438942949 1070212001 /nfs/dbraw/zinc/21/20/01/1070212001.db2.gz SWYNHDFEFOMBFX-GFCCVEGCSA-N 1 2 417.466 -0.350 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000438942950 1070211978 /nfs/dbraw/zinc/21/19/78/1070211978.db2.gz SWYNHDFEFOMBFX-LBPRGKRZSA-N 1 2 417.466 -0.350 20 0 HBADLO COCCn1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000438990674 1070214922 /nfs/dbraw/zinc/21/49/22/1070214922.db2.gz JRNDYJCEJPLJPG-UHFFFAOYSA-N 1 2 422.511 -0.058 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)CC1 ZINC000438995585 1070216911 /nfs/dbraw/zinc/21/69/11/1070216911.db2.gz CYXFVJULXPKUTM-KRWDZBQOSA-N 1 2 424.523 -0.369 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC000438995586 1070216945 /nfs/dbraw/zinc/21/69/45/1070216945.db2.gz CYXFVJULXPKUTM-QGZVFWFLSA-N 1 2 424.523 -0.369 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000438998211 1070217574 /nfs/dbraw/zinc/21/75/74/1070217574.db2.gz IBHIEVREEBVORU-CYBMUJFWSA-N 1 2 412.512 -0.004 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000438998220 1070217664 /nfs/dbraw/zinc/21/76/64/1070217664.db2.gz IBHIEVREEBVORU-ZDUSSCGKSA-N 1 2 412.512 -0.004 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000438999045 1070217766 /nfs/dbraw/zinc/21/77/66/1070217766.db2.gz VHDBTLKEEGYTPK-UHFFFAOYSA-N 1 2 406.468 -0.074 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000439005219 1070216380 /nfs/dbraw/zinc/21/63/80/1070216380.db2.gz QYCLOPWBUUMMGC-UHFFFAOYSA-N 1 2 408.484 -0.304 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000439010622 1070217031 /nfs/dbraw/zinc/21/70/31/1070217031.db2.gz RODMQQLUYPQZIU-UHFFFAOYSA-N 1 2 403.549 -0.587 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000439010697 1070216981 /nfs/dbraw/zinc/21/69/81/1070216981.db2.gz ZDNZEMFJZFUVHB-UHFFFAOYSA-N 1 2 413.456 -0.418 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000439044229 1070220300 /nfs/dbraw/zinc/22/03/00/1070220300.db2.gz ZDMBZZZSXKRJAY-UHFFFAOYSA-N 1 2 416.482 -0.775 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000439044229 1070220293 /nfs/dbraw/zinc/22/02/93/1070220293.db2.gz ZDMBZZZSXKRJAY-UHFFFAOYSA-N 1 2 416.482 -0.775 20 0 HBADLO CCS(=O)(=O)N1CC(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000439072828 1070224038 /nfs/dbraw/zinc/22/40/38/1070224038.db2.gz SEXMJCXPSPZTSW-UHFFFAOYSA-N 1 2 411.532 -0.821 20 0 HBADLO COCCn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000439080762 1070226765 /nfs/dbraw/zinc/22/67/65/1070226765.db2.gz ZBSXHJKZPROLDW-UHFFFAOYSA-N 1 2 409.516 -0.190 20 0 HBADLO COCCn1cc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000439085324 1070226451 /nfs/dbraw/zinc/22/64/51/1070226451.db2.gz MPLNLOYCZGEIIH-UHFFFAOYSA-N 1 2 406.472 -0.283 20 0 HBADLO OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCCCNc2cccc[nH+]2)[C@H](O)[C@@H]1O ZINC000439098174 1070228597 /nfs/dbraw/zinc/22/85/97/1070228597.db2.gz JDDUARWNZSYNJL-XKLVTHTNSA-N 1 2 401.427 -0.253 20 0 HBADLO COCC[NH+]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2S(N)(=O)=O)CC1 ZINC000439102826 1070230958 /nfs/dbraw/zinc/23/09/58/1070230958.db2.gz ZJANQJBSFLRVOS-UHFFFAOYSA-N 1 2 406.530 -0.647 20 0 HBADLO COCCn1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000439110192 1070228527 /nfs/dbraw/zinc/22/85/27/1070228527.db2.gz QRBFKWBLFHLLSJ-UHFFFAOYSA-N 1 2 422.511 -0.194 20 0 HBADLO CNS(=O)(=O)CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000439120476 1070232075 /nfs/dbraw/zinc/23/20/75/1070232075.db2.gz RHLJUWRGLSWALU-UHFFFAOYSA-N 1 2 400.501 -0.254 20 0 HBADLO CNS(=O)(=O)CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000439123659 1070233282 /nfs/dbraw/zinc/23/32/82/1070233282.db2.gz KRDHUIBDOQOPEH-UHFFFAOYSA-N 1 2 400.501 -0.254 20 0 HBADLO OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCN(c3cccc[nH+]3)CC2)[C@H](O)[C@@H]1O ZINC000439129284 1070234809 /nfs/dbraw/zinc/23/48/09/1070234809.db2.gz IUBBLQOEPOOBCJ-BGIGGGFGSA-N 1 2 413.438 -0.841 20 0 HBADLO NC(=O)[C@H]1CN(c2cc(N3CCO[C@H](C(N)=O)C3)[nH+]c(-c3ccccc3)n2)CCO1 ZINC000439155983 1070238574 /nfs/dbraw/zinc/23/85/74/1070238574.db2.gz CJVQZDVOXCOFMP-GASCZTMLSA-N 1 2 412.450 -0.475 20 0 HBADLO NC(=O)[C@H]1CN(c2cc(N3CCO[C@H](C(N)=O)C3)nc(-c3ccccc3)[nH+]2)CCO1 ZINC000439155983 1070238565 /nfs/dbraw/zinc/23/85/65/1070238565.db2.gz CJVQZDVOXCOFMP-GASCZTMLSA-N 1 2 412.450 -0.475 20 0 HBADLO NC(=O)[C@@H]1CN(c2cc(N3CCO[C@H](C(N)=O)C3)[nH+]c(-c3ccccc3)n2)CCO1 ZINC000439155984 1070238634 /nfs/dbraw/zinc/23/86/34/1070238634.db2.gz CJVQZDVOXCOFMP-GJZGRUSLSA-N 1 2 412.450 -0.475 20 0 HBADLO NC(=O)[C@H]1CN(c2cc(N3CCO[C@@H](C(N)=O)C3)[nH+]c(-c3ccccc3)n2)CCO1 ZINC000439155985 1070238738 /nfs/dbraw/zinc/23/87/38/1070238738.db2.gz CJVQZDVOXCOFMP-HUUCEWRRSA-N 1 2 412.450 -0.475 20 0 HBADLO Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)[nH]1 ZINC000439182929 1070239337 /nfs/dbraw/zinc/23/93/37/1070239337.db2.gz WYPOYBVKWRDFOP-HNNXBMFYSA-N 1 2 416.486 -0.013 20 0 HBADLO Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)[nH]1 ZINC000439182930 1070239401 /nfs/dbraw/zinc/23/94/01/1070239401.db2.gz WYPOYBVKWRDFOP-OAHLLOKOSA-N 1 2 416.486 -0.013 20 0 HBADLO Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)[nH]1 ZINC000439188252 1070241020 /nfs/dbraw/zinc/24/10/20/1070241020.db2.gz JUFVBQRPCJYDMU-HNNXBMFYSA-N 1 2 416.486 -0.013 20 0 HBADLO Cc1nnc([C@@H]2CCCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)[nH]1 ZINC000439188254 1070241262 /nfs/dbraw/zinc/24/12/62/1070241262.db2.gz JUFVBQRPCJYDMU-OAHLLOKOSA-N 1 2 416.486 -0.013 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000439200326 1070244076 /nfs/dbraw/zinc/24/40/76/1070244076.db2.gz AETGNRBSTLQIIK-CVEARBPZSA-N 1 2 404.471 -0.577 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000439200327 1070244006 /nfs/dbraw/zinc/24/40/06/1070244006.db2.gz AETGNRBSTLQIIK-HOTGVXAUSA-N 1 2 404.471 -0.577 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000439200344 1070243978 /nfs/dbraw/zinc/24/39/78/1070243978.db2.gz AETGNRBSTLQIIK-HZPDHXFCSA-N 1 2 404.471 -0.577 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000439200348 1070244054 /nfs/dbraw/zinc/24/40/54/1070244054.db2.gz AETGNRBSTLQIIK-JKSUJKDBSA-N 1 2 404.471 -0.577 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C)c2)CC1 ZINC000439204239 1070245238 /nfs/dbraw/zinc/24/52/38/1070245238.db2.gz ZQNRDNADTDVPSA-AWEZNQCLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C)c2)CC1 ZINC000439204240 1070245259 /nfs/dbraw/zinc/24/52/59/1070245259.db2.gz ZQNRDNADTDVPSA-CQSZACIVSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCNC(=O)[C@@H]3C)cc2)CC1 ZINC000439212430 1070246257 /nfs/dbraw/zinc/24/62/57/1070246257.db2.gz JRTDRQIYWWQJDY-AWEZNQCLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCNC(=O)[C@H]3C)cc2)CC1 ZINC000439212432 1070246595 /nfs/dbraw/zinc/24/65/95/1070246595.db2.gz JRTDRQIYWWQJDY-CQSZACIVSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000439217968 1070245786 /nfs/dbraw/zinc/24/57/86/1070245786.db2.gz XXLSXBNLVNXNMZ-AWEZNQCLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000439217969 1070245627 /nfs/dbraw/zinc/24/56/27/1070245627.db2.gz XXLSXBNLVNXNMZ-CQSZACIVSA-N 1 2 401.467 -0.364 20 0 HBADLO CC[C@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 ZINC000439225790 1070248805 /nfs/dbraw/zinc/24/88/05/1070248805.db2.gz UQJQIXJBEUOJPU-INIZCTEOSA-N 1 2 405.503 -0.465 20 0 HBADLO CC[C@@H](NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)C(=O)N1CCOCC1 ZINC000439225791 1070248854 /nfs/dbraw/zinc/24/88/54/1070248854.db2.gz UQJQIXJBEUOJPU-MRXNPFEDSA-N 1 2 405.503 -0.465 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCOCC2)ccn1 ZINC000439263166 1070253050 /nfs/dbraw/zinc/25/30/50/1070253050.db2.gz WSWVBJOLQJWNPJ-INIZCTEOSA-N 1 2 403.483 -0.419 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(N2CCOCC2)ccn1 ZINC000439263167 1070252901 /nfs/dbraw/zinc/25/29/01/1070252901.db2.gz WSWVBJOLQJWNPJ-MRXNPFEDSA-N 1 2 403.483 -0.419 20 0 HBADLO CNC(=O)CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000439295029 1070256984 /nfs/dbraw/zinc/25/69/84/1070256984.db2.gz KVKDLURMRIJIBM-UHFFFAOYSA-N 1 2 403.483 -0.116 20 0 HBADLO CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000439309605 1070259423 /nfs/dbraw/zinc/25/94/23/1070259423.db2.gz IWMAGCKESHVRQB-UHFFFAOYSA-N 1 2 403.483 -0.116 20 0 HBADLO CNC(=O)CCN(C)C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000439309891 1070258251 /nfs/dbraw/zinc/25/82/51/1070258251.db2.gz MABRHKUFMNBFIX-UHFFFAOYSA-N 1 2 403.483 -0.116 20 0 HBADLO COCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000439310851 1070258230 /nfs/dbraw/zinc/25/82/30/1070258230.db2.gz WHAGYFOKSJCWHW-UHFFFAOYSA-N 1 2 416.482 0.224 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000439319469 1070258921 /nfs/dbraw/zinc/25/89/21/1070258921.db2.gz QGICDCKEXXOAPW-KBPBESRZSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000439319469 1070258911 /nfs/dbraw/zinc/25/89/11/1070258911.db2.gz QGICDCKEXXOAPW-KBPBESRZSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000439319470 1070258882 /nfs/dbraw/zinc/25/88/82/1070258882.db2.gz QGICDCKEXXOAPW-KGLIPLIRSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000439319470 1070258871 /nfs/dbraw/zinc/25/88/71/1070258871.db2.gz QGICDCKEXXOAPW-KGLIPLIRSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000439319471 1070258671 /nfs/dbraw/zinc/25/86/71/1070258671.db2.gz QGICDCKEXXOAPW-UONOGXRCSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@@H](C)COC)C1 ZINC000439319471 1070258659 /nfs/dbraw/zinc/25/86/59/1070258659.db2.gz QGICDCKEXXOAPW-UONOGXRCSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000439319472 1070258809 /nfs/dbraw/zinc/25/88/09/1070258809.db2.gz QGICDCKEXXOAPW-ZIAGYGMSSA-N 1 2 424.502 -0.174 20 0 HBADLO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CC(=O)NC(=O)N[C@H](C)COC)C1 ZINC000439319472 1070258799 /nfs/dbraw/zinc/25/87/99/1070258799.db2.gz QGICDCKEXXOAPW-ZIAGYGMSSA-N 1 2 424.502 -0.174 20 0 HBADLO CCS(=O)(=O)N1CC(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000439332378 1070262289 /nfs/dbraw/zinc/26/22/89/1070262289.db2.gz ZQCFDSIJOHPMHS-UHFFFAOYSA-N 1 2 400.505 -0.382 20 0 HBADLO CCS(=O)(=O)N1CC(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000439333054 1070259989 /nfs/dbraw/zinc/25/99/89/1070259989.db2.gz SEOSPVRYELCJPG-UHFFFAOYSA-N 1 2 400.505 -0.382 20 0 HBADLO COCCN(CCO)C(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000439344186 1070263111 /nfs/dbraw/zinc/26/31/11/1070263111.db2.gz DRUNYYGZGJMRBT-UHFFFAOYSA-N 1 2 406.483 -0.244 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000439346458 1070263805 /nfs/dbraw/zinc/26/38/05/1070263805.db2.gz IGMZBUHUMJSLLS-AWEZNQCLSA-N 1 2 407.471 0.249 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000439346460 1070263785 /nfs/dbraw/zinc/26/37/85/1070263785.db2.gz IGMZBUHUMJSLLS-CQSZACIVSA-N 1 2 407.471 0.249 20 0 HBADLO COc1ncc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1C(N)=O ZINC000439350453 1070264241 /nfs/dbraw/zinc/26/42/41/1070264241.db2.gz MWLHUMGPBJFVFF-AWEZNQCLSA-N 1 2 405.455 -0.159 20 0 HBADLO COc1ncc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1C(N)=O ZINC000439350455 1070264373 /nfs/dbraw/zinc/26/43/73/1070264373.db2.gz MWLHUMGPBJFVFF-CQSZACIVSA-N 1 2 405.455 -0.159 20 0 HBADLO COCCN(CCO)C(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000439353257 1070264886 /nfs/dbraw/zinc/26/48/86/1070264886.db2.gz QBSKBLZUGTZLPG-UHFFFAOYSA-N 1 2 406.483 -0.244 20 0 HBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000439356131 1070262689 /nfs/dbraw/zinc/26/26/89/1070262689.db2.gz JXNJLYCXGCRNGB-HNNXBMFYSA-N 1 2 406.487 -0.377 20 0 HBADLO CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000439356132 1069537393 /nfs/dbraw/zinc/53/73/93/1069537393.db2.gz JXNJLYCXGCRNGB-OAHLLOKOSA-N 1 2 406.487 -0.377 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1)NC1CC1 ZINC000439358417 1070265219 /nfs/dbraw/zinc/26/52/19/1070265219.db2.gz XDAMWNSJXSVNPT-KRWDZBQOSA-N 1 2 418.498 -0.187 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1)NC1CC1 ZINC000439358419 1070265385 /nfs/dbraw/zinc/26/53/85/1070265385.db2.gz XDAMWNSJXSVNPT-QGZVFWFLSA-N 1 2 418.498 -0.187 20 0 HBADLO COCCN(CCO)C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000439358458 1070265256 /nfs/dbraw/zinc/26/52/56/1070265256.db2.gz YEQYIYJLHFFGTM-UHFFFAOYSA-N 1 2 406.483 -0.244 20 0 HBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cn1 ZINC000439364419 1070266658 /nfs/dbraw/zinc/26/66/58/1070266658.db2.gz IERPYUFUBSXGSB-INIZCTEOSA-N 1 2 406.487 -0.377 20 0 HBADLO CN(C)C(=O)Cn1cc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cn1 ZINC000439364420 1070266561 /nfs/dbraw/zinc/26/65/61/1070266561.db2.gz IERPYUFUBSXGSB-MRXNPFEDSA-N 1 2 406.487 -0.377 20 0 HBADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000439370856 1070264829 /nfs/dbraw/zinc/26/48/29/1070264829.db2.gz OBIFFUKDJGFSDQ-HNNXBMFYSA-N 1 2 410.496 -0.014 20 0 HBADLO NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000439370857 1070264750 /nfs/dbraw/zinc/26/47/50/1070264750.db2.gz OBIFFUKDJGFSDQ-OAHLLOKOSA-N 1 2 410.496 -0.014 20 0 HBADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1C ZINC000439372634 1070265552 /nfs/dbraw/zinc/26/55/52/1070265552.db2.gz RXNZEIIIDHHGJH-HNNXBMFYSA-N 1 2 406.487 -0.411 20 0 HBADLO CNC(=O)Cn1nc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1C ZINC000439372635 1070265349 /nfs/dbraw/zinc/26/53/49/1070265349.db2.gz RXNZEIIIDHHGJH-OAHLLOKOSA-N 1 2 406.487 -0.411 20 0 HBADLO CC(C)[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439388704 1070267758 /nfs/dbraw/zinc/26/77/58/1070267758.db2.gz RPZZCCBDVAACGG-INIZCTEOSA-N 1 2 416.482 -0.609 20 0 HBADLO CC(C)[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000439388705 1070267937 /nfs/dbraw/zinc/26/79/37/1070267937.db2.gz RPZZCCBDVAACGG-MRXNPFEDSA-N 1 2 416.482 -0.609 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC(S(N)(=O)=O)CC3)c2)CC1 ZINC000439392115 1070268218 /nfs/dbraw/zinc/26/82/18/1070268218.db2.gz JXZVQXPBKVSXBN-UHFFFAOYSA-N 1 2 423.539 -0.348 20 0 HBADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439414424 1070271213 /nfs/dbraw/zinc/27/12/13/1070271213.db2.gz WVWDMFUTYRPNFB-AWEZNQCLSA-N 1 2 415.450 -0.849 20 0 HBADLO O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000439414425 1070271370 /nfs/dbraw/zinc/27/13/70/1070271370.db2.gz WVWDMFUTYRPNFB-CQSZACIVSA-N 1 2 415.450 -0.849 20 0 HBADLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439435761 1070273018 /nfs/dbraw/zinc/27/30/18/1070273018.db2.gz VSDQYTCIHGZOFR-CHWSQXEVSA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439435761 1070273005 /nfs/dbraw/zinc/27/30/05/1070273005.db2.gz VSDQYTCIHGZOFR-CHWSQXEVSA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439435762 1070272939 /nfs/dbraw/zinc/27/29/39/1070272939.db2.gz VSDQYTCIHGZOFR-OLZOCXBDSA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439435762 1070272929 /nfs/dbraw/zinc/27/29/29/1070272929.db2.gz VSDQYTCIHGZOFR-OLZOCXBDSA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439435763 1070272822 /nfs/dbraw/zinc/27/28/22/1070272822.db2.gz VSDQYTCIHGZOFR-QWHCGFSZSA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439435763 1070272817 /nfs/dbraw/zinc/27/28/17/1070272817.db2.gz VSDQYTCIHGZOFR-QWHCGFSZSA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439436027 1070272759 /nfs/dbraw/zinc/27/27/59/1070272759.db2.gz VSDQYTCIHGZOFR-STQMWFEESA-N 1 2 416.247 -0.030 20 0 HBADLO O=C1NC[C@H]2C[N@H+](C[C@H](O)COc3cc(F)cc(Br)c3)CCN2C1=O ZINC000439436027 1070272753 /nfs/dbraw/zinc/27/27/53/1070272753.db2.gz VSDQYTCIHGZOFR-STQMWFEESA-N 1 2 416.247 -0.030 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1C ZINC000439447286 1070274819 /nfs/dbraw/zinc/27/48/19/1070274819.db2.gz FXFYDPWKGYDUSX-UHFFFAOYSA-N 1 2 414.470 -0.358 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1C ZINC000439447286 1070274803 /nfs/dbraw/zinc/27/48/03/1070274803.db2.gz FXFYDPWKGYDUSX-UHFFFAOYSA-N 1 2 414.470 -0.358 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000439453117 1070275498 /nfs/dbraw/zinc/27/54/98/1070275498.db2.gz NYQZOZNJJJKENM-HNNXBMFYSA-N 1 2 410.496 -0.608 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000439453118 1070275620 /nfs/dbraw/zinc/27/56/20/1070275620.db2.gz NYQZOZNJJJKENM-OAHLLOKOSA-N 1 2 410.496 -0.608 20 0 HBADLO Cc1cscc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000439477901 1070276322 /nfs/dbraw/zinc/27/63/22/1070276322.db2.gz LMPYUJORYUOKTI-UHFFFAOYSA-N 1 2 415.541 -0.369 20 0 HBADLO Cc1cc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1C ZINC000439478202 1069606635 /nfs/dbraw/zinc/60/66/35/1069606635.db2.gz MMCBWQIYNBOSPR-UHFFFAOYSA-N 1 2 407.500 0.397 20 0 HBADLO O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)N1CC[NH+](CCn2cncn2)CC1 ZINC000439515309 1070279358 /nfs/dbraw/zinc/27/93/58/1070279358.db2.gz PNBSYSUWTPQDLC-MSOLQXFVSA-N 1 2 402.499 -0.137 20 0 HBADLO O=C([C@@H]1CC=CC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCOCC1 ZINC000439515316 1070279513 /nfs/dbraw/zinc/27/95/13/1070279513.db2.gz PNBSYSUWTPQDLC-QZTJIDSGSA-N 1 2 402.499 -0.137 20 0 HBADLO O=C([C@H]1CC=CC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCOCC1 ZINC000439515320 1070279438 /nfs/dbraw/zinc/27/94/38/1070279438.db2.gz PNBSYSUWTPQDLC-ROUUACIJSA-N 1 2 402.499 -0.137 20 0 HBADLO O=C([C@@H]1CC=CC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1)N1CCOCC1 ZINC000439515322 1070279324 /nfs/dbraw/zinc/27/93/24/1070279324.db2.gz PNBSYSUWTPQDLC-ZWKOTPCHSA-N 1 2 402.499 -0.137 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000439529623 1069608200 /nfs/dbraw/zinc/60/82/00/1069608200.db2.gz SJGGOWZTFVGWNQ-DLBZAZTESA-N 1 2 405.499 0.429 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000439529625 1069607312 /nfs/dbraw/zinc/60/73/12/1069607312.db2.gz SJGGOWZTFVGWNQ-IAGOWNOFSA-N 1 2 405.499 0.429 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]([C@H]2CCOC2)C1 ZINC000439529628 1070280450 /nfs/dbraw/zinc/28/04/50/1070280450.db2.gz SJGGOWZTFVGWNQ-IRXDYDNUSA-N 1 2 405.499 0.429 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000439529632 1069607127 /nfs/dbraw/zinc/60/71/27/1069607127.db2.gz SJGGOWZTFVGWNQ-SJORKVTESA-N 1 2 405.499 0.429 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCNC(=O)CC2)CC1 ZINC000439586281 1070288524 /nfs/dbraw/zinc/28/85/24/1070288524.db2.gz 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CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000440270052 1070355378 /nfs/dbraw/zinc/35/53/78/1070355378.db2.gz RWUZCUZPSYOMIL-KRWDZBQOSA-N 1 2 423.539 -0.348 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000440270053 1070355648 /nfs/dbraw/zinc/35/56/48/1070355648.db2.gz RWUZCUZPSYOMIL-QGZVFWFLSA-N 1 2 423.539 -0.348 20 0 HBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000440270398 1070355620 /nfs/dbraw/zinc/35/56/20/1070355620.db2.gz JTZUDXAOAQNTMC-INIZCTEOSA-N 1 2 417.510 -0.150 20 0 HBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000440270398 1070355606 /nfs/dbraw/zinc/35/56/06/1070355606.db2.gz JTZUDXAOAQNTMC-INIZCTEOSA-N 1 2 417.510 -0.150 20 0 HBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000440270399 1070355465 /nfs/dbraw/zinc/35/54/65/1070355465.db2.gz JTZUDXAOAQNTMC-MRXNPFEDSA-N 1 2 417.510 -0.150 20 0 HBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000440270399 1070355450 /nfs/dbraw/zinc/35/54/50/1070355450.db2.gz JTZUDXAOAQNTMC-MRXNPFEDSA-N 1 2 417.510 -0.150 20 0 HBADLO C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000440274254 1070356917 /nfs/dbraw/zinc/35/69/17/1070356917.db2.gz XAXFZSOIHYDUGX-CYBMUJFWSA-N 1 2 402.455 -0.903 20 0 HBADLO C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000440274263 1070356619 /nfs/dbraw/zinc/35/66/19/1070356619.db2.gz XAXFZSOIHYDUGX-ZDUSSCGKSA-N 1 2 402.455 -0.903 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C)C(=O)[C@@H]3C)cc2)CC1 ZINC000440275946 1070357210 /nfs/dbraw/zinc/35/72/10/1070357210.db2.gz LCXRFOQGFSLONJ-HNNXBMFYSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C)C(=O)[C@H]3C)cc2)CC1 ZINC000440275947 1070357409 /nfs/dbraw/zinc/35/74/09/1070357409.db2.gz LCXRFOQGFSLONJ-OAHLLOKOSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC000440277914 1070357105 /nfs/dbraw/zinc/35/71/05/1070357105.db2.gz QKDKFCINKYSBRK-HNNXBMFYSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN(C)C(=O)[C@H]2C)CC1 ZINC000440277917 1070357267 /nfs/dbraw/zinc/35/72/67/1070357267.db2.gz QKDKFCINKYSBRK-OAHLLOKOSA-N 1 2 415.494 -0.022 20 0 HBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000440279149 1070358095 /nfs/dbraw/zinc/35/80/95/1070358095.db2.gz GJTHQYSHAAIHFU-HNNXBMFYSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000440279149 1070358083 /nfs/dbraw/zinc/35/80/83/1070358083.db2.gz GJTHQYSHAAIHFU-HNNXBMFYSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000440279152 1070357726 /nfs/dbraw/zinc/35/77/26/1070357726.db2.gz GJTHQYSHAAIHFU-OAHLLOKOSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 ZINC000440279152 1070357708 /nfs/dbraw/zinc/35/77/08/1070357708.db2.gz GJTHQYSHAAIHFU-OAHLLOKOSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000440279826 1070358613 /nfs/dbraw/zinc/35/86/13/1070358613.db2.gz DJERVPKOFJZTPG-HNNXBMFYSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000440279826 1070358593 /nfs/dbraw/zinc/35/85/93/1070358593.db2.gz DJERVPKOFJZTPG-HNNXBMFYSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000440279830 1070358460 /nfs/dbraw/zinc/35/84/60/1070358460.db2.gz DJERVPKOFJZTPG-OAHLLOKOSA-N 1 2 423.539 -0.276 20 0 HBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000440279830 1070358441 /nfs/dbraw/zinc/35/84/41/1070358441.db2.gz DJERVPKOFJZTPG-OAHLLOKOSA-N 1 2 423.539 -0.276 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440280138 1070358024 /nfs/dbraw/zinc/35/80/24/1070358024.db2.gz IEDGKCZIJOXCSQ-INIZCTEOSA-N 1 2 409.512 -0.738 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2)CC1 ZINC000440280140 1070357774 /nfs/dbraw/zinc/35/77/74/1070357774.db2.gz IEDGKCZIJOXCSQ-MRXNPFEDSA-N 1 2 409.512 -0.738 20 0 HBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000440280314 1070357919 /nfs/dbraw/zinc/35/79/19/1070357919.db2.gz DZJYQFPMVBHWFW-BBRMVZONSA-N 1 2 410.496 -0.092 20 0 HBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000440280317 1070357983 /nfs/dbraw/zinc/35/79/83/1070357983.db2.gz DZJYQFPMVBHWFW-CJNGLKHVSA-N 1 2 410.496 -0.092 20 0 HBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000440280320 1070357673 /nfs/dbraw/zinc/35/76/73/1070357673.db2.gz DZJYQFPMVBHWFW-CZUORRHYSA-N 1 2 410.496 -0.092 20 0 HBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)c1)[NH+]1CCOCC1 ZINC000440280321 1070357948 /nfs/dbraw/zinc/35/79/48/1070357948.db2.gz DZJYQFPMVBHWFW-XJKSGUPXSA-N 1 2 410.496 -0.092 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C)cn2)C[C@H](C)O1 ZINC000440281914 1070361939 /nfs/dbraw/zinc/36/19/39/1070361939.db2.gz IDSKWQGAGRQTRT-KFWWJZLASA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@H+](C)C[C@H]3C)cn2)C[C@H](C)O1 ZINC000440281914 1070361928 /nfs/dbraw/zinc/36/19/28/1070361928.db2.gz IDSKWQGAGRQTRT-KFWWJZLASA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C)cn2)C[C@@H](C)O1 ZINC000440281916 1070362045 /nfs/dbraw/zinc/36/20/45/1070362045.db2.gz IDSKWQGAGRQTRT-RBSFLKMASA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@H+](C)C[C@H]3C)cn2)C[C@@H](C)O1 ZINC000440281916 1070362029 /nfs/dbraw/zinc/36/20/29/1070362029.db2.gz IDSKWQGAGRQTRT-RBSFLKMASA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C)cn2)C[C@@H](C)O1 ZINC000440281917 1070361790 /nfs/dbraw/zinc/36/17/90/1070361790.db2.gz IDSKWQGAGRQTRT-RRFJBIMHSA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C)cn2)C[C@@H](C)O1 ZINC000440281917 1070361773 /nfs/dbraw/zinc/36/17/73/1070361773.db2.gz IDSKWQGAGRQTRT-RRFJBIMHSA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C)cn2)C[C@H](C)O1 ZINC000440281919 1070361857 /nfs/dbraw/zinc/36/18/57/1070361857.db2.gz IDSKWQGAGRQTRT-SOUVJXGZSA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C)cn2)C[C@H](C)O1 ZINC000440281919 1070361843 /nfs/dbraw/zinc/36/18/43/1070361843.db2.gz IDSKWQGAGRQTRT-SOUVJXGZSA-N 1 2 406.487 -0.380 20 0 HBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000440282446 1070358718 /nfs/dbraw/zinc/35/87/18/1070358718.db2.gz MENQRQXPDJWYID-AWEZNQCLSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000440282446 1070358706 /nfs/dbraw/zinc/35/87/06/1070358706.db2.gz MENQRQXPDJWYID-AWEZNQCLSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000440282449 1070358283 /nfs/dbraw/zinc/35/82/83/1070358283.db2.gz MENQRQXPDJWYID-CQSZACIVSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000440282449 1070358266 /nfs/dbraw/zinc/35/82/66/1070358266.db2.gz MENQRQXPDJWYID-CQSZACIVSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440282938 1070361899 /nfs/dbraw/zinc/36/18/99/1070361899.db2.gz KKSJHWLBYKSEPX-AWEZNQCLSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440282938 1070361886 /nfs/dbraw/zinc/36/18/86/1070361886.db2.gz KKSJHWLBYKSEPX-AWEZNQCLSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440282939 1070362192 /nfs/dbraw/zinc/36/21/92/1070362192.db2.gz KKSJHWLBYKSEPX-CQSZACIVSA-N 1 2 410.496 -0.192 20 0 HBADLO C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000440282939 1070362178 /nfs/dbraw/zinc/36/21/78/1070362178.db2.gz KKSJHWLBYKSEPX-CQSZACIVSA-N 1 2 410.496 -0.192 20 0 HBADLO COC(=O)Cc1cccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000440299730 1070361196 /nfs/dbraw/zinc/36/11/96/1070361196.db2.gz YKSUFAJLXCJWLZ-UHFFFAOYSA-N 1 2 415.450 0.508 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C)C(=O)[C@@H]3C)c2)CC1 ZINC000440303712 1070365364 /nfs/dbraw/zinc/36/53/64/1070365364.db2.gz MYUYQHWXLNWIBD-HNNXBMFYSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C)C(=O)[C@H]3C)c2)CC1 ZINC000440303714 1070365210 /nfs/dbraw/zinc/36/52/10/1070365210.db2.gz MYUYQHWXLNWIBD-OAHLLOKOSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(CCO)CCCO)c2)CC1 ZINC000440306579 1070362789 /nfs/dbraw/zinc/36/27/89/1070362789.db2.gz MYSVQAIAXBCIFI-UHFFFAOYSA-N 1 2 406.483 -0.508 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(CCO)CCCO)CC1 ZINC000440312590 1070363944 /nfs/dbraw/zinc/36/39/44/1070363944.db2.gz IMPLANYMKJEAHP-UHFFFAOYSA-N 1 2 406.483 -0.508 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(CCO)CCCO)cc2)CC1 ZINC000440316604 1070364566 /nfs/dbraw/zinc/36/45/66/1070364566.db2.gz SRESREHTTYLOPP-UHFFFAOYSA-N 1 2 406.483 -0.508 20 0 HBADLO NS(=O)(=O)CCN1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000440331940 1070365903 /nfs/dbraw/zinc/36/59/03/1070365903.db2.gz BLSXPLUIXARLBH-UHFFFAOYSA-N 1 2 415.585 -0.702 20 0 HBADLO NS(=O)(=O)CCN1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000440341360 1070368470 /nfs/dbraw/zinc/36/84/70/1070368470.db2.gz MGKBMXGZJZWIFX-UHFFFAOYSA-N 1 2 415.585 -0.702 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000440379186 1070372810 /nfs/dbraw/zinc/37/28/10/1070372810.db2.gz YGCWIOJNUYRYBY-CYBMUJFWSA-N 1 2 411.484 -0.555 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000440379197 1070372463 /nfs/dbraw/zinc/37/24/63/1070372463.db2.gz YGCWIOJNUYRYBY-ZDUSSCGKSA-N 1 2 411.484 -0.555 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)c2)CC1 ZINC000440386964 1070374192 /nfs/dbraw/zinc/37/41/92/1070374192.db2.gz GFLOLWVEIWHKAT-KRWDZBQOSA-N 1 2 423.539 -0.348 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)c2)CC1 ZINC000440386967 1070374012 /nfs/dbraw/zinc/37/40/12/1070374012.db2.gz GFLOLWVEIWHKAT-QGZVFWFLSA-N 1 2 423.539 -0.348 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CCC(=O)NC3=O)cc2)CC1 ZINC000440487996 1070457664 /nfs/dbraw/zinc/45/76/64/1070457664.db2.gz BKSGSFVGOIJPOO-INIZCTEOSA-N 1 2 401.467 -0.316 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CCC(=O)NC3=O)cc2)CC1 ZINC000440487998 1070457629 /nfs/dbraw/zinc/45/76/29/1070457629.db2.gz BKSGSFVGOIJPOO-MRXNPFEDSA-N 1 2 401.467 -0.316 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000440498509 1070477700 /nfs/dbraw/zinc/47/77/00/1070477700.db2.gz YLPMGECRHMSAFA-AWEZNQCLSA-N 1 2 416.525 -0.233 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000440498511 1070477860 /nfs/dbraw/zinc/47/78/60/1070477860.db2.gz YLPMGECRHMSAFA-CQSZACIVSA-N 1 2 416.525 -0.233 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000440498617 1070478504 /nfs/dbraw/zinc/47/85/04/1070478504.db2.gz KKWZAACQRMTMPQ-INIZCTEOSA-N 1 2 403.526 -0.092 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000440498617 1070478499 /nfs/dbraw/zinc/47/84/99/1070478499.db2.gz KKWZAACQRMTMPQ-INIZCTEOSA-N 1 2 403.526 -0.092 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000440498619 1070478546 /nfs/dbraw/zinc/47/85/46/1070478546.db2.gz KKWZAACQRMTMPQ-MRXNPFEDSA-N 1 2 403.526 -0.092 20 0 HBADLO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000440498619 1070478543 /nfs/dbraw/zinc/47/85/43/1070478543.db2.gz KKWZAACQRMTMPQ-MRXNPFEDSA-N 1 2 403.526 -0.092 20 0 HBADLO C[C@H](O)C[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](C)CO ZINC000440507184 1070516459 /nfs/dbraw/zinc/51/64/59/1070516459.db2.gz ACFJNVPPOQRGHW-KBPBESRZSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@H](O)C[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](C)CO ZINC000440507184 1070516450 /nfs/dbraw/zinc/51/64/50/1070516450.db2.gz ACFJNVPPOQRGHW-KBPBESRZSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@H](CO)[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@H](C)O ZINC000440507189 1070516361 /nfs/dbraw/zinc/51/63/61/1070516361.db2.gz ACFJNVPPOQRGHW-KGLIPLIRSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@H](CO)[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C[C@H](C)O ZINC000440507189 1070516350 /nfs/dbraw/zinc/51/63/50/1070516350.db2.gz ACFJNVPPOQRGHW-KGLIPLIRSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](C)CO ZINC000440507194 1070516541 /nfs/dbraw/zinc/51/65/41/1070516541.db2.gz ACFJNVPPOQRGHW-UONOGXRCSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@@H](C)CO ZINC000440507194 1070516539 /nfs/dbraw/zinc/51/65/39/1070516539.db2.gz ACFJNVPPOQRGHW-UONOGXRCSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H](C)CO ZINC000440507196 1070516170 /nfs/dbraw/zinc/51/61/70/1070516170.db2.gz ACFJNVPPOQRGHW-ZIAGYGMSSA-N 1 2 408.542 -0.226 20 0 HBADLO C[C@@H](O)C[N@H+](CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)[C@H](C)CO ZINC000440507196 1070516158 /nfs/dbraw/zinc/51/61/58/1070516158.db2.gz ACFJNVPPOQRGHW-ZIAGYGMSSA-N 1 2 408.542 -0.226 20 0 HBADLO Nc1nsc(N2CC[NH+](C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)n1 ZINC000440576264 1070537037 /nfs/dbraw/zinc/53/70/37/1070537037.db2.gz QGVGZLVLGROXPE-CYBMUJFWSA-N 1 2 403.468 0.120 20 0 HBADLO Nc1nsc(N2CC[NH+](C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)n1 ZINC000440576266 1070536966 /nfs/dbraw/zinc/53/69/66/1070536966.db2.gz QGVGZLVLGROXPE-ZDUSSCGKSA-N 1 2 403.468 0.120 20 0 HBADLO O=C1C(=O)N(Cc2nnn(CC(F)(F)F)n2)C(=O)N1CCC[NH+]1CCOCC1 ZINC000440601989 1070538251 /nfs/dbraw/zinc/53/82/51/1070538251.db2.gz WLCMOYKYLXBWKF-UHFFFAOYSA-N 1 2 405.337 -0.752 20 0 HBADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCc3ccc(O)cc3C2)CC1)N1CCOCC1 ZINC000440662660 1069345423 /nfs/dbraw/zinc/34/54/23/1069345423.db2.gz GMVZEQVPSIOBJO-UHFFFAOYSA-N 1 2 402.495 -0.247 20 0 HBADLO O=C(CN1CCN(C(=O)C[N@H+]2CCc3ccc(O)cc3C2)CC1)N1CCOCC1 ZINC000440662660 1069345408 /nfs/dbraw/zinc/34/54/08/1069345408.db2.gz GMVZEQVPSIOBJO-UHFFFAOYSA-N 1 2 402.495 -0.247 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)CC(C)(CO)CO)CC1 ZINC000440668653 1070543931 /nfs/dbraw/zinc/54/39/31/1070543931.db2.gz GXVJRQYZRNTPLS-UHFFFAOYSA-N 1 2 420.510 -0.262 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC(C)(CO)CO)cc2)CC1 ZINC000440670027 1070543982 /nfs/dbraw/zinc/54/39/82/1070543982.db2.gz UJZOMABOENPEIX-UHFFFAOYSA-N 1 2 420.510 -0.262 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000440681546 1070544587 /nfs/dbraw/zinc/54/45/87/1070544587.db2.gz JQJLHUYOOSKSHW-BBWFWOEESA-N 1 2 413.540 -0.265 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000440681548 1070545166 /nfs/dbraw/zinc/54/51/66/1070545166.db2.gz JQJLHUYOOSKSHW-GVDBMIGSSA-N 1 2 413.540 -0.265 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000440681550 1070544942 /nfs/dbraw/zinc/54/49/42/1070544942.db2.gz JQJLHUYOOSKSHW-ULQDDVLXSA-N 1 2 413.540 -0.265 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000440681552 1070545213 /nfs/dbraw/zinc/54/52/13/1070545213.db2.gz JQJLHUYOOSKSHW-YESZJQIVSA-N 1 2 413.540 -0.265 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCSC[C@@H]3CO)ccn2)CC1 ZINC000440682123 1070547149 /nfs/dbraw/zinc/54/71/49/1070547149.db2.gz VKFINLJMWGOKMG-AWEZNQCLSA-N 1 2 407.496 -0.656 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCSC[C@H]3CO)ccn2)CC1 ZINC000440682124 1070547221 /nfs/dbraw/zinc/54/72/21/1070547221.db2.gz VKFINLJMWGOKMG-CQSZACIVSA-N 1 2 407.496 -0.656 20 0 HBADLO CN1CC[N@@H+](CCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1(C)C ZINC000440683983 1070545073 /nfs/dbraw/zinc/54/50/73/1070545073.db2.gz ZNFYSMOSHSASAS-UHFFFAOYSA-N 1 2 409.556 0.390 20 0 HBADLO CN1CC[N@H+](CCNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1(C)C ZINC000440683983 1070545059 /nfs/dbraw/zinc/54/50/59/1070545059.db2.gz ZNFYSMOSHSASAS-UHFFFAOYSA-N 1 2 409.556 0.390 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CO)c1c(F)cccc1F ZINC000440685223 1070545142 /nfs/dbraw/zinc/54/51/42/1070545142.db2.gz XHGCCHJJYNRVBF-HNNXBMFYSA-N 1 2 423.420 0.282 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)c1c(F)cccc1F ZINC000440685225 1069608940 /nfs/dbraw/zinc/60/89/40/1069608940.db2.gz XHGCCHJJYNRVBF-OAHLLOKOSA-N 1 2 423.420 0.282 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CC(C)(CO)CO)c2)CC1 ZINC000440693371 1070547065 /nfs/dbraw/zinc/54/70/65/1070547065.db2.gz OAFQKWPPFVIPPF-UHFFFAOYSA-N 1 2 420.510 -0.262 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCNC(=O)N(C)C)cc2)CC1 ZINC000440703842 1070548989 /nfs/dbraw/zinc/54/89/89/1070548989.db2.gz JKDJPAFSSFOPLL-UHFFFAOYSA-N 1 2 418.498 -0.323 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCNC(=O)N(C)C)CC1 ZINC000440705215 1070548876 /nfs/dbraw/zinc/54/88/76/1070548876.db2.gz NXVCDWWMUARZJH-UHFFFAOYSA-N 1 2 418.498 -0.323 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNC(=O)N(C)C)c2)CC1 ZINC000440724471 1070550663 /nfs/dbraw/zinc/55/06/63/1070550663.db2.gz BHPABMBWMWLLLS-UHFFFAOYSA-N 1 2 418.498 -0.323 20 0 HBADLO Cn1ncc2c1nnn(CC(=O)N1CC[NH+](Cc3ccc4c(c3)CCO4)CC1)c2=O ZINC000440831031 1070558367 /nfs/dbraw/zinc/55/83/67/1070558367.db2.gz FANHZKGCJNGYBT-UHFFFAOYSA-N 1 2 409.450 -0.196 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CO)c1ccc(F)cc1 ZINC000440894724 1070561391 /nfs/dbraw/zinc/56/13/91/1070561391.db2.gz ZXTDUULNVJVBRG-INIZCTEOSA-N 1 2 405.430 0.143 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)c1ccc(F)cc1 ZINC000440894738 1070561319 /nfs/dbraw/zinc/56/13/19/1070561319.db2.gz ZXTDUULNVJVBRG-MRXNPFEDSA-N 1 2 405.430 0.143 20 0 HBADLO CC[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000440937039 1070563028 /nfs/dbraw/zinc/56/30/28/1070563028.db2.gz DRQDSHUBYGJKSO-KRWDZBQOSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCNC1=O ZINC000440937039 1070563022 /nfs/dbraw/zinc/56/30/22/1070563022.db2.gz DRQDSHUBYGJKSO-KRWDZBQOSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000440937041 1070563114 /nfs/dbraw/zinc/56/31/14/1070563114.db2.gz DRQDSHUBYGJKSO-QGZVFWFLSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@H+](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCNC1=O ZINC000440937041 1070563098 /nfs/dbraw/zinc/56/30/98/1070563098.db2.gz DRQDSHUBYGJKSO-QGZVFWFLSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCNC1=O ZINC000440943419 1070563808 /nfs/dbraw/zinc/56/38/08/1070563808.db2.gz QKXLGJRLZCAZGR-INIZCTEOSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1CCNC1=O ZINC000440943419 1070563793 /nfs/dbraw/zinc/56/37/93/1070563793.db2.gz QKXLGJRLZCAZGR-INIZCTEOSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCNC1=O ZINC000440943420 1070564111 /nfs/dbraw/zinc/56/41/11/1070564111.db2.gz QKXLGJRLZCAZGR-MRXNPFEDSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@H+](CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1CCNC1=O ZINC000440943420 1070564105 /nfs/dbraw/zinc/56/41/05/1070564105.db2.gz QKXLGJRLZCAZGR-MRXNPFEDSA-N 1 2 424.523 -0.466 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCNC1=O ZINC000440943430 1070563956 /nfs/dbraw/zinc/56/39/56/1070563956.db2.gz QPFFAIZSDXXMSB-HNNXBMFYSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCNC1=O ZINC000440943430 1070563945 /nfs/dbraw/zinc/56/39/45/1070563945.db2.gz QPFFAIZSDXXMSB-HNNXBMFYSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCNC1=O ZINC000440943431 1070563665 /nfs/dbraw/zinc/56/36/65/1070563665.db2.gz QPFFAIZSDXXMSB-OAHLLOKOSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCNC1=O ZINC000440943431 1070563657 /nfs/dbraw/zinc/56/36/57/1070563657.db2.gz QPFFAIZSDXXMSB-OAHLLOKOSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCNC1=O ZINC000440944209 1070564047 /nfs/dbraw/zinc/56/40/47/1070564047.db2.gz UYEDMSCXKUCHGB-KRWDZBQOSA-N 1 2 408.524 -0.129 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCNC1=O ZINC000440944209 1070564035 /nfs/dbraw/zinc/56/40/35/1070564035.db2.gz UYEDMSCXKUCHGB-KRWDZBQOSA-N 1 2 408.524 -0.129 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000440944210 1070564009 /nfs/dbraw/zinc/56/40/09/1070564009.db2.gz UYEDMSCXKUCHGB-QGZVFWFLSA-N 1 2 408.524 -0.129 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCNC1=O ZINC000440944210 1070563996 /nfs/dbraw/zinc/56/39/96/1070563996.db2.gz UYEDMSCXKUCHGB-QGZVFWFLSA-N 1 2 408.524 -0.129 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H]1CCNC1=O ZINC000440949948 1070565418 /nfs/dbraw/zinc/56/54/18/1070565418.db2.gz ADOJIAAYDWEKGB-CRAIPNDOSA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@@H]1CCNC1=O ZINC000440949948 1070565407 /nfs/dbraw/zinc/56/54/07/1070565407.db2.gz ADOJIAAYDWEKGB-CRAIPNDOSA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1CCNC1=O ZINC000440949950 1070565243 /nfs/dbraw/zinc/56/52/43/1070565243.db2.gz ADOJIAAYDWEKGB-MAUKXSAKSA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)[C@H]1CCNC1=O ZINC000440949950 1070565229 /nfs/dbraw/zinc/56/52/29/1070565229.db2.gz ADOJIAAYDWEKGB-MAUKXSAKSA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@@H]1CCNC1=O ZINC000440949952 1070565476 /nfs/dbraw/zinc/56/54/76/1070565476.db2.gz ADOJIAAYDWEKGB-QAPCUYQASA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@@H]1CCNC1=O ZINC000440949952 1070565464 /nfs/dbraw/zinc/56/54/64/1070565464.db2.gz ADOJIAAYDWEKGB-QAPCUYQASA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1CCNC1=O ZINC000440949954 1070565295 /nfs/dbraw/zinc/56/52/95/1070565295.db2.gz ADOJIAAYDWEKGB-YJBOKZPZSA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)[C@H]1CCNC1=O ZINC000440949954 1070565286 /nfs/dbraw/zinc/56/52/86/1070565286.db2.gz ADOJIAAYDWEKGB-YJBOKZPZSA-N 1 2 416.478 -0.292 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCNC1=O ZINC000440957666 1070564814 /nfs/dbraw/zinc/56/48/14/1070564814.db2.gz MOLOHZCQDHOKHN-KRWDZBQOSA-N 1 2 424.523 -0.262 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@H]1CCNC1=O ZINC000440957666 1070564806 /nfs/dbraw/zinc/56/48/06/1070564806.db2.gz MOLOHZCQDHOKHN-KRWDZBQOSA-N 1 2 424.523 -0.262 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCNC1=O ZINC000440957670 1070564443 /nfs/dbraw/zinc/56/44/43/1070564443.db2.gz MOLOHZCQDHOKHN-QGZVFWFLSA-N 1 2 424.523 -0.262 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)[C@@H]1CCNC1=O ZINC000440957670 1070564422 /nfs/dbraw/zinc/56/44/22/1070564422.db2.gz MOLOHZCQDHOKHN-QGZVFWFLSA-N 1 2 424.523 -0.262 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@H]1CCNC1=O ZINC000440958359 1070564669 /nfs/dbraw/zinc/56/46/69/1070564669.db2.gz NHXUMAOJEFTRLM-INIZCTEOSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@H]1CCNC1=O ZINC000440958359 1070564658 /nfs/dbraw/zinc/56/46/58/1070564658.db2.gz NHXUMAOJEFTRLM-INIZCTEOSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H]1CCNC1=O ZINC000440958363 1070564612 /nfs/dbraw/zinc/56/46/12/1070564612.db2.gz NHXUMAOJEFTRLM-MRXNPFEDSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)[C@@H]1CCNC1=O ZINC000440958363 1070564600 /nfs/dbraw/zinc/56/46/00/1070564600.db2.gz NHXUMAOJEFTRLM-MRXNPFEDSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC000440958456 1070564842 /nfs/dbraw/zinc/56/48/42/1070564842.db2.gz NPPAKGSMCKFXTP-INIZCTEOSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCNC1=O ZINC000440958456 1070564837 /nfs/dbraw/zinc/56/48/37/1070564837.db2.gz NPPAKGSMCKFXTP-INIZCTEOSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC000440958458 1070564697 /nfs/dbraw/zinc/56/46/97/1070564697.db2.gz NPPAKGSMCKFXTP-MRXNPFEDSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCNC1=O ZINC000440958458 1070564690 /nfs/dbraw/zinc/56/46/90/1070564690.db2.gz NPPAKGSMCKFXTP-MRXNPFEDSA-N 1 2 412.487 -0.131 20 0 HBADLO CC[N@@H+](CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@@H]1CCNC1=O ZINC000440959464 1070564872 /nfs/dbraw/zinc/56/48/72/1070564872.db2.gz PRLMHENWTHDHJR-CYBMUJFWSA-N 1 2 424.502 -0.623 20 0 HBADLO CC[N@H+](CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@@H]1CCNC1=O ZINC000440959464 1070564866 /nfs/dbraw/zinc/56/48/66/1070564866.db2.gz PRLMHENWTHDHJR-CYBMUJFWSA-N 1 2 424.502 -0.623 20 0 HBADLO CC[N@@H+](CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H]1CCNC1=O ZINC000440959473 1070564724 /nfs/dbraw/zinc/56/47/24/1070564724.db2.gz PRLMHENWTHDHJR-ZDUSSCGKSA-N 1 2 424.502 -0.623 20 0 HBADLO CC[N@H+](CC(=O)N(CCOC)c1c(N)n(CC(C)C)c(=O)[nH]c1=O)[C@H]1CCNC1=O ZINC000440959473 1070564717 /nfs/dbraw/zinc/56/47/17/1070564717.db2.gz PRLMHENWTHDHJR-ZDUSSCGKSA-N 1 2 424.502 -0.623 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCNC1=O ZINC000440960515 1070564546 /nfs/dbraw/zinc/56/45/46/1070564546.db2.gz REUAVYJIEDVLLC-AWEZNQCLSA-N 1 2 413.500 -0.665 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@H]1CCNC1=O ZINC000440960515 1070564532 /nfs/dbraw/zinc/56/45/32/1070564532.db2.gz REUAVYJIEDVLLC-AWEZNQCLSA-N 1 2 413.500 -0.665 20 0 HBADLO CC[N@@H+](CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCNC1=O ZINC000440960517 1070564753 /nfs/dbraw/zinc/56/47/53/1070564753.db2.gz REUAVYJIEDVLLC-CQSZACIVSA-N 1 2 413.500 -0.665 20 0 HBADLO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)[C@@H]1CCNC1=O ZINC000440960517 1070564742 /nfs/dbraw/zinc/56/47/42/1070564742.db2.gz REUAVYJIEDVLLC-CQSZACIVSA-N 1 2 413.500 -0.665 20 0 HBADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440977315 1070568075 /nfs/dbraw/zinc/56/80/75/1070568075.db2.gz BQUGDOPRHPSHLS-CYBMUJFWSA-N 1 2 412.874 -0.210 20 0 HBADLO CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440977318 1070568199 /nfs/dbraw/zinc/56/81/99/1070568199.db2.gz BQUGDOPRHPSHLS-ZDUSSCGKSA-N 1 2 412.874 -0.210 20 0 HBADLO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440978364 1070568175 /nfs/dbraw/zinc/56/81/75/1070568175.db2.gz BYTZGEXUSKVLHL-HNNXBMFYSA-N 1 2 408.455 -0.256 20 0 HBADLO COc1cc(NC(C)=O)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440978365 1070567804 /nfs/dbraw/zinc/56/78/04/1070567804.db2.gz BYTZGEXUSKVLHL-OAHLLOKOSA-N 1 2 408.455 -0.256 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000440979087 1070567930 /nfs/dbraw/zinc/56/79/30/1070567930.db2.gz ARXLXEDMGJWAJN-GOSISDBHSA-N 1 2 420.510 -0.391 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000440979089 1070568150 /nfs/dbraw/zinc/56/81/50/1070568150.db2.gz ARXLXEDMGJWAJN-SFHVURJKSA-N 1 2 420.510 -0.391 20 0 HBADLO CCCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440980423 1070568937 /nfs/dbraw/zinc/56/89/37/1070568937.db2.gz FZENMQCPCOLFRA-KRWDZBQOSA-N 1 2 406.483 -0.084 20 0 HBADLO CCCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440980426 1070568502 /nfs/dbraw/zinc/56/85/02/1070568502.db2.gz FZENMQCPCOLFRA-QGZVFWFLSA-N 1 2 406.483 -0.084 20 0 HBADLO Cc1nnc(-c2cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)n1C ZINC000440982173 1070566022 /nfs/dbraw/zinc/56/60/22/1070566022.db2.gz ABNSZUJMFSNKOE-KRWDZBQOSA-N 1 2 416.482 -0.119 20 0 HBADLO Cc1nnc(-c2cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)n1C ZINC000440982178 1070565914 /nfs/dbraw/zinc/56/59/14/1070565914.db2.gz ABNSZUJMFSNKOE-QGZVFWFLSA-N 1 2 416.482 -0.119 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000440982976 1070566453 /nfs/dbraw/zinc/56/64/53/1070566453.db2.gz MMJUJOGGEQOMJJ-GFCCVEGCSA-N 1 2 402.398 -0.185 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccnc1OCC(F)F ZINC000440982980 1070566712 /nfs/dbraw/zinc/56/67/12/1070566712.db2.gz MMJUJOGGEQOMJJ-LBPRGKRZSA-N 1 2 402.398 -0.185 20 0 HBADLO CCOc1cc2c(cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)OCCO2 ZINC000440983147 1070565867 /nfs/dbraw/zinc/56/58/67/1070565867.db2.gz BLJLDXXRAJDINE-AWEZNQCLSA-N 1 2 423.466 -0.054 20 0 HBADLO CCOc1cc2c(cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)OCCO2 ZINC000440983149 1070566547 /nfs/dbraw/zinc/56/65/47/1070566547.db2.gz BLJLDXXRAJDINE-CQSZACIVSA-N 1 2 423.466 -0.054 20 0 HBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440983931 1070566808 /nfs/dbraw/zinc/56/68/08/1070566808.db2.gz CNSJKYMJORMNEH-AWEZNQCLSA-N 1 2 420.445 -0.195 20 0 HBADLO Cc1cn(-c2ncccc2F)nc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440983935 1070566689 /nfs/dbraw/zinc/56/66/89/1070566689.db2.gz CNSJKYMJORMNEH-CQSZACIVSA-N 1 2 420.445 -0.195 20 0 HBADLO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1F ZINC000440984001 1070566471 /nfs/dbraw/zinc/56/64/71/1070566471.db2.gz GERPDDOTLZFRHV-HNNXBMFYSA-N 1 2 413.446 -0.059 20 0 HBADLO COCCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1F ZINC000440984012 1070566397 /nfs/dbraw/zinc/56/63/97/1070566397.db2.gz GERPDDOTLZFRHV-OAHLLOKOSA-N 1 2 413.446 -0.059 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000440984164 1070566656 /nfs/dbraw/zinc/56/66/56/1070566656.db2.gz IJNZDCKXMSHSAG-CVEARBPZSA-N 1 2 407.467 -0.056 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000440984166 1070566609 /nfs/dbraw/zinc/56/66/09/1070566609.db2.gz IJNZDCKXMSHSAG-HOTGVXAUSA-N 1 2 407.467 -0.056 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000440984168 1070566416 /nfs/dbraw/zinc/56/64/16/1070566416.db2.gz IJNZDCKXMSHSAG-HZPDHXFCSA-N 1 2 407.467 -0.056 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000440984169 1070566745 /nfs/dbraw/zinc/56/67/45/1070566745.db2.gz IJNZDCKXMSHSAG-JKSUJKDBSA-N 1 2 407.467 -0.056 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1C(=O)N(C)C ZINC000440984208 1070566491 /nfs/dbraw/zinc/56/64/91/1070566491.db2.gz IOBKCSUMQOKHOW-INIZCTEOSA-N 1 2 406.483 -0.213 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1C(=O)N(C)C ZINC000440984212 1070566589 /nfs/dbraw/zinc/56/65/89/1070566589.db2.gz IOBKCSUMQOKHOW-MRXNPFEDSA-N 1 2 406.483 -0.213 20 0 HBADLO CC(C)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@@H](C)C1=O ZINC000440984852 1070567194 /nfs/dbraw/zinc/56/71/94/1070567194.db2.gz HBKOUBXSUBNGBZ-INIZCTEOSA-N 1 2 420.514 -0.131 20 0 HBADLO CC(C)CN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)[C@H](C)C1=O ZINC000440984856 1070567112 /nfs/dbraw/zinc/56/71/12/1070567112.db2.gz HBKOUBXSUBNGBZ-MRXNPFEDSA-N 1 2 420.514 -0.131 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000440985376 1070577869 /nfs/dbraw/zinc/57/78/69/1070577869.db2.gz DXDOZLMDHDMSHE-CYBMUJFWSA-N 1 2 408.430 -0.200 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000440985377 1070577654 /nfs/dbraw/zinc/57/76/54/1070577654.db2.gz DXDOZLMDHDMSHE-ZDUSSCGKSA-N 1 2 408.430 -0.200 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000440986067 1070567082 /nfs/dbraw/zinc/56/70/82/1070567082.db2.gz FSGZVJXIHMLQMH-AEFFLSMTSA-N 1 2 407.467 -0.056 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000440986068 1070567375 /nfs/dbraw/zinc/56/73/75/1070567375.db2.gz FSGZVJXIHMLQMH-FUHWJXTLSA-N 1 2 407.467 -0.056 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000440986069 1070567214 /nfs/dbraw/zinc/56/72/14/1070567214.db2.gz FSGZVJXIHMLQMH-SJLPKXTDSA-N 1 2 407.467 -0.056 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000440986070 1070567156 /nfs/dbraw/zinc/56/71/56/1070567156.db2.gz FSGZVJXIHMLQMH-WMZOPIPTSA-N 1 2 407.467 -0.056 20 0 HBADLO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cn2)n1 ZINC000440986914 1070572740 /nfs/dbraw/zinc/57/27/40/1070572740.db2.gz OJWHTLIUGOJIML-KRWDZBQOSA-N 1 2 416.482 -0.026 20 0 HBADLO Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cn2)n1 ZINC000440986918 1070572957 /nfs/dbraw/zinc/57/29/57/1070572957.db2.gz OJWHTLIUGOJIML-QGZVFWFLSA-N 1 2 416.482 -0.026 20 0 HBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440987390 1070572703 /nfs/dbraw/zinc/57/27/03/1070572703.db2.gz OWXYAWQNIJFEGH-INIZCTEOSA-N 1 2 422.482 -0.709 20 0 HBADLO CCNC(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440987391 1070572925 /nfs/dbraw/zinc/57/29/25/1070572925.db2.gz OWXYAWQNIJFEGH-MRXNPFEDSA-N 1 2 422.482 -0.709 20 0 HBADLO CCOC(=O)Cc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440987410 1070572847 /nfs/dbraw/zinc/57/28/47/1070572847.db2.gz KEKKVAQHVOFKQV-KRWDZBQOSA-N 1 2 407.467 -0.118 20 0 HBADLO CCOC(=O)Cc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440987412 1070572817 /nfs/dbraw/zinc/57/28/17/1070572817.db2.gz KEKKVAQHVOFKQV-QGZVFWFLSA-N 1 2 407.467 -0.118 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000440989334 1070568821 /nfs/dbraw/zinc/56/88/21/1070568821.db2.gz KTQMTQCUHCHDCX-AWEZNQCLSA-N 1 2 409.439 -0.428 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000440989337 1070568688 /nfs/dbraw/zinc/56/86/88/1070568688.db2.gz KTQMTQCUHCHDCX-CQSZACIVSA-N 1 2 409.439 -0.428 20 0 HBADLO COc1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440989358 1070568460 /nfs/dbraw/zinc/56/84/60/1070568460.db2.gz KVFDJOFEJDNMDT-CYBMUJFWSA-N 1 2 411.455 -0.198 20 0 HBADLO COc1cc(OC)c(OC)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440989361 1070568777 /nfs/dbraw/zinc/56/87/77/1070568777.db2.gz KVFDJOFEJDNMDT-ZDUSSCGKSA-N 1 2 411.455 -0.198 20 0 HBADLO COC(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440989758 1070568903 /nfs/dbraw/zinc/56/89/03/1070568903.db2.gz UALUYDLUVGPKLB-HNNXBMFYSA-N 1 2 409.439 -0.672 20 0 HBADLO COC(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440989762 1070568479 /nfs/dbraw/zinc/56/84/79/1070568479.db2.gz UALUYDLUVGPKLB-OAHLLOKOSA-N 1 2 409.439 -0.672 20 0 HBADLO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000440989987 1070568650 /nfs/dbraw/zinc/56/86/50/1070568650.db2.gz MEAMNUFGTHLFAF-INIZCTEOSA-N 1 2 416.482 -0.026 20 0 HBADLO Cc1nc(C)n(-c2ccccc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000440989990 1070568442 /nfs/dbraw/zinc/56/84/42/1070568442.db2.gz MEAMNUFGTHLFAF-MRXNPFEDSA-N 1 2 416.482 -0.026 20 0 HBADLO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440990037 1070568592 /nfs/dbraw/zinc/56/85/92/1070568592.db2.gz MGVCDJCAUOECGI-INIZCTEOSA-N 1 2 422.482 -0.756 20 0 HBADLO CN(C)C(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440990047 1070568565 /nfs/dbraw/zinc/56/85/65/1070568565.db2.gz MGVCDJCAUOECGI-MRXNPFEDSA-N 1 2 422.482 -0.756 20 0 HBADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440990103 1070568885 /nfs/dbraw/zinc/56/88/85/1070568885.db2.gz UQLYPOBZUTYHMA-INIZCTEOSA-N 1 2 422.482 -0.756 20 0 HBADLO CN(C)C(=O)COc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440990110 1070568856 /nfs/dbraw/zinc/56/88/56/1070568856.db2.gz UQLYPOBZUTYHMA-MRXNPFEDSA-N 1 2 422.482 -0.756 20 0 HBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440990723 1070569182 /nfs/dbraw/zinc/56/91/82/1070569182.db2.gz NRCFBSGUSIKYTE-CYBMUJFWSA-N 1 2 409.439 -0.428 20 0 HBADLO COC(=O)c1cc(OC)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440990724 1070569423 /nfs/dbraw/zinc/56/94/23/1070569423.db2.gz NRCFBSGUSIKYTE-ZDUSSCGKSA-N 1 2 409.439 -0.428 20 0 HBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440991287 1070568960 /nfs/dbraw/zinc/56/89/60/1070568960.db2.gz OHFQGTUPCWLIAJ-INIZCTEOSA-N 1 2 421.498 -0.683 20 0 HBADLO Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440991290 1070569510 /nfs/dbraw/zinc/56/95/10/1070569510.db2.gz OHFQGTUPCWLIAJ-MRXNPFEDSA-N 1 2 421.498 -0.683 20 0 HBADLO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000440991458 1070569599 /nfs/dbraw/zinc/56/95/99/1070569599.db2.gz XMELFXBAXOZQEC-GOSISDBHSA-N 1 2 420.510 -0.078 20 0 HBADLO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000440991630 1070569371 /nfs/dbraw/zinc/56/93/71/1070569371.db2.gz XMELFXBAXOZQEC-SFHVURJKSA-N 1 2 420.510 -0.078 20 0 HBADLO CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440991636 1070569555 /nfs/dbraw/zinc/56/95/55/1070569555.db2.gz XNZLVFBRDGXRNZ-KRWDZBQOSA-N 1 2 406.483 -0.085 20 0 HBADLO CC(C)NC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440991637 1070569267 /nfs/dbraw/zinc/56/92/67/1070569267.db2.gz XNZLVFBRDGXRNZ-QGZVFWFLSA-N 1 2 406.483 -0.085 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000440993277 1070569213 /nfs/dbraw/zinc/56/92/13/1070569213.db2.gz VLLKOZOEOMIQAY-KRWDZBQOSA-N 1 2 402.455 -0.584 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000440993280 1070569341 /nfs/dbraw/zinc/56/93/41/1070569341.db2.gz VLLKOZOEOMIQAY-QGZVFWFLSA-N 1 2 402.455 -0.584 20 0 HBADLO COC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000440993878 1070570263 /nfs/dbraw/zinc/57/02/63/1070570263.db2.gz WTIKHDHHSMVWIO-HNNXBMFYSA-N 1 2 423.466 -0.363 20 0 HBADLO COC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000440993881 1070570183 /nfs/dbraw/zinc/57/01/83/1070570183.db2.gz WTIKHDHHSMVWIO-OAHLLOKOSA-N 1 2 423.466 -0.363 20 0 HBADLO COC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440993949 1070570099 /nfs/dbraw/zinc/57/00/99/1070570099.db2.gz RXBSQMQBSJGFRE-HNNXBMFYSA-N 1 2 409.439 -0.672 20 0 HBADLO COC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440993950 1070570151 /nfs/dbraw/zinc/57/01/51/1070570151.db2.gz RXBSQMQBSJGFRE-OAHLLOKOSA-N 1 2 409.439 -0.672 20 0 HBADLO CCCNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440994173 1070569466 /nfs/dbraw/zinc/56/94/66/1070569466.db2.gz SLELKGZPBANFLN-KRWDZBQOSA-N 1 2 406.483 -0.084 20 0 HBADLO CCCNC(=O)c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440994174 1070570048 /nfs/dbraw/zinc/57/00/48/1070570048.db2.gz SLELKGZPBANFLN-QGZVFWFLSA-N 1 2 406.483 -0.084 20 0 HBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c1OC ZINC000440994289 1070569883 /nfs/dbraw/zinc/56/98/83/1070569883.db2.gz TWOZKRFOVFKBLS-CYBMUJFWSA-N 1 2 411.455 -0.198 20 0 HBADLO COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c1OC ZINC000440994291 1070570123 /nfs/dbraw/zinc/57/01/23/1070570123.db2.gz TWOZKRFOVFKBLS-ZDUSSCGKSA-N 1 2 411.455 -0.198 20 0 HBADLO CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H](C)C1=O ZINC000440994518 1070570850 /nfs/dbraw/zinc/57/08/50/1070570850.db2.gz ULKRCVRBYSXXDQ-INIZCTEOSA-N 1 2 420.514 -0.131 20 0 HBADLO CC(C)CN1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1=O ZINC000440994519 1070570596 /nfs/dbraw/zinc/57/05/96/1070570596.db2.gz ULKRCVRBYSXXDQ-MRXNPFEDSA-N 1 2 420.514 -0.131 20 0 HBADLO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440995014 1070569936 /nfs/dbraw/zinc/56/99/36/1070569936.db2.gz VJZQRUIJZKAWRJ-GOSISDBHSA-N 1 2 420.510 -0.156 20 0 HBADLO CC(C)NC(=O)Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440995018 1070570205 /nfs/dbraw/zinc/57/02/05/1070570205.db2.gz VJZQRUIJZKAWRJ-SFHVURJKSA-N 1 2 420.510 -0.156 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000440995199 1070569821 /nfs/dbraw/zinc/56/98/21/1070569821.db2.gz YVIDVGOOAPIZSU-CYBMUJFWSA-N 1 2 401.261 -0.066 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cncc(Br)c1 ZINC000440995200 1070570017 /nfs/dbraw/zinc/57/00/17/1070570017.db2.gz YVIDVGOOAPIZSU-ZDUSSCGKSA-N 1 2 401.261 -0.066 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000440996529 1070570915 /nfs/dbraw/zinc/57/09/15/1070570915.db2.gz YWPFIPZEXQCBMR-CYBMUJFWSA-N 1 2 404.423 -0.998 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000440996533 1070570728 /nfs/dbraw/zinc/57/07/28/1070570728.db2.gz YWPFIPZEXQCBMR-ZDUSSCGKSA-N 1 2 404.423 -0.998 20 0 HBADLO Cc1nc(-c2cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c2)n[nH]1 ZINC000440996757 1070570935 /nfs/dbraw/zinc/57/09/35/1070570935.db2.gz HSLOLVFJWWBVGG-INIZCTEOSA-N 1 2 402.455 -0.130 20 0 HBADLO Cc1nc(-c2cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c2)n[nH]1 ZINC000440996759 1070570813 /nfs/dbraw/zinc/57/08/13/1070570813.db2.gz HSLOLVFJWWBVGG-MRXNPFEDSA-N 1 2 402.455 -0.130 20 0 HBADLO CC(=O)N1CCc2cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000440997083 1070570866 /nfs/dbraw/zinc/57/08/66/1070570866.db2.gz DJVRTNJTSAWYJA-KRWDZBQOSA-N 1 2 404.467 -0.314 20 0 HBADLO CC(=O)N1CCc2cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000440997085 1070570630 /nfs/dbraw/zinc/57/06/30/1070570630.db2.gz DJVRTNJTSAWYJA-QGZVFWFLSA-N 1 2 404.467 -0.314 20 0 HBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440997351 1070570746 /nfs/dbraw/zinc/57/07/46/1070570746.db2.gz JCDHUGBKTSXWDO-INIZCTEOSA-N 1 2 417.470 -0.550 20 0 HBADLO CCn1nnnc1-c1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440997352 1070570885 /nfs/dbraw/zinc/57/08/85/1070570885.db2.gz JCDHUGBKTSXWDO-MRXNPFEDSA-N 1 2 417.470 -0.550 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1-c1cccc(F)c1 ZINC000440998107 1070571404 /nfs/dbraw/zinc/57/14/04/1070571404.db2.gz HVWYREFKJVGEEK-KRWDZBQOSA-N 1 2 419.457 0.410 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1-c1cccc(F)c1 ZINC000440998108 1070571492 /nfs/dbraw/zinc/57/14/92/1070571492.db2.gz HVWYREFKJVGEEK-QGZVFWFLSA-N 1 2 419.457 0.410 20 0 HBADLO COC(=O)CCc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000440998281 1070571540 /nfs/dbraw/zinc/57/15/40/1070571540.db2.gz MXUCNKNFAFCPDT-KRWDZBQOSA-N 1 2 407.467 -0.118 20 0 HBADLO COC(=O)CCc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000440998282 1070571612 /nfs/dbraw/zinc/57/16/12/1070571612.db2.gz MXUCNKNFAFCPDT-QGZVFWFLSA-N 1 2 407.467 -0.118 20 0 HBADLO COc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000440998376 1070571474 /nfs/dbraw/zinc/57/14/74/1070571474.db2.gz BKDAPIISCGPNQP-AWEZNQCLSA-N 1 2 411.455 -0.198 20 0 HBADLO COc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000440998377 1070571339 /nfs/dbraw/zinc/57/13/39/1070571339.db2.gz BKDAPIISCGPNQP-CQSZACIVSA-N 1 2 411.455 -0.198 20 0 HBADLO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000440999057 1070571571 /nfs/dbraw/zinc/57/15/71/1070571571.db2.gz COGVIMJLZGYYOZ-INIZCTEOSA-N 1 2 406.483 -0.165 20 0 HBADLO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000440999060 1070571272 /nfs/dbraw/zinc/57/12/72/1070571272.db2.gz COGVIMJLZGYYOZ-MRXNPFEDSA-N 1 2 406.483 -0.165 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000440999857 1070571524 /nfs/dbraw/zinc/57/15/24/1070571524.db2.gz MHAUABGFVJCQIM-KRWDZBQOSA-N 1 2 402.455 -0.584 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000440999861 1070571554 /nfs/dbraw/zinc/57/15/54/1070571554.db2.gz MHAUABGFVJCQIM-QGZVFWFLSA-N 1 2 402.455 -0.584 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000441000409 1070571383 /nfs/dbraw/zinc/57/13/83/1070571383.db2.gz DTYBWNKCQWAQAK-GOSISDBHSA-N 1 2 424.473 -0.248 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000441000414 1070571358 /nfs/dbraw/zinc/57/13/58/1070571358.db2.gz DTYBWNKCQWAQAK-SFHVURJKSA-N 1 2 424.473 -0.248 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000441000804 1070571637 /nfs/dbraw/zinc/57/16/37/1070571637.db2.gz NWZNZHAUSPUYEK-KRWDZBQOSA-N 1 2 404.467 -0.331 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000441000807 1070571509 /nfs/dbraw/zinc/57/15/09/1070571509.db2.gz NWZNZHAUSPUYEK-QGZVFWFLSA-N 1 2 404.467 -0.331 20 0 HBADLO COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441001099 1070571588 /nfs/dbraw/zinc/57/15/88/1070571588.db2.gz OJECCAAXAZZHIH-LLVKDONJSA-N 1 2 415.393 -0.159 20 0 HBADLO COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441001101 1070571445 /nfs/dbraw/zinc/57/14/45/1070571445.db2.gz OJECCAAXAZZHIH-NSHDSACASA-N 1 2 415.393 -0.159 20 0 HBADLO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441001798 1070572204 /nfs/dbraw/zinc/57/22/04/1070572204.db2.gz QCZWKGRXLURVKC-HNNXBMFYSA-N 1 2 408.455 -0.256 20 0 HBADLO COc1ccc(NC(C)=O)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441001800 1070572382 /nfs/dbraw/zinc/57/23/82/1070572382.db2.gz QCZWKGRXLURVKC-OAHLLOKOSA-N 1 2 408.455 -0.256 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000441002257 1070572131 /nfs/dbraw/zinc/57/21/31/1070572131.db2.gz RLXHYIQJCDJFJU-KRWDZBQOSA-N 1 2 404.467 -0.331 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000441002260 1070572229 /nfs/dbraw/zinc/57/22/29/1070572229.db2.gz RLXHYIQJCDJFJU-QGZVFWFLSA-N 1 2 404.467 -0.331 20 0 HBADLO CN(C)c1nc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2o1 ZINC000441002579 1070571961 /nfs/dbraw/zinc/57/19/61/1070571961.db2.gz SCCDIYOAEMPCRW-AWEZNQCLSA-N 1 2 405.455 -0.016 20 0 HBADLO CN(C)c1nc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2o1 ZINC000441002581 1070572353 /nfs/dbraw/zinc/57/23/53/1070572353.db2.gz SCCDIYOAEMPCRW-CQSZACIVSA-N 1 2 405.455 -0.016 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000441002923 1070571934 /nfs/dbraw/zinc/57/19/34/1070571934.db2.gz TZRPLZKHQMTGEJ-CYBMUJFWSA-N 1 2 408.480 -0.179 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000441002924 1070572055 /nfs/dbraw/zinc/57/20/55/1070572055.db2.gz TZRPLZKHQMTGEJ-ZDUSSCGKSA-N 1 2 408.480 -0.179 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nn1-c1ccccc1 ZINC000441002939 1070572102 /nfs/dbraw/zinc/57/21/02/1070572102.db2.gz UBDWIPQGUZKRBD-KRWDZBQOSA-N 1 2 401.467 0.271 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nn1-c1ccccc1 ZINC000441002943 1070572160 /nfs/dbraw/zinc/57/21/60/1070572160.db2.gz UBDWIPQGUZKRBD-QGZVFWFLSA-N 1 2 401.467 0.271 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1C(=O)N(C)C ZINC000441003700 1070572012 /nfs/dbraw/zinc/57/20/12/1070572012.db2.gz YSOOUHRSCHZZLY-INIZCTEOSA-N 1 2 406.483 -0.213 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1C(=O)N(C)C ZINC000441003701 1070572253 /nfs/dbraw/zinc/57/22/53/1070572253.db2.gz YSOOUHRSCHZZLY-MRXNPFEDSA-N 1 2 406.483 -0.213 20 0 HBADLO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441004078 1070572073 /nfs/dbraw/zinc/57/20/73/1070572073.db2.gz WOOQHXHKFSVPCI-KRWDZBQOSA-N 1 2 418.494 -0.023 20 0 HBADLO Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441004082 1070571986 /nfs/dbraw/zinc/57/19/86/1070571986.db2.gz WOOQHXHKFSVPCI-QGZVFWFLSA-N 1 2 418.494 -0.023 20 0 HBADLO COc1cc2c(cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)NC(=O)CC2 ZINC000441004579 1070572881 /nfs/dbraw/zinc/57/28/81/1070572881.db2.gz XRIAUODSDKPQDJ-AWEZNQCLSA-N 1 2 420.466 -0.330 20 0 HBADLO COc1cc2c(cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)NC(=O)CC2 ZINC000441004580 1070573039 /nfs/dbraw/zinc/57/30/39/1070573039.db2.gz XRIAUODSDKPQDJ-CQSZACIVSA-N 1 2 420.466 -0.330 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000441005395 1070573007 /nfs/dbraw/zinc/57/30/07/1070573007.db2.gz TWLAKNXOWYAPQC-INIZCTEOSA-N 1 2 402.455 -0.584 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1Cn1cncn1 ZINC000441005939 1070573595 /nfs/dbraw/zinc/57/35/95/1070573595.db2.gz TWLAKNXOWYAPQC-MRXNPFEDSA-N 1 2 402.455 -0.584 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000441006410 1070573414 /nfs/dbraw/zinc/57/34/14/1070573414.db2.gz FBYAKTQCRGLFEX-KRWDZBQOSA-N 1 2 419.482 -0.304 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000441006411 1070573740 /nfs/dbraw/zinc/57/37/40/1070573740.db2.gz FBYAKTQCRGLFEX-QGZVFWFLSA-N 1 2 419.482 -0.304 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1SCCC(N)=O ZINC000441006412 1070573836 /nfs/dbraw/zinc/57/38/36/1070573836.db2.gz FCQAMFUFILUTNU-AWEZNQCLSA-N 1 2 424.523 -0.256 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1SCCC(N)=O ZINC000441006413 1070573522 /nfs/dbraw/zinc/57/35/22/1070573522.db2.gz FCQAMFUFILUTNU-CQSZACIVSA-N 1 2 424.523 -0.256 20 0 HBADLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441006705 1070573766 /nfs/dbraw/zinc/57/37/66/1070573766.db2.gz HJGLOELHAUJJPI-INIZCTEOSA-N 1 2 406.483 -0.213 20 0 HBADLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441006706 1070573687 /nfs/dbraw/zinc/57/36/87/1070573687.db2.gz HJGLOELHAUJJPI-MRXNPFEDSA-N 1 2 406.483 -0.213 20 0 HBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000441006947 1070573442 /nfs/dbraw/zinc/57/34/42/1070573442.db2.gz GKPOTTLUMYTWJG-INIZCTEOSA-N 1 2 422.482 -0.709 20 0 HBADLO CNC(=O)CCOc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000441006949 1070573620 /nfs/dbraw/zinc/57/36/20/1070573620.db2.gz GKPOTTLUMYTWJG-MRXNPFEDSA-N 1 2 422.482 -0.709 20 0 HBADLO CN(C)c1nc2cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)ccc2o1 ZINC000441008836 1070574162 /nfs/dbraw/zinc/57/41/62/1070574162.db2.gz JPYGRPRPPQUGIL-AWEZNQCLSA-N 1 2 405.455 -0.016 20 0 HBADLO CN(C)c1nc2cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)ccc2o1 ZINC000441008838 1070574322 /nfs/dbraw/zinc/57/43/22/1070574322.db2.gz JPYGRPRPPQUGIL-CQSZACIVSA-N 1 2 405.455 -0.016 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000441008893 1070574397 /nfs/dbraw/zinc/57/43/97/1070574397.db2.gz ZGOWNPUUOXTPHM-CYBMUJFWSA-N 1 2 408.430 -0.200 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cc2c(cc1F)CCC(=O)N2 ZINC000441008894 1070574254 /nfs/dbraw/zinc/57/42/54/1070574254.db2.gz ZGOWNPUUOXTPHM-ZDUSSCGKSA-N 1 2 408.430 -0.200 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000441009268 1070573814 /nfs/dbraw/zinc/57/38/14/1070573814.db2.gz LVXBUHABYCTMSI-KRWDZBQOSA-N 1 2 404.467 -0.097 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000441009270 1070574288 /nfs/dbraw/zinc/57/42/88/1070574288.db2.gz LVXBUHABYCTMSI-QGZVFWFLSA-N 1 2 404.467 -0.097 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(F)cc1F ZINC000441009370 1070573568 /nfs/dbraw/zinc/57/35/68/1070573568.db2.gz MBPUGUFDVDRLEI-LLVKDONJSA-N 1 2 415.393 -0.159 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(F)cc1F ZINC000441009374 1070573473 /nfs/dbraw/zinc/57/34/73/1070573473.db2.gz MBPUGUFDVDRLEI-NSHDSACASA-N 1 2 415.393 -0.159 20 0 HBADLO C[C@@H]1Oc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2NC1=O ZINC000441009609 1070574574 /nfs/dbraw/zinc/57/45/74/1070574574.db2.gz MOGGSMNUOLDCGV-GXTWGEPZSA-N 1 2 406.439 -0.504 20 0 HBADLO C[C@@H]1Oc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2NC1=O ZINC000441009610 1070574497 /nfs/dbraw/zinc/57/44/97/1070574497.db2.gz MOGGSMNUOLDCGV-JSGCOSHPSA-N 1 2 406.439 -0.504 20 0 HBADLO C[C@H]1Oc2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2NC1=O ZINC000441009612 1070574216 /nfs/dbraw/zinc/57/42/16/1070574216.db2.gz MOGGSMNUOLDCGV-OCCSQVGLSA-N 1 2 406.439 -0.504 20 0 HBADLO C[C@H]1Oc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2NC1=O ZINC000441009615 1070574120 /nfs/dbraw/zinc/57/41/20/1070574120.db2.gz MOGGSMNUOLDCGV-TZMCWYRMSA-N 1 2 406.439 -0.504 20 0 HBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000441010613 1070574194 /nfs/dbraw/zinc/57/41/94/1070574194.db2.gz OHNPDGPBDXTLKO-INIZCTEOSA-N 1 2 422.482 -0.709 20 0 HBADLO CCNC(=O)COc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000441010615 1070574475 /nfs/dbraw/zinc/57/44/75/1070574475.db2.gz OHNPDGPBDXTLKO-MRXNPFEDSA-N 1 2 422.482 -0.709 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000441011073 1070574553 /nfs/dbraw/zinc/57/45/53/1070574553.db2.gz PJVASSKLKZFIPN-HNNXBMFYSA-N 1 2 403.443 -0.939 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1-n1cnnn1 ZINC000441011077 1070574455 /nfs/dbraw/zinc/57/44/55/1070574455.db2.gz PJVASSKLKZFIPN-OAHLLOKOSA-N 1 2 403.443 -0.939 20 0 HBADLO CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000441011415 1068271346 /nfs/dbraw/zinc/27/13/46/1068271346.db2.gz QBVBTDZOWZWPOK-INIZCTEOSA-N 1 2 406.483 -0.165 20 0 HBADLO CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC000441011417 1068271266 /nfs/dbraw/zinc/27/12/66/1068271266.db2.gz QBVBTDZOWZWPOK-MRXNPFEDSA-N 1 2 406.483 -0.165 20 0 HBADLO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441012412 1070574533 /nfs/dbraw/zinc/57/45/33/1070574533.db2.gz RGBXPGRLXYVPGR-HNNXBMFYSA-N 1 2 417.466 -0.024 20 0 HBADLO Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441012413 1070574369 /nfs/dbraw/zinc/57/43/69/1070574369.db2.gz RGBXPGRLXYVPGR-OAHLLOKOSA-N 1 2 417.466 -0.024 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000441014065 1070575231 /nfs/dbraw/zinc/57/52/31/1070575231.db2.gz VZIOQFMVFBSXRH-KRWDZBQOSA-N 1 2 404.467 -0.097 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000441014066 1070575158 /nfs/dbraw/zinc/57/51/58/1070575158.db2.gz VZIOQFMVFBSXRH-QGZVFWFLSA-N 1 2 404.467 -0.097 20 0 HBADLO Cc1nc(-c2ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)cc2)n[nH]1 ZINC000441015582 1070575071 /nfs/dbraw/zinc/57/50/71/1070575071.db2.gz YUUSCHLQYGCUMD-INIZCTEOSA-N 1 2 402.455 -0.130 20 0 HBADLO Cc1nc(-c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)cc2)n[nH]1 ZINC000441015583 1070575188 /nfs/dbraw/zinc/57/51/88/1070575188.db2.gz YUUSCHLQYGCUMD-MRXNPFEDSA-N 1 2 402.455 -0.130 20 0 HBADLO CCNC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000441015605 1070574884 /nfs/dbraw/zinc/57/48/84/1070574884.db2.gz ZAJOIAUOZJXRPH-INIZCTEOSA-N 1 2 407.471 -0.082 20 0 HBADLO CCNC(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000441015606 1070575003 /nfs/dbraw/zinc/57/50/03/1070575003.db2.gz ZAJOIAUOZJXRPH-MRXNPFEDSA-N 1 2 407.471 -0.082 20 0 HBADLO C[C@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCN1c1nccn2cnnc12 ZINC000441016320 1070575106 /nfs/dbraw/zinc/57/51/06/1070575106.db2.gz MGWFGMIGFRHXPY-INIZCTEOSA-N 1 2 416.530 -0.138 20 0 HBADLO C[C@@H]1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCN1c1nccn2cnnc12 ZINC000441016321 1070574971 /nfs/dbraw/zinc/57/49/71/1070574971.db2.gz MGWFGMIGFRHXPY-MRXNPFEDSA-N 1 2 416.530 -0.138 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000441020555 1070575699 /nfs/dbraw/zinc/57/56/99/1070575699.db2.gz IAOHERGLRGKAOI-HNNXBMFYSA-N 1 2 405.455 -0.480 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(NC(=O)C2CC2)nc1 ZINC000441020556 1070575506 /nfs/dbraw/zinc/57/55/06/1070575506.db2.gz IAOHERGLRGKAOI-OAHLLOKOSA-N 1 2 405.455 -0.480 20 0 HBADLO C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCN1c1nccn2cnnc12 ZINC000441020930 1070575831 /nfs/dbraw/zinc/57/58/31/1070575831.db2.gz PELXUTCLCNQOHC-HNNXBMFYSA-N 1 2 412.498 -0.284 20 0 HBADLO C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCN1c1nccn2cnnc12 ZINC000441020930 1070575816 /nfs/dbraw/zinc/57/58/16/1070575816.db2.gz PELXUTCLCNQOHC-HNNXBMFYSA-N 1 2 412.498 -0.284 20 0 HBADLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCN1c1nccn2cnnc12 ZINC000441020937 1070575735 /nfs/dbraw/zinc/57/57/35/1070575735.db2.gz PELXUTCLCNQOHC-OAHLLOKOSA-N 1 2 412.498 -0.284 20 0 HBADLO C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CCN1c1nccn2cnnc12 ZINC000441020937 1070575726 /nfs/dbraw/zinc/57/57/26/1070575726.db2.gz PELXUTCLCNQOHC-OAHLLOKOSA-N 1 2 412.498 -0.284 20 0 HBADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000441021137 1070574949 /nfs/dbraw/zinc/57/49/49/1070574949.db2.gz JXXHXHWJMOLENK-PBHICJAKSA-N 1 2 422.482 -0.250 20 0 HBADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000441021139 1070575047 /nfs/dbraw/zinc/57/50/47/1070575047.db2.gz JXXHXHWJMOLENK-RHSMWYFYSA-N 1 2 422.482 -0.250 20 0 HBADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000441021141 1070575127 /nfs/dbraw/zinc/57/51/27/1070575127.db2.gz JXXHXHWJMOLENK-WMLDXEAASA-N 1 2 422.482 -0.250 20 0 HBADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000441021144 1070575020 /nfs/dbraw/zinc/57/50/20/1070575020.db2.gz JXXHXHWJMOLENK-YOEHRIQHSA-N 1 2 422.482 -0.250 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000441022475 1070576032 /nfs/dbraw/zinc/57/60/32/1070576032.db2.gz MNGSUMFAVTUPFI-AWEZNQCLSA-N 1 2 406.418 -0.504 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000441022476 1070575922 /nfs/dbraw/zinc/57/59/22/1070575922.db2.gz MNGSUMFAVTUPFI-CQSZACIVSA-N 1 2 406.418 -0.504 20 0 HBADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000441022917 1070575945 /nfs/dbraw/zinc/57/59/45/1070575945.db2.gz NHUVLNUOSGLXPS-AWEZNQCLSA-N 1 2 421.433 -0.800 20 0 HBADLO Cc1nnnn1-c1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000441022919 1070575865 /nfs/dbraw/zinc/57/58/65/1070575865.db2.gz NHUVLNUOSGLXPS-CQSZACIVSA-N 1 2 421.433 -0.800 20 0 HBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441023116 1070575577 /nfs/dbraw/zinc/57/55/77/1070575577.db2.gz CZOCWJWODILCHD-KBPBESRZSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441023116 1070575561 /nfs/dbraw/zinc/57/55/61/1070575561.db2.gz CZOCWJWODILCHD-KBPBESRZSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441023118 1070575769 /nfs/dbraw/zinc/57/57/69/1070575769.db2.gz CZOCWJWODILCHD-KGLIPLIRSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441023118 1070575763 /nfs/dbraw/zinc/57/57/63/1070575763.db2.gz CZOCWJWODILCHD-KGLIPLIRSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441023120 1070575800 /nfs/dbraw/zinc/57/58/00/1070575800.db2.gz CZOCWJWODILCHD-UONOGXRCSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441023120 1070575791 /nfs/dbraw/zinc/57/57/91/1070575791.db2.gz CZOCWJWODILCHD-UONOGXRCSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441023123 1070575621 /nfs/dbraw/zinc/57/56/21/1070575621.db2.gz CZOCWJWODILCHD-ZIAGYGMSSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC(C(N)=O)CC1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441023123 1070575609 /nfs/dbraw/zinc/57/56/09/1070575609.db2.gz CZOCWJWODILCHD-ZIAGYGMSSA-N 1 2 400.487 -0.253 20 0 HBADLO COCCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000441027796 1070577801 /nfs/dbraw/zinc/57/78/01/1070577801.db2.gz VPHWDEFTXUTKSW-HNNXBMFYSA-N 1 2 413.446 -0.059 20 0 HBADLO COCCOc1ccc(F)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000441027799 1070577703 /nfs/dbraw/zinc/57/77/03/1070577703.db2.gz VPHWDEFTXUTKSW-OAHLLOKOSA-N 1 2 413.446 -0.059 20 0 HBADLO CCN1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@@H](C)C1=O ZINC000441028732 1070578403 /nfs/dbraw/zinc/57/84/03/1070578403.db2.gz WUQVXSLOYIEDCH-AWEZNQCLSA-N 1 2 416.482 -0.513 20 0 HBADLO CCN1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)[C@H](C)C1=O ZINC000441028739 1070578680 /nfs/dbraw/zinc/57/86/80/1070578680.db2.gz WUQVXSLOYIEDCH-CQSZACIVSA-N 1 2 416.482 -0.513 20 0 HBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 ZINC000441040036 1070576553 /nfs/dbraw/zinc/57/65/53/1070576553.db2.gz ACWKAUWWCDUQPX-GDBMZVCRSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 ZINC000441040036 1070576548 /nfs/dbraw/zinc/57/65/48/1070576548.db2.gz ACWKAUWWCDUQPX-GDBMZVCRSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 ZINC000441040045 1070576719 /nfs/dbraw/zinc/57/67/19/1070576719.db2.gz ACWKAUWWCDUQPX-GOEBONIOSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 ZINC000441040045 1070576701 /nfs/dbraw/zinc/57/67/01/1070576701.db2.gz ACWKAUWWCDUQPX-GOEBONIOSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 ZINC000441040049 1070576467 /nfs/dbraw/zinc/57/64/67/1070576467.db2.gz ACWKAUWWCDUQPX-HOCLYGCPSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)C1 ZINC000441040049 1070576455 /nfs/dbraw/zinc/57/64/55/1070576455.db2.gz ACWKAUWWCDUQPX-HOCLYGCPSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 ZINC000441040054 1070576338 /nfs/dbraw/zinc/57/63/38/1070576338.db2.gz ACWKAUWWCDUQPX-ZBFHGGJFSA-N 1 2 400.487 -0.238 20 0 HBADLO CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)C1 ZINC000441040054 1070576331 /nfs/dbraw/zinc/57/63/31/1070576331.db2.gz ACWKAUWWCDUQPX-ZBFHGGJFSA-N 1 2 400.487 -0.238 20 0 HBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441041441 1070576520 /nfs/dbraw/zinc/57/65/20/1070576520.db2.gz SIVMOIOHHOUUBG-KFWWJZLASA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441041441 1070576508 /nfs/dbraw/zinc/57/65/08/1070576508.db2.gz SIVMOIOHHOUUBG-KFWWJZLASA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441041445 1070577399 /nfs/dbraw/zinc/57/73/99/1070577399.db2.gz SIVMOIOHHOUUBG-RBSFLKMASA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000441041445 1070577383 /nfs/dbraw/zinc/57/73/83/1070577383.db2.gz SIVMOIOHHOUUBG-RBSFLKMASA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441041448 1070577334 /nfs/dbraw/zinc/57/73/34/1070577334.db2.gz SIVMOIOHHOUUBG-RRFJBIMHSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441041448 1070577314 /nfs/dbraw/zinc/57/73/14/1070577314.db2.gz SIVMOIOHHOUUBG-RRFJBIMHSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441041451 1070577268 /nfs/dbraw/zinc/57/72/68/1070577268.db2.gz SIVMOIOHHOUUBG-ZNMIVQPWSA-N 1 2 400.487 -0.253 20 0 HBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000441041451 1070577256 /nfs/dbraw/zinc/57/72/56/1070577256.db2.gz SIVMOIOHHOUUBG-ZNMIVQPWSA-N 1 2 400.487 -0.253 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000441053791 1070579749 /nfs/dbraw/zinc/57/97/49/1070579749.db2.gz AZVJXOGQBKQVRO-CABCVRRESA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000441053791 1070579735 /nfs/dbraw/zinc/57/97/35/1070579735.db2.gz AZVJXOGQBKQVRO-CABCVRRESA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000441053794 1070579819 /nfs/dbraw/zinc/57/98/19/1070579819.db2.gz AZVJXOGQBKQVRO-GJZGRUSLSA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@H](C)[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000441053794 1070579805 /nfs/dbraw/zinc/57/98/05/1070579805.db2.gz AZVJXOGQBKQVRO-GJZGRUSLSA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000441053797 1070579954 /nfs/dbraw/zinc/57/99/54/1070579954.db2.gz AZVJXOGQBKQVRO-HUUCEWRRSA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000441053797 1070579943 /nfs/dbraw/zinc/57/99/43/1070579943.db2.gz AZVJXOGQBKQVRO-HUUCEWRRSA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000441053801 1070579998 /nfs/dbraw/zinc/57/99/98/1070579998.db2.gz AZVJXOGQBKQVRO-LSDHHAIUSA-N 1 2 400.487 -0.286 20 0 HBADLO CC(=O)N1CCN(C(=O)[C@@H](C)[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000441053801 1070579989 /nfs/dbraw/zinc/57/99/89/1070579989.db2.gz AZVJXOGQBKQVRO-LSDHHAIUSA-N 1 2 400.487 -0.286 20 0 HBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062046 1070578566 /nfs/dbraw/zinc/57/85/66/1070578566.db2.gz MCLWNWBQKPNJCQ-CVEARBPZSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062046 1070578555 /nfs/dbraw/zinc/57/85/55/1070578555.db2.gz MCLWNWBQKPNJCQ-CVEARBPZSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062050 1070578502 /nfs/dbraw/zinc/57/85/02/1070578502.db2.gz MCLWNWBQKPNJCQ-HOTGVXAUSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062050 1070578487 /nfs/dbraw/zinc/57/84/87/1070578487.db2.gz MCLWNWBQKPNJCQ-HOTGVXAUSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062053 1070578318 /nfs/dbraw/zinc/57/83/18/1070578318.db2.gz MCLWNWBQKPNJCQ-HZPDHXFCSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062053 1070578304 /nfs/dbraw/zinc/57/83/04/1070578304.db2.gz MCLWNWBQKPNJCQ-HZPDHXFCSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062056 1070578793 /nfs/dbraw/zinc/57/87/93/1070578793.db2.gz MCLWNWBQKPNJCQ-JKSUJKDBSA-N 1 2 410.544 -0.084 20 0 HBADLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000441062056 1070578785 /nfs/dbraw/zinc/57/87/85/1070578785.db2.gz MCLWNWBQKPNJCQ-JKSUJKDBSA-N 1 2 410.544 -0.084 20 0 HBADLO 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COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000441641167 1070691736 /nfs/dbraw/zinc/69/17/36/1070691736.db2.gz CLWBMAJOLASATQ-DOTOQJQBSA-N 1 2 419.482 -0.058 20 0 HBADLO COC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1C(=O)OC ZINC000441641170 1070691979 /nfs/dbraw/zinc/69/19/79/1070691979.db2.gz CLWBMAJOLASATQ-NVXWUHKLSA-N 1 2 419.482 -0.058 20 0 HBADLO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@H]1C(=O)OC ZINC000441641170 1070691967 /nfs/dbraw/zinc/69/19/67/1070691967.db2.gz CLWBMAJOLASATQ-NVXWUHKLSA-N 1 2 419.482 -0.058 20 0 HBADLO COC(=O)[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1C(=O)OC ZINC000441641173 1070691818 /nfs/dbraw/zinc/69/18/18/1070691818.db2.gz CLWBMAJOLASATQ-RDJZCZTQSA-N 1 2 419.482 -0.058 20 0 HBADLO COC(=O)[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1C(=O)OC ZINC000441641173 1070691808 /nfs/dbraw/zinc/69/18/08/1070691808.db2.gz CLWBMAJOLASATQ-RDJZCZTQSA-N 1 2 419.482 -0.058 20 0 HBADLO COC(=O)[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1C(=O)OC ZINC000441641176 1070692158 /nfs/dbraw/zinc/69/21/58/1070692158.db2.gz CLWBMAJOLASATQ-WBVHZDCISA-N 1 2 419.482 -0.058 20 0 HBADLO COC(=O)[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ncccn3)CC2)[C@@H]1C(=O)OC ZINC000441641176 1070692152 /nfs/dbraw/zinc/69/21/52/1070692152.db2.gz CLWBMAJOLASATQ-WBVHZDCISA-N 1 2 419.482 -0.058 20 0 HBADLO CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441804627 1070717644 /nfs/dbraw/zinc/71/76/44/1070717644.db2.gz VDDUIBKIIPRAHI-GFCCVEGCSA-N 1 2 407.393 -0.075 20 0 HBADLO CCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441804632 1070717872 /nfs/dbraw/zinc/71/78/72/1070717872.db2.gz VDDUIBKIIPRAHI-LBPRGKRZSA-N 1 2 407.393 -0.075 20 0 HBADLO CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441830514 1070784223 /nfs/dbraw/zinc/78/42/23/1070784223.db2.gz YUTRWOYESDOWIM-CYBMUJFWSA-N 1 2 407.393 -0.075 20 0 HBADLO CCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441830516 1070784387 /nfs/dbraw/zinc/78/43/87/1070784387.db2.gz YUTRWOYESDOWIM-ZDUSSCGKSA-N 1 2 407.393 -0.075 20 0 HBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441842304 1070785325 /nfs/dbraw/zinc/78/53/25/1070785325.db2.gz DGGSFPCLHITPKG-INIZCTEOSA-N 1 2 406.487 -0.377 20 0 HBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000441842307 1070785417 /nfs/dbraw/zinc/78/54/17/1070785417.db2.gz DGGSFPCLHITPKG-MRXNPFEDSA-N 1 2 406.487 -0.377 20 0 HBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441855792 1070786700 /nfs/dbraw/zinc/78/67/00/1070786700.db2.gz INCLRNDOIAZIDH-HNNXBMFYSA-N 1 2 406.487 -0.377 20 0 HBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000441855794 1069644720 /nfs/dbraw/zinc/64/47/20/1069644720.db2.gz INCLRNDOIAZIDH-OAHLLOKOSA-N 1 2 406.487 -0.377 20 0 HBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000442018521 1070829749 /nfs/dbraw/zinc/82/97/49/1070829749.db2.gz MXPOLNQMTRHVOZ-BBRMVZONSA-N 1 2 415.450 -0.219 20 0 HBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1)[NH+]1CCOCC1 ZINC000442018528 1070829907 /nfs/dbraw/zinc/82/99/07/1070829907.db2.gz MXPOLNQMTRHVOZ-CJNGLKHVSA-N 1 2 415.450 -0.219 20 0 HBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000442018533 1070830130 /nfs/dbraw/zinc/83/01/30/1070830130.db2.gz MXPOLNQMTRHVOZ-CZUORRHYSA-N 1 2 415.450 -0.219 20 0 HBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1)[NH+]1CCOCC1 ZINC000442018537 1070830386 /nfs/dbraw/zinc/83/03/86/1070830386.db2.gz MXPOLNQMTRHVOZ-XJKSGUPXSA-N 1 2 415.450 -0.219 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC000442026297 1070833906 /nfs/dbraw/zinc/83/39/06/1070833906.db2.gz GLTHKSBWRICEFG-INIZCTEOSA-N 1 2 414.466 -0.865 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC000442026300 1070833725 /nfs/dbraw/zinc/83/37/25/1070833725.db2.gz GLTHKSBWRICEFG-MRXNPFEDSA-N 1 2 414.466 -0.865 20 0 HBADLO NC(=O)C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000442029216 1070835432 /nfs/dbraw/zinc/83/54/32/1070835432.db2.gz JTUHXOOGXIKXTH-INIZCTEOSA-N 1 2 420.514 0.094 20 0 HBADLO NC(=O)C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000442029217 1070835028 /nfs/dbraw/zinc/83/50/28/1070835028.db2.gz JTUHXOOGXIKXTH-MRXNPFEDSA-N 1 2 420.514 0.094 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)[C@@H](C)C1 ZINC000442044503 1070846644 /nfs/dbraw/zinc/84/66/44/1070846644.db2.gz BCWNKXPKWZCLKE-AWEZNQCLSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)[C@@H](C)C1 ZINC000442044503 1070846618 /nfs/dbraw/zinc/84/66/18/1070846618.db2.gz BCWNKXPKWZCLKE-AWEZNQCLSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)[C@H](C)C1 ZINC000442044505 1070847316 /nfs/dbraw/zinc/84/73/16/1070847316.db2.gz BCWNKXPKWZCLKE-CQSZACIVSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)[C@H](C)C1 ZINC000442044505 1070847292 /nfs/dbraw/zinc/84/72/92/1070847292.db2.gz BCWNKXPKWZCLKE-CQSZACIVSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)[C@H](C)C1 ZINC000442052276 1070842008 /nfs/dbraw/zinc/84/20/08/1070842008.db2.gz GJZFBTOFSQWHLX-GFCCVEGCSA-N 1 2 416.434 -0.053 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)[C@H](C)C1 ZINC000442052276 1070841983 /nfs/dbraw/zinc/84/19/83/1070841983.db2.gz GJZFBTOFSQWHLX-GFCCVEGCSA-N 1 2 416.434 -0.053 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C1 ZINC000442052278 1070842208 /nfs/dbraw/zinc/84/22/08/1070842208.db2.gz GJZFBTOFSQWHLX-LBPRGKRZSA-N 1 2 416.434 -0.053 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)[C@@H](C)C1 ZINC000442052278 1070842182 /nfs/dbraw/zinc/84/21/82/1070842182.db2.gz GJZFBTOFSQWHLX-LBPRGKRZSA-N 1 2 416.434 -0.053 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)[C@@H](C)C1 ZINC000442053452 1070842326 /nfs/dbraw/zinc/84/23/26/1070842326.db2.gz HZDYLLNSUAGRDO-AWEZNQCLSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)[C@@H](C)C1 ZINC000442053452 1070842293 /nfs/dbraw/zinc/84/22/93/1070842293.db2.gz HZDYLLNSUAGRDO-AWEZNQCLSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)[C@H](C)C1 ZINC000442053453 1070841737 /nfs/dbraw/zinc/84/17/37/1070841737.db2.gz HZDYLLNSUAGRDO-CQSZACIVSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)[C@H](C)C1 ZINC000442053453 1070841710 /nfs/dbraw/zinc/84/17/10/1070841710.db2.gz HZDYLLNSUAGRDO-CQSZACIVSA-N 1 2 420.466 -0.025 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@H](C)C1 ZINC000442055872 1070842808 /nfs/dbraw/zinc/84/28/08/1070842808.db2.gz LSOXNCACUGCAAN-GFCCVEGCSA-N 1 2 408.459 -0.415 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@H](C)C1 ZINC000442055872 1070842782 /nfs/dbraw/zinc/84/27/82/1070842782.db2.gz LSOXNCACUGCAAN-GFCCVEGCSA-N 1 2 408.459 -0.415 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@@H](C)C1 ZINC000442055873 1070843705 /nfs/dbraw/zinc/84/37/05/1070843705.db2.gz LSOXNCACUGCAAN-LBPRGKRZSA-N 1 2 408.459 -0.415 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2c(OC)ncnc2N(C)C)[C@@H](C)C1 ZINC000442055873 1070843678 /nfs/dbraw/zinc/84/36/78/1070843678.db2.gz LSOXNCACUGCAAN-LBPRGKRZSA-N 1 2 408.459 -0.415 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H](C)C1 ZINC000442056297 1070843496 /nfs/dbraw/zinc/84/34/96/1070843496.db2.gz FGJCUIGIYKNYHE-GFCCVEGCSA-N 1 2 419.417 -0.164 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@H](C)C1 ZINC000442056297 1070843466 /nfs/dbraw/zinc/84/34/66/1070843466.db2.gz FGJCUIGIYKNYHE-GFCCVEGCSA-N 1 2 419.417 -0.164 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H](C)C1 ZINC000442056302 1070843141 /nfs/dbraw/zinc/84/31/41/1070843141.db2.gz FGJCUIGIYKNYHE-LBPRGKRZSA-N 1 2 419.417 -0.164 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H](C)C1 ZINC000442056302 1070843117 /nfs/dbraw/zinc/84/31/17/1070843117.db2.gz FGJCUIGIYKNYHE-LBPRGKRZSA-N 1 2 419.417 -0.164 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)[C@@H](C)C1 ZINC000442056840 1070843018 /nfs/dbraw/zinc/84/30/18/1070843018.db2.gz MVMQEWIKDLTGQR-HNNXBMFYSA-N 1 2 414.466 0.361 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)[C@@H](C)C1 ZINC000442056840 1070842991 /nfs/dbraw/zinc/84/29/91/1070842991.db2.gz MVMQEWIKDLTGQR-HNNXBMFYSA-N 1 2 414.466 0.361 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)[C@H](C)C1 ZINC000442056841 1070843622 /nfs/dbraw/zinc/84/36/22/1070843622.db2.gz MVMQEWIKDLTGQR-OAHLLOKOSA-N 1 2 414.466 0.361 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)[C@H](C)C1 ZINC000442056841 1070843593 /nfs/dbraw/zinc/84/35/93/1070843593.db2.gz MVMQEWIKDLTGQR-OAHLLOKOSA-N 1 2 414.466 0.361 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)[C@H](C)C1 ZINC000442060392 1070844257 /nfs/dbraw/zinc/84/42/57/1070844257.db2.gz RISUZPMLRXFFQC-CYBMUJFWSA-N 1 2 420.470 -0.804 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)[C@H](C)C1 ZINC000442060392 1070844228 /nfs/dbraw/zinc/84/42/28/1070844228.db2.gz RISUZPMLRXFFQC-CYBMUJFWSA-N 1 2 420.470 -0.804 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000442060393 1070844968 /nfs/dbraw/zinc/84/49/68/1070844968.db2.gz RISUZPMLRXFFQC-ZDUSSCGKSA-N 1 2 420.470 -0.804 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000442060393 1070844933 /nfs/dbraw/zinc/84/49/33/1070844933.db2.gz RISUZPMLRXFFQC-ZDUSSCGKSA-N 1 2 420.470 -0.804 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)ccn2)CC1 ZINC000442060401 1070844791 /nfs/dbraw/zinc/84/47/91/1070844791.db2.gz RJXFXICMGLEGGV-HNNXBMFYSA-N 1 2 421.523 -0.266 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CCSC[C@H]3CCO)ccn2)CC1 ZINC000442060402 1070844621 /nfs/dbraw/zinc/84/46/21/1070844621.db2.gz RJXFXICMGLEGGV-OAHLLOKOSA-N 1 2 421.523 -0.266 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H](C)C1 ZINC000442062559 1070845249 /nfs/dbraw/zinc/84/52/49/1070845249.db2.gz WCBOPOBYDLHISV-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)[C@H](C)C1 ZINC000442062559 1070845225 /nfs/dbraw/zinc/84/52/25/1070845225.db2.gz WCBOPOBYDLHISV-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)[C@@H](C)C1 ZINC000442062561 1070845140 /nfs/dbraw/zinc/84/51/40/1070845140.db2.gz WCBOPOBYDLHISV-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)cc2)[C@@H](C)C1 ZINC000442062561 1070845109 /nfs/dbraw/zinc/84/51/09/1070845109.db2.gz WCBOPOBYDLHISV-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](C)C1 ZINC000442062725 1070845929 /nfs/dbraw/zinc/84/59/29/1070845929.db2.gz NPLHGBQKDNRAFD-GFCCVEGCSA-N 1 2 412.468 -0.481 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@H](C)C1 ZINC000442062725 1070845898 /nfs/dbraw/zinc/84/58/98/1070845898.db2.gz NPLHGBQKDNRAFD-GFCCVEGCSA-N 1 2 412.468 -0.481 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H](C)C1 ZINC000442062726 1070845687 /nfs/dbraw/zinc/84/56/87/1070845687.db2.gz NPLHGBQKDNRAFD-LBPRGKRZSA-N 1 2 412.468 -0.481 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)[C@@H](C)C1 ZINC000442062726 1070845660 /nfs/dbraw/zinc/84/56/60/1070845660.db2.gz NPLHGBQKDNRAFD-LBPRGKRZSA-N 1 2 412.468 -0.481 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)[C@@H](C)C1 ZINC000442065092 1070852452 /nfs/dbraw/zinc/85/24/52/1070852452.db2.gz RGCYRWXGUUUBHC-HNNXBMFYSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)[C@@H](C)C1 ZINC000442065092 1070852425 /nfs/dbraw/zinc/85/24/25/1070852425.db2.gz RGCYRWXGUUUBHC-HNNXBMFYSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)[C@H](C)C1 ZINC000442065095 1070852280 /nfs/dbraw/zinc/85/22/80/1070852280.db2.gz RGCYRWXGUUUBHC-OAHLLOKOSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)[C@H](C)C1 ZINC000442065095 1070852249 /nfs/dbraw/zinc/85/22/49/1070852249.db2.gz RGCYRWXGUUUBHC-OAHLLOKOSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000442065277 1070851610 /nfs/dbraw/zinc/85/16/10/1070851610.db2.gz VMKUUICIYKEMJT-GFCCVEGCSA-N 1 2 412.468 -0.632 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@H](C)C1 ZINC000442065277 1070851581 /nfs/dbraw/zinc/85/15/81/1070851581.db2.gz VMKUUICIYKEMJT-GFCCVEGCSA-N 1 2 412.468 -0.632 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000442065278 1070852364 /nfs/dbraw/zinc/85/23/64/1070852364.db2.gz VMKUUICIYKEMJT-LBPRGKRZSA-N 1 2 412.468 -0.632 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)[C@@H](C)C1 ZINC000442065278 1070852340 /nfs/dbraw/zinc/85/23/40/1070852340.db2.gz VMKUUICIYKEMJT-LBPRGKRZSA-N 1 2 412.468 -0.632 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)[C@H](C)C1 ZINC000442067716 1070853450 /nfs/dbraw/zinc/85/34/50/1070853450.db2.gz ANIVDEVIQWTPFM-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)[C@H](C)C1 ZINC000442067716 1070853421 /nfs/dbraw/zinc/85/34/21/1070853421.db2.gz ANIVDEVIQWTPFM-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H](C)C1 ZINC000442067717 1070852853 /nfs/dbraw/zinc/85/28/53/1070852853.db2.gz ANIVDEVIQWTPFM-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2)[C@@H](C)C1 ZINC000442067717 1070852839 /nfs/dbraw/zinc/85/28/39/1070852839.db2.gz ANIVDEVIQWTPFM-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)[C@H](C)C1 ZINC000442068023 1070853523 /nfs/dbraw/zinc/85/35/23/1070853523.db2.gz SDASIKRJTFLPRI-CYBMUJFWSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)[C@H](C)C1 ZINC000442068023 1070853499 /nfs/dbraw/zinc/85/34/99/1070853499.db2.gz SDASIKRJTFLPRI-CYBMUJFWSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000442068026 1070853118 /nfs/dbraw/zinc/85/31/18/1070853118.db2.gz SDASIKRJTFLPRI-ZDUSSCGKSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(OCC(N)=O)cc2)[C@@H](C)C1 ZINC000442068026 1070853093 /nfs/dbraw/zinc/85/30/93/1070853093.db2.gz SDASIKRJTFLPRI-ZDUSSCGKSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)[C@H](C)C1 ZINC000442069281 1070853275 /nfs/dbraw/zinc/85/32/75/1070853275.db2.gz VSUCKIJVMSOIEQ-CYBMUJFWSA-N 1 2 408.459 -0.994 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)[C@H](C)C1 ZINC000442069281 1070853245 /nfs/dbraw/zinc/85/32/45/1070853245.db2.gz VSUCKIJVMSOIEQ-CYBMUJFWSA-N 1 2 408.459 -0.994 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000442069283 1070853188 /nfs/dbraw/zinc/85/31/88/1070853188.db2.gz VSUCKIJVMSOIEQ-ZDUSSCGKSA-N 1 2 408.459 -0.994 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000442069283 1070853165 /nfs/dbraw/zinc/85/31/65/1070853165.db2.gz VSUCKIJVMSOIEQ-ZDUSSCGKSA-N 1 2 408.459 -0.994 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000442070091 1070852667 /nfs/dbraw/zinc/85/26/67/1070852667.db2.gz AHNKLUOOFIBWIP-LLVKDONJSA-N 1 2 405.377 0.480 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000442070091 1070852636 /nfs/dbraw/zinc/85/26/36/1070852636.db2.gz AHNKLUOOFIBWIP-LLVKDONJSA-N 1 2 405.377 0.480 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000442070094 1070853757 /nfs/dbraw/zinc/85/37/57/1070853757.db2.gz AHNKLUOOFIBWIP-NSHDSACASA-N 1 2 405.377 0.480 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000442070094 1070853732 /nfs/dbraw/zinc/85/37/32/1070853732.db2.gz AHNKLUOOFIBWIP-NSHDSACASA-N 1 2 405.377 0.480 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)[C@H](C)C1 ZINC000442072041 1070853682 /nfs/dbraw/zinc/85/36/82/1070853682.db2.gz LCRPKASYBULEMK-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)[C@H](C)C1 ZINC000442072041 1070853653 /nfs/dbraw/zinc/85/36/53/1070853653.db2.gz LCRPKASYBULEMK-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)[C@@H](C)C1 ZINC000442072042 1070853942 /nfs/dbraw/zinc/85/39/42/1070853942.db2.gz LCRPKASYBULEMK-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)[C@@H](C)C1 ZINC000442072042 1070853908 /nfs/dbraw/zinc/85/39/08/1070853908.db2.gz LCRPKASYBULEMK-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)[C@H](C)C1 ZINC000442072679 1070848938 /nfs/dbraw/zinc/84/89/38/1070848938.db2.gz NBUYYHFZPUCZJI-LLVKDONJSA-N 1 2 416.438 -0.304 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)[C@H](C)C1 ZINC000442072679 1070848924 /nfs/dbraw/zinc/84/89/24/1070848924.db2.gz NBUYYHFZPUCZJI-LLVKDONJSA-N 1 2 416.438 -0.304 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)[C@@H](C)C1 ZINC000442072683 1070849183 /nfs/dbraw/zinc/84/91/83/1070849183.db2.gz NBUYYHFZPUCZJI-NSHDSACASA-N 1 2 416.438 -0.304 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)[C@@H](C)C1 ZINC000442072683 1070849150 /nfs/dbraw/zinc/84/91/50/1070849150.db2.gz NBUYYHFZPUCZJI-NSHDSACASA-N 1 2 416.438 -0.304 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)[C@H](C)C1 ZINC000442076958 1070850156 /nfs/dbraw/zinc/85/01/56/1070850156.db2.gz YJFMCHJJGBSXKO-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)[C@H](C)C1 ZINC000442076958 1070850127 /nfs/dbraw/zinc/85/01/27/1070850127.db2.gz YJFMCHJJGBSXKO-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)[C@@H](C)C1 ZINC000442076960 1070850043 /nfs/dbraw/zinc/85/00/43/1070850043.db2.gz YJFMCHJJGBSXKO-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3cncn3)nc2)[C@@H](C)C1 ZINC000442076960 1070850011 /nfs/dbraw/zinc/85/00/11/1070850011.db2.gz YJFMCHJJGBSXKO-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000442079464 1069627468 /nfs/dbraw/zinc/62/74/68/1069627468.db2.gz MPLZIDZWTYYBHA-GFCCVEGCSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000442079464 1069627465 /nfs/dbraw/zinc/62/74/65/1069627465.db2.gz MPLZIDZWTYYBHA-GFCCVEGCSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000442079467 1069627343 /nfs/dbraw/zinc/62/73/43/1069627343.db2.gz MPLZIDZWTYYBHA-LBPRGKRZSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000442079467 1069627339 /nfs/dbraw/zinc/62/73/39/1069627339.db2.gz MPLZIDZWTYYBHA-LBPRGKRZSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000442084194 1069632062 /nfs/dbraw/zinc/63/20/62/1069632062.db2.gz GAVCTSWVEQKBQT-INIZCTEOSA-N 1 2 409.487 -0.192 20 0 HBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000442088400 1070858141 /nfs/dbraw/zinc/85/81/41/1070858141.db2.gz LAVXTZHTZGHXTF-AWEZNQCLSA-N 1 2 420.466 -0.154 20 0 HBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000442088400 1070858116 /nfs/dbraw/zinc/85/81/16/1070858116.db2.gz LAVXTZHTZGHXTF-AWEZNQCLSA-N 1 2 420.466 -0.154 20 0 HBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000442088405 1070857890 /nfs/dbraw/zinc/85/78/90/1070857890.db2.gz LAVXTZHTZGHXTF-CQSZACIVSA-N 1 2 420.466 -0.154 20 0 HBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000442088405 1070857865 /nfs/dbraw/zinc/85/78/65/1070857865.db2.gz LAVXTZHTZGHXTF-CQSZACIVSA-N 1 2 420.466 -0.154 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000442091181 1070854736 /nfs/dbraw/zinc/85/47/36/1070854736.db2.gz WIBSMQIZEQSKIO-CYBMUJFWSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000442091181 1070854706 /nfs/dbraw/zinc/85/47/06/1070854706.db2.gz WIBSMQIZEQSKIO-CYBMUJFWSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000442091185 1070854215 /nfs/dbraw/zinc/85/42/15/1070854215.db2.gz WIBSMQIZEQSKIO-ZDUSSCGKSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000442091185 1070854185 /nfs/dbraw/zinc/85/41/85/1070854185.db2.gz WIBSMQIZEQSKIO-ZDUSSCGKSA-N 1 2 406.439 -0.415 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)[C@@H](C)C1 ZINC000442091426 1070854400 /nfs/dbraw/zinc/85/44/00/1070854400.db2.gz WOPFMZASDSCOFC-HNNXBMFYSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)[C@@H](C)C1 ZINC000442091426 1070854368 /nfs/dbraw/zinc/85/43/68/1070854368.db2.gz WOPFMZASDSCOFC-HNNXBMFYSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)[C@H](C)C1 ZINC000442091432 1070854136 /nfs/dbraw/zinc/85/41/36/1070854136.db2.gz WOPFMZASDSCOFC-OAHLLOKOSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)[C@H](C)C1 ZINC000442091432 1070854111 /nfs/dbraw/zinc/85/41/11/1070854111.db2.gz WOPFMZASDSCOFC-OAHLLOKOSA-N 1 2 419.482 -0.048 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@H](C)C1 ZINC000442093252 1070855227 /nfs/dbraw/zinc/85/52/27/1070855227.db2.gz HCZMMMFSSRTQIY-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@H](C)C1 ZINC000442093252 1070855200 /nfs/dbraw/zinc/85/52/00/1070855200.db2.gz HCZMMMFSSRTQIY-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@@H](C)C1 ZINC000442093256 1070855006 /nfs/dbraw/zinc/85/50/06/1070855006.db2.gz HCZMMMFSSRTQIY-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnn(-c3ncccn3)c2)[C@@H](C)C1 ZINC000442093256 1070854975 /nfs/dbraw/zinc/85/49/75/1070854975.db2.gz HCZMMMFSSRTQIY-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@H](C)C1 ZINC000442095035 1070855817 /nfs/dbraw/zinc/85/58/17/1070855817.db2.gz YPMCSWVKAQHLBZ-GFCCVEGCSA-N 1 2 406.439 -0.172 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@H](C)C1 ZINC000442095035 1070855794 /nfs/dbraw/zinc/85/57/94/1070855794.db2.gz YPMCSWVKAQHLBZ-GFCCVEGCSA-N 1 2 406.439 -0.172 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@@H](C)C1 ZINC000442095036 1070856134 /nfs/dbraw/zinc/85/61/34/1070856134.db2.gz YPMCSWVKAQHLBZ-LBPRGKRZSA-N 1 2 406.439 -0.172 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)[C@@H](C)C1 ZINC000442095036 1070856111 /nfs/dbraw/zinc/85/61/11/1070856111.db2.gz YPMCSWVKAQHLBZ-LBPRGKRZSA-N 1 2 406.439 -0.172 20 0 HBADLO CCOCCO[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000442095363 1070856205 /nfs/dbraw/zinc/85/62/05/1070856205.db2.gz GKNUCLDCJDNMCB-KRWDZBQOSA-N 1 2 409.487 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442096942 1070856991 /nfs/dbraw/zinc/85/69/91/1070856991.db2.gz YYCRGUIFQNVHRD-CVEARBPZSA-N 1 2 406.487 -0.296 20 0 HBADLO NC(=O)[C@H]1CCCCC[C@@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442096943 1070857285 /nfs/dbraw/zinc/85/72/85/1070857285.db2.gz YYCRGUIFQNVHRD-HOTGVXAUSA-N 1 2 406.487 -0.296 20 0 HBADLO NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442096944 1070857477 /nfs/dbraw/zinc/85/74/77/1070857477.db2.gz YYCRGUIFQNVHRD-HZPDHXFCSA-N 1 2 406.487 -0.296 20 0 HBADLO NC(=O)[C@H]1CCCCC[C@H]1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442096945 1070856799 /nfs/dbraw/zinc/85/67/99/1070856799.db2.gz YYCRGUIFQNVHRD-JKSUJKDBSA-N 1 2 406.487 -0.296 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@H](C)C1 ZINC000442097846 1070856677 /nfs/dbraw/zinc/85/66/77/1070856677.db2.gz OVBXLYZUEZQRBQ-CYBMUJFWSA-N 1 2 417.466 -0.089 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@H](C)C1 ZINC000442097846 1070856643 /nfs/dbraw/zinc/85/66/43/1070856643.db2.gz OVBXLYZUEZQRBQ-CYBMUJFWSA-N 1 2 417.466 -0.089 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000442097849 1070857384 /nfs/dbraw/zinc/85/73/84/1070857384.db2.gz OVBXLYZUEZQRBQ-ZDUSSCGKSA-N 1 2 417.466 -0.089 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)[C@@H](C)C1 ZINC000442097849 1070857361 /nfs/dbraw/zinc/85/73/61/1070857361.db2.gz OVBXLYZUEZQRBQ-ZDUSSCGKSA-N 1 2 417.466 -0.089 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000442099947 1070856501 /nfs/dbraw/zinc/85/65/01/1070856501.db2.gz UMRZVJLLKIIIPN-CYBMUJFWSA-N 1 2 405.455 -0.182 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000442099947 1070856472 /nfs/dbraw/zinc/85/64/72/1070856472.db2.gz UMRZVJLLKIIIPN-CYBMUJFWSA-N 1 2 405.455 -0.182 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000442099949 1070857089 /nfs/dbraw/zinc/85/70/89/1070857089.db2.gz UMRZVJLLKIIIPN-ZDUSSCGKSA-N 1 2 405.455 -0.182 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000442099949 1070857069 /nfs/dbraw/zinc/85/70/69/1070857069.db2.gz UMRZVJLLKIIIPN-ZDUSSCGKSA-N 1 2 405.455 -0.182 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)[C@H](C)C1 ZINC000442102951 1070858301 /nfs/dbraw/zinc/85/83/01/1070858301.db2.gz NZSGMHDOHLTWQQ-LLVKDONJSA-N 1 2 407.427 -0.777 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)[C@H](C)C1 ZINC000442102951 1070858281 /nfs/dbraw/zinc/85/82/81/1070858281.db2.gz NZSGMHDOHLTWQQ-LLVKDONJSA-N 1 2 407.427 -0.777 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)[C@@H](C)C1 ZINC000442102952 1070857987 /nfs/dbraw/zinc/85/79/87/1070857987.db2.gz NZSGMHDOHLTWQQ-NSHDSACASA-N 1 2 407.427 -0.777 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)[C@@H](C)C1 ZINC000442102952 1070857968 /nfs/dbraw/zinc/85/79/68/1070857968.db2.gz NZSGMHDOHLTWQQ-NSHDSACASA-N 1 2 407.427 -0.777 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)[C@H](C)C1 ZINC000442108715 1070859163 /nfs/dbraw/zinc/85/91/63/1070859163.db2.gz OBSTUYWXMVDDSL-CABCVRRESA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)[C@H](C)C1 ZINC000442108715 1070859138 /nfs/dbraw/zinc/85/91/38/1070859138.db2.gz OBSTUYWXMVDDSL-CABCVRRESA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000442108718 1070859049 /nfs/dbraw/zinc/85/90/49/1070859049.db2.gz OBSTUYWXMVDDSL-GJZGRUSLSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)[C@@H](C)C1 ZINC000442108718 1070859019 /nfs/dbraw/zinc/85/90/19/1070859019.db2.gz OBSTUYWXMVDDSL-GJZGRUSLSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)[C@H](C)C1 ZINC000442108721 1070859510 /nfs/dbraw/zinc/85/95/10/1070859510.db2.gz OBSTUYWXMVDDSL-HUUCEWRRSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)[C@H](C)C1 ZINC000442108721 1070859488 /nfs/dbraw/zinc/85/94/88/1070859488.db2.gz OBSTUYWXMVDDSL-HUUCEWRRSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)[C@@H](C)C1 ZINC000442108723 1070858902 /nfs/dbraw/zinc/85/89/02/1070858902.db2.gz OBSTUYWXMVDDSL-LSDHHAIUSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)[C@@H](C)C1 ZINC000442108723 1070858882 /nfs/dbraw/zinc/85/88/82/1070858882.db2.gz OBSTUYWXMVDDSL-LSDHHAIUSA-N 1 2 407.471 -0.046 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1ccc(OC2COC2)cc1 ZINC000442124132 1069608926 /nfs/dbraw/zinc/60/89/26/1069608926.db2.gz HDUYGAPFMFUZQG-UHFFFAOYSA-N 1 2 415.450 0.570 20 0 HBADLO CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442150740 1070861780 /nfs/dbraw/zinc/86/17/80/1070861780.db2.gz GWXGRKUBZNHUPL-OAHLLOKOSA-N 1 2 421.498 0.487 20 0 HBADLO COC(=O)Cn1cc(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000442186401 1070863632 /nfs/dbraw/zinc/86/36/32/1070863632.db2.gz GZVBSZRWNTYQOX-UHFFFAOYSA-N 1 2 415.454 -0.409 20 0 HBADLO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442191969 1070865034 /nfs/dbraw/zinc/86/50/34/1070865034.db2.gz IAJJWBPKQOZFTQ-AWEZNQCLSA-N 1 2 408.503 -0.085 20 0 HBADLO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000442191971 1070864550 /nfs/dbraw/zinc/86/45/50/1070864550.db2.gz IAJJWBPKQOZFTQ-CQSZACIVSA-N 1 2 408.503 -0.085 20 0 HBADLO C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442215121 1070869899 /nfs/dbraw/zinc/86/98/99/1070869899.db2.gz MYSRZGJZHZTXNJ-AWEZNQCLSA-N 1 2 408.503 -0.085 20 0 HBADLO C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000442215125 1070869524 /nfs/dbraw/zinc/86/95/24/1070869524.db2.gz MYSRZGJZHZTXNJ-CQSZACIVSA-N 1 2 408.503 -0.085 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)c2)CC1 ZINC000442252015 1070873412 /nfs/dbraw/zinc/87/34/12/1070873412.db2.gz FRJVVRORXMRJKG-MSOLQXFVSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)c2)CC1 ZINC000442252018 1070873521 /nfs/dbraw/zinc/87/35/21/1070873521.db2.gz FRJVVRORXMRJKG-QZTJIDSGSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)c2)CC1 ZINC000442252020 1070873590 /nfs/dbraw/zinc/87/35/90/1070873590.db2.gz FRJVVRORXMRJKG-ROUUACIJSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)c2)CC1 ZINC000442252022 1070873922 /nfs/dbraw/zinc/87/39/22/1070873922.db2.gz FRJVVRORXMRJKG-ZWKOTPCHSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)[C@H]3CCNC3=O)c2)CC1 ZINC000442259076 1070875815 /nfs/dbraw/zinc/87/58/15/1070875815.db2.gz BDXJMNYLYZOMRQ-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)[C@@H]3CCNC3=O)c2)CC1 ZINC000442259077 1070876148 /nfs/dbraw/zinc/87/61/48/1070876148.db2.gz BDXJMNYLYZOMRQ-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442265427 1070878346 /nfs/dbraw/zinc/87/83/46/1070878346.db2.gz JBBFYEZSYWNNFW-GOSISDBHSA-N 1 2 417.510 -0.528 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)CC1 ZINC000442265428 1070877851 /nfs/dbraw/zinc/87/78/51/1070877851.db2.gz JBBFYEZSYWNNFW-SFHVURJKSA-N 1 2 417.510 -0.528 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H]3CO)cc2)CC1 ZINC000442266165 1070878950 /nfs/dbraw/zinc/87/89/50/1070878950.db2.gz JNGMISPLEQOBEM-MSOLQXFVSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@@H]3CO)cc2)CC1 ZINC000442266168 1070878794 /nfs/dbraw/zinc/87/87/94/1070878794.db2.gz JNGMISPLEQOBEM-QZTJIDSGSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@H]3CO)cc2)CC1 ZINC000442266171 1070879570 /nfs/dbraw/zinc/87/95/70/1070879570.db2.gz JNGMISPLEQOBEM-ROUUACIJSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](O)C[C@H]3CO)cc2)CC1 ZINC000442266174 1070879120 /nfs/dbraw/zinc/87/91/20/1070879120.db2.gz JNGMISPLEQOBEM-ZWKOTPCHSA-N 1 2 404.467 -0.757 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](CCOC)C(N)=O)cc2)CC1 ZINC000442276268 1070883312 /nfs/dbraw/zinc/88/33/12/1070883312.db2.gz QAUQLMYJCOBUDO-KRWDZBQOSA-N 1 2 405.499 -0.231 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](CCOC)C(N)=O)cc2)CC1 ZINC000442276275 1070883016 /nfs/dbraw/zinc/88/30/16/1070883016.db2.gz QAUQLMYJCOBUDO-QGZVFWFLSA-N 1 2 405.499 -0.231 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@H]3CCNC3=O)cc2)CC1 ZINC000442276755 1070883260 /nfs/dbraw/zinc/88/32/60/1070883260.db2.gz QUARWJHJNOPIBP-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@@H]3CCNC3=O)cc2)CC1 ZINC000442276759 1070883877 /nfs/dbraw/zinc/88/38/77/1070883877.db2.gz QUARWJHJNOPIBP-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCNC2=O)CC1 ZINC000442276875 1070884196 /nfs/dbraw/zinc/88/41/96/1070884196.db2.gz ARGOHIGMJGJQLW-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)CC1 ZINC000442276878 1070884276 /nfs/dbraw/zinc/88/42/76/1070884276.db2.gz ARGOHIGMJGJQLW-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H](O)C[C@H]2CO)CC1 ZINC000442278662 1070874589 /nfs/dbraw/zinc/87/45/89/1070874589.db2.gz WUZAOCRVHKSRJD-DLBZAZTESA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H](O)C[C@@H]2CO)CC1 ZINC000442278665 1070874501 /nfs/dbraw/zinc/87/45/01/1070874501.db2.gz WUZAOCRVHKSRJD-IAGOWNOFSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](O)C[C@H]2CO)CC1 ZINC000442278668 1070875744 /nfs/dbraw/zinc/87/57/44/1070875744.db2.gz WUZAOCRVHKSRJD-IRXDYDNUSA-N 1 2 404.467 -0.757 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000442278671 1070875700 /nfs/dbraw/zinc/87/57/00/1070875700.db2.gz WUZAOCRVHKSRJD-SJORKVTESA-N 1 2 404.467 -0.757 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc2)CC1 ZINC000442352333 1070897259 /nfs/dbraw/zinc/89/72/59/1070897259.db2.gz PGSVWZACZGEWEB-AWEZNQCLSA-N 1 2 411.528 -0.444 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc2)CC1 ZINC000442352351 1070896701 /nfs/dbraw/zinc/89/67/01/1070896701.db2.gz PGSVWZACZGEWEB-CQSZACIVSA-N 1 2 411.528 -0.444 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H]1C1CCOCC1 ZINC000442391612 1069608098 /nfs/dbraw/zinc/60/80/98/1069608098.db2.gz MNQBXOJWVZSWST-KRWDZBQOSA-N 1 2 405.499 0.571 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H]1C1CCOCC1 ZINC000442391614 1069608272 /nfs/dbraw/zinc/60/82/72/1069608272.db2.gz MNQBXOJWVZSWST-QGZVFWFLSA-N 1 2 405.499 0.571 20 0 HBADLO CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1O ZINC000442414802 1069551979 /nfs/dbraw/zinc/55/19/79/1069551979.db2.gz UTERNBPVBMLFNX-CVEARBPZSA-N 1 2 407.515 0.409 20 0 HBADLO CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1O ZINC000442414808 1069551991 /nfs/dbraw/zinc/55/19/91/1069551991.db2.gz UTERNBPVBMLFNX-HOTGVXAUSA-N 1 2 407.515 0.409 20 0 HBADLO CC(C)(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1O ZINC000442414811 1069551948 /nfs/dbraw/zinc/55/19/48/1069551948.db2.gz UTERNBPVBMLFNX-HZPDHXFCSA-N 1 2 407.515 0.409 20 0 HBADLO CC(C)(C)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1O ZINC000442414814 1070903078 /nfs/dbraw/zinc/90/30/78/1070903078.db2.gz UTERNBPVBMLFNX-JKSUJKDBSA-N 1 2 407.515 0.409 20 0 HBADLO CCOCCOC1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000442427970 1070906087 /nfs/dbraw/zinc/90/60/87/1070906087.db2.gz UIACBBPLPVVKDS-UHFFFAOYSA-N 1 2 419.482 -0.328 20 0 HBADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442526334 1070922034 /nfs/dbraw/zinc/92/20/34/1070922034.db2.gz OJOSMZXFPUTRES-PBHICJAKSA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@@H]1CCNC(=O)[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442526334 1070922014 /nfs/dbraw/zinc/92/20/14/1070922014.db2.gz OJOSMZXFPUTRES-PBHICJAKSA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442526335 1070922243 /nfs/dbraw/zinc/92/22/43/1070922243.db2.gz OJOSMZXFPUTRES-RHSMWYFYSA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442526335 1070922227 /nfs/dbraw/zinc/92/22/27/1070922227.db2.gz OJOSMZXFPUTRES-RHSMWYFYSA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442526336 1070922104 /nfs/dbraw/zinc/92/21/04/1070922104.db2.gz OJOSMZXFPUTRES-WMLDXEAASA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@H]1CCNC(=O)[C@@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442526336 1070922082 /nfs/dbraw/zinc/92/20/82/1070922082.db2.gz OJOSMZXFPUTRES-WMLDXEAASA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@H]1CCNC(=O)[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000442526337 1070921862 /nfs/dbraw/zinc/92/18/62/1070921862.db2.gz OJOSMZXFPUTRES-YOEHRIQHSA-N 1 2 403.487 -0.331 20 0 HBADLO C[C@H]1CCNC(=O)[C@H]1NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000442526337 1070921851 /nfs/dbraw/zinc/92/18/51/1070921851.db2.gz OJOSMZXFPUTRES-YOEHRIQHSA-N 1 2 403.487 -0.331 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(NC(=O)C4CC4)C3)ccn2)CC1 ZINC000442531215 1070922798 /nfs/dbraw/zinc/92/27/98/1070922798.db2.gz TWYXNQAMGJKZCX-UHFFFAOYSA-N 1 2 414.466 -0.855 20 0 HBADLO CO[C@@H](C)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442909963 1070943717 /nfs/dbraw/zinc/94/37/17/1070943717.db2.gz XTJLGMRJADFBHX-AWEZNQCLSA-N 1 2 406.530 -0.512 20 0 HBADLO CO[C@H](C)CS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442909964 1070943836 /nfs/dbraw/zinc/94/38/36/1070943836.db2.gz XTJLGMRJADFBHX-CQSZACIVSA-N 1 2 406.530 -0.512 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000442911098 1070943679 /nfs/dbraw/zinc/94/36/79/1070943679.db2.gz HBAARXCQCXHMHZ-UHFFFAOYSA-N 1 2 404.514 -0.917 20 0 HBADLO C[C@H]1OCC[C@@H]1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442912588 1070944594 /nfs/dbraw/zinc/94/45/94/1070944594.db2.gz KKCCMAGGIAHIIC-CABCVRRESA-N 1 2 418.541 -0.370 20 0 HBADLO C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442912592 1070944489 /nfs/dbraw/zinc/94/44/89/1070944489.db2.gz KKCCMAGGIAHIIC-GJZGRUSLSA-N 1 2 418.541 -0.370 20 0 HBADLO C[C@H]1OCC[C@H]1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442912595 1070944398 /nfs/dbraw/zinc/94/43/98/1070944398.db2.gz KKCCMAGGIAHIIC-HUUCEWRRSA-N 1 2 418.541 -0.370 20 0 HBADLO C[C@@H]1OCC[C@H]1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000442912600 1070944666 /nfs/dbraw/zinc/94/46/66/1070944666.db2.gz KKCCMAGGIAHIIC-LSDHHAIUSA-N 1 2 418.541 -0.370 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000442938750 1070950605 /nfs/dbraw/zinc/95/06/05/1070950605.db2.gz HGVIBCXBRJRPGS-UHFFFAOYSA-N 1 2 418.541 -0.574 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000442954032 1070949698 /nfs/dbraw/zinc/94/96/98/1070949698.db2.gz CQYWTTJFKLPSGQ-AWEZNQCLSA-N 1 2 404.558 -0.244 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000442954033 1070949898 /nfs/dbraw/zinc/94/98/98/1070949898.db2.gz CQYWTTJFKLPSGQ-CQSZACIVSA-N 1 2 404.558 -0.244 20 0 HBADLO CNC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442960385 1070953667 /nfs/dbraw/zinc/95/36/67/1070953667.db2.gz XFQLBQLHEAOXCK-HNNXBMFYSA-N 1 2 405.480 -0.053 20 0 HBADLO CNC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000442960387 1070953638 /nfs/dbraw/zinc/95/36/38/1070953638.db2.gz XFQLBQLHEAOXCK-OAHLLOKOSA-N 1 2 405.480 -0.053 20 0 HBADLO Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1C ZINC000442966723 1070954422 /nfs/dbraw/zinc/95/44/22/1070954422.db2.gz KPIPKAGTTZTLOF-BXWFABGCSA-N 1 2 405.499 -0.145 20 0 HBADLO Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cnn1C ZINC000442966725 1070954125 /nfs/dbraw/zinc/95/41/25/1070954125.db2.gz KPIPKAGTTZTLOF-GJYPPUQNSA-N 1 2 405.499 -0.145 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000443006075 1070959143 /nfs/dbraw/zinc/95/91/43/1070959143.db2.gz HKKCXIQXUKNQEU-UHFFFAOYSA-N 1 2 418.541 -0.621 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000443012416 1070959107 /nfs/dbraw/zinc/95/91/07/1070959107.db2.gz SGUKXRRIFVWWHS-AWEZNQCLSA-N 1 2 403.526 -0.063 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000443012418 1070959042 /nfs/dbraw/zinc/95/90/42/1070959042.db2.gz SGUKXRRIFVWWHS-CQSZACIVSA-N 1 2 403.526 -0.063 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000443016041 1070959888 /nfs/dbraw/zinc/95/98/88/1070959888.db2.gz UVKGTFPIYYBXMB-AWEZNQCLSA-N 1 2 403.526 -0.063 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000443016043 1070959712 /nfs/dbraw/zinc/95/97/12/1070959712.db2.gz UVKGTFPIYYBXMB-CQSZACIVSA-N 1 2 403.526 -0.063 20 0 HBADLO NS(=O)(=O)CCN1CCN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CC1 ZINC000443023159 1070958471 /nfs/dbraw/zinc/95/84/71/1070958471.db2.gz RQQCYYSAIUQGOK-UHFFFAOYSA-N 1 2 413.525 -0.474 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039067 1070963930 /nfs/dbraw/zinc/96/39/30/1070963930.db2.gz ACXYMGCNXOUWGW-AWEZNQCLSA-N 1 2 413.477 -0.108 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000443039068 1070964150 /nfs/dbraw/zinc/96/41/50/1070964150.db2.gz ACXYMGCNXOUWGW-CQSZACIVSA-N 1 2 413.477 -0.108 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C(=O)OC)s1 ZINC000443078975 1070968123 /nfs/dbraw/zinc/96/81/23/1070968123.db2.gz PMFUMKGTKYUJMV-JTQLQIEISA-N 1 2 405.498 -0.155 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C(=O)OC)s1 ZINC000443078975 1070968103 /nfs/dbraw/zinc/96/81/03/1070968103.db2.gz PMFUMKGTKYUJMV-JTQLQIEISA-N 1 2 405.498 -0.155 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C(=O)OC)s1 ZINC000443078977 1070968209 /nfs/dbraw/zinc/96/82/09/1070968209.db2.gz PMFUMKGTKYUJMV-SNVBAGLBSA-N 1 2 405.498 -0.155 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C(=O)OC)s1 ZINC000443078977 1070968205 /nfs/dbraw/zinc/96/82/05/1070968205.db2.gz PMFUMKGTKYUJMV-SNVBAGLBSA-N 1 2 405.498 -0.155 20 0 HBADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000443082016 1070968244 /nfs/dbraw/zinc/96/82/44/1070968244.db2.gz RKRGQIWZIDGRQB-CYBMUJFWSA-N 1 2 401.489 -0.193 20 0 HBADLO CCOC(=O)c1c[nH]nc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000443082016 1070968235 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CNc1nc(N2CCC[C@@H]2C(=O)NC2CC2)nc(N2CCC[C@@H]2C(=O)NC2CC2)[nH+]1 ZINC000443456782 1071020660 /nfs/dbraw/zinc/02/06/60/1071020660.db2.gz WNCIJPXNZUSGQL-HUUCEWRRSA-N 1 2 414.514 -0.170 20 0 HBADLO COc1c(C)c[nH+]c(CN(C)S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1C ZINC000443471656 1071062062 /nfs/dbraw/zinc/06/20/62/1071062062.db2.gz APGCZWHSWRUXBG-UHFFFAOYSA-N 1 2 406.530 -0.039 20 0 HBADLO NS(=O)(=O)[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000443474108 1071061700 /nfs/dbraw/zinc/06/17/00/1071061700.db2.gz JONJOFJTVYONFB-KRWDZBQOSA-N 1 2 412.512 -0.030 20 0 HBADLO NS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1 ZINC000443474109 1071061476 /nfs/dbraw/zinc/06/14/76/1071061476.db2.gz JONJOFJTVYONFB-QGZVFWFLSA-N 1 2 412.512 -0.030 20 0 HBADLO C[C@@H]1C[NH+](C[C@H]2CCCN2S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000443474286 1071061646 /nfs/dbraw/zinc/06/16/46/1071061646.db2.gz HMAZALUMHMZNSH-BZUAXINKSA-N 1 2 424.589 -0.618 20 0 HBADLO C[C@@H]1C[NH+](C[C@@H]2CCCN2S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000443474288 1071061615 /nfs/dbraw/zinc/06/16/15/1071061615.db2.gz HMAZALUMHMZNSH-OAGGEKHMSA-N 1 2 424.589 -0.618 20 0 HBADLO C[C@@H]1C[N@H+](C[C@H]2CCCN2S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443474289 1071061333 /nfs/dbraw/zinc/06/13/33/1071061333.db2.gz HMAZALUMHMZNSH-OWCLPIDISA-N 1 2 424.589 -0.618 20 0 HBADLO C[C@@H]1C[N@@H+](C[C@H]2CCCN2S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443474289 1071061319 /nfs/dbraw/zinc/06/13/19/1071061319.db2.gz HMAZALUMHMZNSH-OWCLPIDISA-N 1 2 424.589 -0.618 20 0 HBADLO C[C@@H]1C[N@H+](C[C@@H]2CCCN2S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443474291 1071061570 /nfs/dbraw/zinc/06/15/70/1071061570.db2.gz HMAZALUMHMZNSH-XHSDSOJGSA-N 1 2 424.589 -0.618 20 0 HBADLO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000443474291 1071061560 /nfs/dbraw/zinc/06/15/60/1071061560.db2.gz HMAZALUMHMZNSH-XHSDSOJGSA-N 1 2 424.589 -0.618 20 0 HBADLO C[C@@H](CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC000443477136 1071065918 /nfs/dbraw/zinc/06/59/18/1071065918.db2.gz RLWSXNWQNYIUHR-AWEZNQCLSA-N 1 2 400.501 -0.126 20 0 HBADLO C[C@H](CNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)S(N)(=O)=O ZINC000443477138 1071065967 /nfs/dbraw/zinc/06/59/67/1071065967.db2.gz RLWSXNWQNYIUHR-CQSZACIVSA-N 1 2 400.501 -0.126 20 0 HBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000443477438 1071066054 /nfs/dbraw/zinc/06/60/54/1071066054.db2.gz QARNOJFWLRDISQ-UHFFFAOYSA-N 1 2 417.488 -0.077 20 0 HBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000443478215 1071066434 /nfs/dbraw/zinc/06/64/34/1071066434.db2.gz ZHGIQYVMVBNVSM-UHFFFAOYSA-N 1 2 417.557 -0.017 20 0 HBADLO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2sccc2C1 ZINC000443482357 1071067991 /nfs/dbraw/zinc/06/79/91/1071067991.db2.gz JMGJOCVDYACMNW-CYBMUJFWSA-N 1 2 422.598 -0.094 20 0 HBADLO C[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2sccc2C1 ZINC000443482357 1071067981 /nfs/dbraw/zinc/06/79/81/1071067981.db2.gz JMGJOCVDYACMNW-CYBMUJFWSA-N 1 2 422.598 -0.094 20 0 HBADLO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@H+]1CCc2sccc2C1 ZINC000443482360 1071068057 /nfs/dbraw/zinc/06/80/57/1071068057.db2.gz JMGJOCVDYACMNW-ZDUSSCGKSA-N 1 2 422.598 -0.094 20 0 HBADLO C[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[N@@H+]1CCc2sccc2C1 ZINC000443482360 1071068040 /nfs/dbraw/zinc/06/80/40/1071068040.db2.gz JMGJOCVDYACMNW-ZDUSSCGKSA-N 1 2 422.598 -0.094 20 0 HBADLO NS(=O)(=O)CC1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000443485961 1071069083 /nfs/dbraw/zinc/06/90/83/1071069083.db2.gz NTKPXYNOGMTELS-INIZCTEOSA-N 1 2 406.574 -0.096 20 0 HBADLO NS(=O)(=O)CC1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000443485962 1071068997 /nfs/dbraw/zinc/06/89/97/1071068997.db2.gz NTKPXYNOGMTELS-MRXNPFEDSA-N 1 2 406.574 -0.096 20 0 HBADLO NS(=O)(=O)CC1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000443489058 1071069735 /nfs/dbraw/zinc/06/97/35/1071069735.db2.gz MQIRBWZVCAQJCF-UHFFFAOYSA-N 1 2 411.532 -0.691 20 0 HBADLO Cc1ccccc1C[NH+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000443529108 1071078699 /nfs/dbraw/zinc/07/86/99/1071078699.db2.gz GIHDTLWTTFVQRM-UHFFFAOYSA-N 1 2 416.569 -0.065 20 0 HBADLO COc1ccccc1[C@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000443530146 1071078728 /nfs/dbraw/zinc/07/87/28/1071078728.db2.gz ISOFXODKWRJWHA-HNNXBMFYSA-N 1 2 420.557 -0.291 20 0 HBADLO COc1ccccc1[C@@H](CNS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000443530147 1071078946 /nfs/dbraw/zinc/07/89/46/1071078946.db2.gz ISOFXODKWRJWHA-OAHLLOKOSA-N 1 2 420.557 -0.291 20 0 HBADLO CS(=O)(=O)N1CCN(S(=O)(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000443531387 1071076779 /nfs/dbraw/zinc/07/67/79/1071076779.db2.gz PURXKLKYJHQCMT-UHFFFAOYSA-N 1 2 403.530 -0.538 20 0 HBADLO Cc1cccc(C[NH+]2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000443534820 1071079037 /nfs/dbraw/zinc/07/90/37/1071079037.db2.gz UKPNHIAASQBEGS-UHFFFAOYSA-N 1 2 416.569 -0.065 20 0 HBADLO C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1CO ZINC000443540174 1071080037 /nfs/dbraw/zinc/08/00/37/1071080037.db2.gz QGKMMMPQWFLPLC-CVEARBPZSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1CO ZINC000443540175 1071080283 /nfs/dbraw/zinc/08/02/83/1071080283.db2.gz QGKMMMPQWFLPLC-HOTGVXAUSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1CO ZINC000443540177 1071079930 /nfs/dbraw/zinc/07/99/30/1071079930.db2.gz QGKMMMPQWFLPLC-HZPDHXFCSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1CO ZINC000443540179 1071080149 /nfs/dbraw/zinc/08/01/49/1071080149.db2.gz QGKMMMPQWFLPLC-JKSUJKDBSA-N 1 2 411.528 -0.054 20 0 HBADLO NS(=O)(=O)C[C@@H]1CCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443586031 1071085362 /nfs/dbraw/zinc/08/53/62/1071085362.db2.gz SNGFXZQNZNXVMW-HNNXBMFYSA-N 1 2 424.527 -0.417 20 0 HBADLO NS(=O)(=O)C[C@H]1CCCN1C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443586032 1071085136 /nfs/dbraw/zinc/08/51/36/1071085136.db2.gz SNGFXZQNZNXVMW-OAHLLOKOSA-N 1 2 424.527 -0.417 20 0 HBADLO O=C(C[N@H+]1CCC[C@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000443604740 1071089196 /nfs/dbraw/zinc/08/91/96/1071089196.db2.gz MCKLAENNLRRHJW-DLBZAZTESA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000443604740 1071089183 /nfs/dbraw/zinc/08/91/83/1071089183.db2.gz MCKLAENNLRRHJW-DLBZAZTESA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000443604742 1071089472 /nfs/dbraw/zinc/08/94/72/1071089472.db2.gz MCKLAENNLRRHJW-IAGOWNOFSA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000443604742 1071089467 /nfs/dbraw/zinc/08/94/67/1071089467.db2.gz MCKLAENNLRRHJW-IAGOWNOFSA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@H+]1CCC[C@H](Cn2ccnn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000443604744 1071089282 /nfs/dbraw/zinc/08/92/82/1071089282.db2.gz MCKLAENNLRRHJW-IRXDYDNUSA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@@H+]1CCC[C@H](Cn2ccnn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000443604744 1071089268 /nfs/dbraw/zinc/08/92/68/1071089268.db2.gz MCKLAENNLRRHJW-IRXDYDNUSA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000443604746 1071089329 /nfs/dbraw/zinc/08/93/29/1071089329.db2.gz MCKLAENNLRRHJW-SJORKVTESA-N 1 2 410.544 -0.679 20 0 HBADLO O=C(C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000443604746 1071089321 /nfs/dbraw/zinc/08/93/21/1071089321.db2.gz MCKLAENNLRRHJW-SJORKVTESA-N 1 2 410.544 -0.679 20 0 HBADLO COCCn1c(N)c(C(=O)CN(C)CC(C)(C)C[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC000443640168 1071093901 /nfs/dbraw/zinc/09/39/01/1071093901.db2.gz MNFRUQLBOKJMCO-UHFFFAOYSA-N 1 2 411.503 -0.350 20 0 HBADLO CC(C)C[C@H](CCO)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000443693097 1071104306 /nfs/dbraw/zinc/10/43/06/1071104306.db2.gz MYYZGIQNQMOFSA-KRWDZBQOSA-N 1 2 419.592 -0.150 20 0 HBADLO CC(C)C[C@@H](CCO)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000443693098 1071104375 /nfs/dbraw/zinc/10/43/75/1071104375.db2.gz MYYZGIQNQMOFSA-QGZVFWFLSA-N 1 2 419.592 -0.150 20 0 HBADLO CCOC(=O)c1cc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1C ZINC000443697784 1069626049 /nfs/dbraw/zinc/62/60/49/1069626049.db2.gz IWYGVZDUXIGXKA-UHFFFAOYSA-N 1 2 418.454 0.308 20 0 HBADLO COCCOCCS(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000443716437 1071110002 /nfs/dbraw/zinc/11/00/02/1071110002.db2.gz IGGUPLPAOTXANO-UHFFFAOYSA-N 1 2 400.501 -0.297 20 0 HBADLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000443726293 1071121379 /nfs/dbraw/zinc/12/13/79/1071121379.db2.gz WLBXUQHWUFVHDT-UHFFFAOYSA-N 1 2 412.578 -0.901 20 0 HBADLO COCCOCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000443753844 1071143018 /nfs/dbraw/zinc/14/30/18/1071143018.db2.gz FFXNIXSARGBEOK-UHFFFAOYSA-N 1 2 415.516 -0.572 20 0 HBADLO COCCOCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000443753844 1071143015 /nfs/dbraw/zinc/14/30/15/1071143015.db2.gz FFXNIXSARGBEOK-UHFFFAOYSA-N 1 2 415.516 -0.572 20 0 HBADLO COC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000443753942 1071142900 /nfs/dbraw/zinc/14/29/00/1071142900.db2.gz FLGWHPPEYCSFSH-GDBMZVCRSA-N 1 2 419.482 -0.330 20 0 HBADLO COC[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000443753943 1071143031 /nfs/dbraw/zinc/14/30/31/1071143031.db2.gz FLGWHPPEYCSFSH-GOEBONIOSA-N 1 2 419.482 -0.330 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@H](C)O1 ZINC000443753944 1071143092 /nfs/dbraw/zinc/14/30/92/1071143092.db2.gz FLGWHPPEYCSFSH-HOCLYGCPSA-N 1 2 419.482 -0.330 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C[C@@H](C)O1 ZINC000443753946 1071142943 /nfs/dbraw/zinc/14/29/43/1071142943.db2.gz FLGWHPPEYCSFSH-ZBFHGGJFSA-N 1 2 419.482 -0.330 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000443764146 1069607255 /nfs/dbraw/zinc/60/72/55/1069607255.db2.gz KSFIBGCULMSCBI-KRWDZBQOSA-N 1 2 405.499 0.571 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000443764147 1071149172 /nfs/dbraw/zinc/14/91/72/1071149172.db2.gz KSFIBGCULMSCBI-QGZVFWFLSA-N 1 2 405.499 0.571 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)NC)cc2)CC1 ZINC000443784036 1071164452 /nfs/dbraw/zinc/16/44/52/1071164452.db2.gz YTFASALTOBNJRD-UHFFFAOYSA-N 1 2 411.528 -0.572 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)cc2)CC1 ZINC000443819121 1071177733 /nfs/dbraw/zinc/17/77/33/1071177733.db2.gz XAHXGLILGWQDQM-CVEARBPZSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc2)CC1 ZINC000443819122 1071177793 /nfs/dbraw/zinc/17/77/93/1071177793.db2.gz XAHXGLILGWQDQM-HOTGVXAUSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)cc2)CC1 ZINC000443819123 1071178577 /nfs/dbraw/zinc/17/85/77/1071178577.db2.gz XAHXGLILGWQDQM-HZPDHXFCSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc2)CC1 ZINC000443819124 1071178647 /nfs/dbraw/zinc/17/86/47/1071178647.db2.gz XAHXGLILGWQDQM-JKSUJKDBSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)CC1 ZINC000443836134 1071182220 /nfs/dbraw/zinc/18/22/20/1071182220.db2.gz GIHQXLJJAHSUGV-CVEARBPZSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)CC1 ZINC000443836136 1071182060 /nfs/dbraw/zinc/18/20/60/1071182060.db2.gz GIHQXLJJAHSUGV-HOTGVXAUSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)CC1 ZINC000443836138 1071182963 /nfs/dbraw/zinc/18/29/63/1071182963.db2.gz GIHQXLJJAHSUGV-HZPDHXFCSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)CC1 ZINC000443836139 1071182756 /nfs/dbraw/zinc/18/27/56/1071182756.db2.gz GIHQXLJJAHSUGV-JKSUJKDBSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO)c2)CC1 ZINC000443845008 1071182937 /nfs/dbraw/zinc/18/29/37/1071182937.db2.gz RSHHWSOAYIXVKH-CVEARBPZSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO)c2)CC1 ZINC000443845010 1071183029 /nfs/dbraw/zinc/18/30/29/1071183029.db2.gz RSHHWSOAYIXVKH-HOTGVXAUSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@H](C)CO)c2)CC1 ZINC000443845011 1071182929 /nfs/dbraw/zinc/18/29/29/1071182929.db2.gz RSHHWSOAYIXVKH-HZPDHXFCSA-N 1 2 420.510 -0.121 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C[C@@H](C)O)[C@@H](C)CO)c2)CC1 ZINC000443845012 1071182808 /nfs/dbraw/zinc/18/28/08/1071182808.db2.gz RSHHWSOAYIXVKH-JKSUJKDBSA-N 1 2 420.510 -0.121 20 0 HBADLO NS(=O)(=O)C1CC[NH+](Cc2ccccc2S(=O)(=O)N2CCOCC2)CC1 ZINC000443848283 1071183733 /nfs/dbraw/zinc/18/37/33/1071183733.db2.gz AABLBMMWHWUUMD-UHFFFAOYSA-N 1 2 403.526 -0.040 20 0 HBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000443888750 1071188145 /nfs/dbraw/zinc/18/81/45/1071188145.db2.gz LPTNXXBQKATPME-DLBZAZTESA-N 1 2 404.515 -0.193 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000443888752 1071188104 /nfs/dbraw/zinc/18/81/04/1071188104.db2.gz LPTNXXBQKATPME-IAGOWNOFSA-N 1 2 404.515 -0.193 20 0 HBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000443888754 1071188224 /nfs/dbraw/zinc/18/82/24/1071188224.db2.gz LPTNXXBQKATPME-IRXDYDNUSA-N 1 2 404.515 -0.193 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000443888755 1071188077 /nfs/dbraw/zinc/18/80/77/1071188077.db2.gz LPTNXXBQKATPME-SJORKVTESA-N 1 2 404.515 -0.193 20 0 HBADLO COCCNC(=O)c1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000443890510 1071188781 /nfs/dbraw/zinc/18/87/81/1071188781.db2.gz AKXCNWXAXQDUOX-INIZCTEOSA-N 1 2 405.499 -0.173 20 0 HBADLO COCCNC(=O)c1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCOCC3)CC2)nc1 ZINC000443890511 1071188629 /nfs/dbraw/zinc/18/86/29/1071188629.db2.gz AKXCNWXAXQDUOX-MRXNPFEDSA-N 1 2 405.499 -0.173 20 0 HBADLO C[C@@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000443897529 1071187214 /nfs/dbraw/zinc/18/72/14/1071187214.db2.gz OHJLVSZNPDKFTM-CYBMUJFWSA-N 1 2 400.501 -0.604 20 0 HBADLO C[C@H](NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1([NH+]2CCOCC2)CCCC1 ZINC000443897535 1071187048 /nfs/dbraw/zinc/18/70/48/1071187048.db2.gz OHJLVSZNPDKFTM-ZDUSSCGKSA-N 1 2 400.501 -0.604 20 0 HBADLO CC(C)(CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCS(=O)CC1 ZINC000443920422 1069555498 /nfs/dbraw/zinc/55/54/98/1069555498.db2.gz PSWKCDQLHZPZFC-UHFFFAOYSA-N 1 2 412.560 0.180 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(F)F ZINC000443934270 1071190292 /nfs/dbraw/zinc/19/02/92/1071190292.db2.gz IITJDSDHZKPEJK-UHFFFAOYSA-N 1 2 405.427 -0.969 20 0 HBADLO CCOC1CC(CNS(=O)(=O)CCC[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000443958312 1071192685 /nfs/dbraw/zinc/19/26/85/1071192685.db2.gz FKYBVLATBCOHDX-UHFFFAOYSA-N 1 2 405.561 -0.102 20 0 HBADLO CN1CCN(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000444009207 1071200452 /nfs/dbraw/zinc/20/04/52/1071200452.db2.gz LKMGTLARQYLSDX-INIZCTEOSA-N 1 2 417.514 -0.828 20 0 HBADLO CN1CCN(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000444009207 1071200443 /nfs/dbraw/zinc/20/04/43/1071200443.db2.gz LKMGTLARQYLSDX-INIZCTEOSA-N 1 2 417.514 -0.828 20 0 HBADLO CN1CCN(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000444009211 1071200564 /nfs/dbraw/zinc/20/05/64/1071200564.db2.gz LKMGTLARQYLSDX-MRXNPFEDSA-N 1 2 417.514 -0.828 20 0 HBADLO CN1CCN(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000444009211 1071200562 /nfs/dbraw/zinc/20/05/62/1071200562.db2.gz LKMGTLARQYLSDX-MRXNPFEDSA-N 1 2 417.514 -0.828 20 0 HBADLO Cn1cc(-c2nn(C)cc2C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000444031208 1071203271 /nfs/dbraw/zinc/20/32/71/1071203271.db2.gz MUUAUBSMTUCQIU-HNNXBMFYSA-N 1 2 401.471 -0.517 20 0 HBADLO Cn1cc(-c2nn(C)cc2C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000444031209 1071203410 /nfs/dbraw/zinc/20/34/10/1071203410.db2.gz MUUAUBSMTUCQIU-OAHLLOKOSA-N 1 2 401.471 -0.517 20 0 HBADLO CCOC1CC(CNC(=O)NC2CCN(S(C)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC000444041485 1071208039 /nfs/dbraw/zinc/20/80/39/1071208039.db2.gz BBINYSBDVNCUPJ-UHFFFAOYSA-N 1 2 418.560 -0.021 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000444059756 1071210816 /nfs/dbraw/zinc/21/08/16/1071210816.db2.gz VRXJWNJQLNCLPC-UHFFFAOYSA-N 1 2 418.541 -0.574 20 0 HBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444067616 1071212287 /nfs/dbraw/zinc/21/22/87/1071212287.db2.gz ABPKOROKAVKJFJ-AWEZNQCLSA-N 1 2 402.542 -0.349 20 0 HBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444067616 1071212282 /nfs/dbraw/zinc/21/22/82/1071212282.db2.gz ABPKOROKAVKJFJ-AWEZNQCLSA-N 1 2 402.542 -0.349 20 0 HBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444067617 1071212406 /nfs/dbraw/zinc/21/24/06/1071212406.db2.gz ABPKOROKAVKJFJ-CQSZACIVSA-N 1 2 402.542 -0.349 20 0 HBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000444067617 1071212400 /nfs/dbraw/zinc/21/24/00/1071212400.db2.gz ABPKOROKAVKJFJ-CQSZACIVSA-N 1 2 402.542 -0.349 20 0 HBADLO CC(=O)NC[C@@H]1CN(c2nc(N3CCO[C@@H](CNC(C)=O)C3)c(C)c[nH+]2)CCO1 ZINC000444069801 1071212994 /nfs/dbraw/zinc/21/29/94/1071212994.db2.gz BVTNZBBCSLGLNP-DLBZAZTESA-N 1 2 406.487 -0.532 20 0 HBADLO CC(=O)NC[C@@H]1CN(c2nc(N3CCO[C@H](CNC(C)=O)C3)c(C)c[nH+]2)CCO1 ZINC000444069802 1068897791 /nfs/dbraw/zinc/89/77/91/1068897791.db2.gz BVTNZBBCSLGLNP-IAGOWNOFSA-N 1 2 406.487 -0.532 20 0 HBADLO CC(=O)NC[C@H]1CN(c2nc(N3CCO[C@@H](CNC(C)=O)C3)c(C)c[nH+]2)CCO1 ZINC000444069803 1071213159 /nfs/dbraw/zinc/21/31/59/1071213159.db2.gz BVTNZBBCSLGLNP-IRXDYDNUSA-N 1 2 406.487 -0.532 20 0 HBADLO CC(=O)NC[C@@H]1CN(c2nc(N3CCO[C@@H](CNC(C)=O)C3)[nH+]cc2C)CCO1 ZINC000444069804 1071213186 /nfs/dbraw/zinc/21/31/86/1071213186.db2.gz BVTNZBBCSLGLNP-SJORKVTESA-N 1 2 406.487 -0.532 20 0 HBADLO O=S(=O)(NC1CC1)c1ccccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000444075262 1071214321 /nfs/dbraw/zinc/21/43/21/1071214321.db2.gz SRAGYDDCRWMQQJ-UHFFFAOYSA-N 1 2 403.526 -0.184 20 0 HBADLO O=S(=O)(NC1CC1)c1ccccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000444075262 1071214316 /nfs/dbraw/zinc/21/43/16/1071214316.db2.gz SRAGYDDCRWMQQJ-UHFFFAOYSA-N 1 2 403.526 -0.184 20 0 HBADLO CCOC1CC(CNC(=O)NCC2CN(S(=O)(=O)CC)C2)([NH+]2CCOCC2)C1 ZINC000444089236 1071217308 /nfs/dbraw/zinc/21/73/08/1071217308.db2.gz VGVZOONYZKILHA-UHFFFAOYSA-N 1 2 418.560 -0.163 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCc1cccnn1 ZINC000444117549 1071219537 /nfs/dbraw/zinc/21/95/37/1071219537.db2.gz YXGIGPGBMDFTGE-UHFFFAOYSA-N 1 2 405.484 -0.177 20 0 HBADLO CCOC1CC(CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000444141962 1071221648 /nfs/dbraw/zinc/22/16/48/1071221648.db2.gz OVXGQGNEWDYVQX-HJOIGYKYSA-N 1 2 418.560 -0.163 20 0 HBADLO CCOC1CC(CNC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000444141963 1071221809 /nfs/dbraw/zinc/22/18/09/1071221809.db2.gz OVXGQGNEWDYVQX-KLHKWILBSA-N 1 2 418.560 -0.163 20 0 HBADLO CCOC1CC(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)([NH+]2CCOCC2)C1 ZINC000444150525 1071222261 /nfs/dbraw/zinc/22/22/61/1071222261.db2.gz SFODSHHMUGACMQ-KLHKWILBSA-N 1 2 418.560 -0.021 20 0 HBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)C1 ZINC000444153525 1071222235 /nfs/dbraw/zinc/22/22/35/1071222235.db2.gz RTGKIOYMADYSSC-PQUAAJSLSA-N 1 2 418.560 -0.021 20 0 HBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)C1 ZINC000444153526 1071222121 /nfs/dbraw/zinc/22/21/21/1071222121.db2.gz RTGKIOYMADYSSC-UPTPFMHGSA-N 1 2 418.560 -0.021 20 0 HBADLO CCOC1CC(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000444156870 1071223001 /nfs/dbraw/zinc/22/30/01/1071223001.db2.gz CROCCEIIUNFQST-HJOIGYKYSA-N 1 2 418.560 -0.021 20 0 HBADLO CCOC1CC(CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000444156871 1071222774 /nfs/dbraw/zinc/22/27/74/1071222774.db2.gz CROCCEIIUNFQST-KLHKWILBSA-N 1 2 418.560 -0.021 20 0 HBADLO CCOC1CC(CNC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC000444157069 1071223069 /nfs/dbraw/zinc/22/30/69/1071223069.db2.gz FPMCMTROQXWFEP-HJOIGYKYSA-N 1 2 418.560 -0.068 20 0 HBADLO CCOC1CC(CNC(=O)NCCNC(=O)c2cnccn2)([NH+]2CCOCC2)C1 ZINC000444158601 1071222938 /nfs/dbraw/zinc/22/29/38/1071222938.db2.gz UJNXPHMNIGIGLE-UHFFFAOYSA-N 1 2 406.487 -0.225 20 0 HBADLO CCOC1CC(CNC(=O)N2CCCN(S(C)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC000444159011 1071223840 /nfs/dbraw/zinc/22/38/40/1071223840.db2.gz KJMPXORTRSFGGH-UHFFFAOYSA-N 1 2 418.560 -0.067 20 0 HBADLO CCOC1CC(CNC(=O)N2CCN(S(C)(=O)=O)CC2)([NH+]2CCOCC2)C1 ZINC000444160693 1071223926 /nfs/dbraw/zinc/22/39/26/1071223926.db2.gz ZQIQQVJYNKNBNQ-UHFFFAOYSA-N 1 2 404.533 -0.457 20 0 HBADLO CCOC1CC(CNC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000444161837 1071225187 /nfs/dbraw/zinc/22/51/87/1071225187.db2.gz QOCIMDLPKDDURF-HPUBIQBYSA-N 1 2 404.533 -0.411 20 0 HBADLO CCOC1CC(CNC(=O)N2CC[C@H](NS(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000444161838 1071225280 /nfs/dbraw/zinc/22/52/80/1071225280.db2.gz QOCIMDLPKDDURF-UQPPLGOBSA-N 1 2 404.533 -0.411 20 0 HBADLO CCNC(=O)CN1CCN(C(=O)NCC2([NH+]3CCOCC3)CC(OCC)C2)CC1 ZINC000444163102 1071223783 /nfs/dbraw/zinc/22/37/83/1071223783.db2.gz XGVMFBHLUUVPES-UHFFFAOYSA-N 1 2 411.547 -0.280 20 0 HBADLO CCOC1CC(CNC(=O)NCCS(=O)(=O)NC(C)C)([NH+]2CCOCC2)C1 ZINC000444163211 1071225157 /nfs/dbraw/zinc/22/51/57/1071225157.db2.gz VDTHFJMWUQFQGO-UHFFFAOYSA-N 1 2 406.549 -0.117 20 0 HBADLO CCOC1CC(CNC(=O)NCCCNS(=O)(=O)CC)([NH+]2CCOCC2)C1 ZINC000444164682 1071224492 /nfs/dbraw/zinc/22/44/92/1071224492.db2.gz XHQGLXQYIFOSRT-UHFFFAOYSA-N 1 2 406.549 -0.115 20 0 HBADLO CCOC1CC(CNC(=O)NCCN2CCCS2(=O)=O)([NH+]2CCOCC2)C1 ZINC000444166805 1071225117 /nfs/dbraw/zinc/22/51/17/1071225117.db2.gz LEQDZNOOUPHCND-UHFFFAOYSA-N 1 2 404.533 -0.409 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@H]2CS(=O)(=O)NC)([NH+]2CCOCC2)C1 ZINC000444171423 1071225362 /nfs/dbraw/zinc/22/53/62/1071225362.db2.gz VZELHLHMTMRTRS-HJOIGYKYSA-N 1 2 418.560 -0.021 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@@H]2CS(=O)(=O)NC)([NH+]2CCOCC2)C1 ZINC000444171424 1071225341 /nfs/dbraw/zinc/22/53/41/1071225341.db2.gz VZELHLHMTMRTRS-KLHKWILBSA-N 1 2 418.560 -0.021 20 0 HBADLO CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000444219663 1071233775 /nfs/dbraw/zinc/23/37/75/1071233775.db2.gz HGKPNLWAQLTCJJ-AWEZNQCLSA-N 1 2 406.530 -0.206 20 0 HBADLO CS(=O)(=O)N1CCC[C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000444219664 1071233811 /nfs/dbraw/zinc/23/38/11/1071233811.db2.gz HGKPNLWAQLTCJJ-CQSZACIVSA-N 1 2 406.530 -0.206 20 0 HBADLO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000444220686 1071234531 /nfs/dbraw/zinc/23/45/31/1071234531.db2.gz NUVATUQPBBPHLF-LLVKDONJSA-N 1 2 411.484 -0.500 20 0 HBADLO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000444220686 1071234524 /nfs/dbraw/zinc/23/45/24/1071234524.db2.gz NUVATUQPBBPHLF-LLVKDONJSA-N 1 2 411.484 -0.500 20 0 HBADLO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000444220687 1071234370 /nfs/dbraw/zinc/23/43/70/1071234370.db2.gz NUVATUQPBBPHLF-NSHDSACASA-N 1 2 411.484 -0.500 20 0 HBADLO C[C@H]1C[N@H+](CC(C)(C)O)CCN1S(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000444220687 1071234352 /nfs/dbraw/zinc/23/43/52/1071234352.db2.gz NUVATUQPBBPHLF-NSHDSACASA-N 1 2 411.484 -0.500 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000444230279 1071236528 /nfs/dbraw/zinc/23/65/28/1071236528.db2.gz ZFQGCNPPBBZHLU-CQSZACIVSA-N 1 2 423.532 -0.226 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ZINC000444517306 1071325318 /nfs/dbraw/zinc/32/53/18/1071325318.db2.gz CVCGSMJJHWVNLA-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000444521779 1071325699 /nfs/dbraw/zinc/32/56/99/1071325699.db2.gz NKIFTQCZUDCCCE-UHFFFAOYSA-N 1 2 401.261 -0.123 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000444527241 1071327014 /nfs/dbraw/zinc/32/70/14/1071327014.db2.gz LIEZCJUVYLLITO-CYBMUJFWSA-N 1 2 405.455 -0.182 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N(C)C)c2)CC1 ZINC000444527250 1071326673 /nfs/dbraw/zinc/32/66/73/1071326673.db2.gz LIEZCJUVYLLITO-ZDUSSCGKSA-N 1 2 405.455 -0.182 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000444567617 1071331839 /nfs/dbraw/zinc/33/18/39/1071331839.db2.gz GQAWVVPWBYKPCG-INIZCTEOSA-N 1 2 415.498 0.190 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000444567621 1071331540 /nfs/dbraw/zinc/33/15/40/1071331540.db2.gz GQAWVVPWBYKPCG-MRXNPFEDSA-N 1 2 415.498 0.190 20 0 HBADLO CCOC1CC(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)([NH+]2CCOCC2)C1 ZINC000444581225 1071334860 /nfs/dbraw/zinc/33/48/60/1071334860.db2.gz WBBHYUOLBIACAW-UHFFFAOYSA-N 1 2 415.516 -0.916 20 0 HBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CCc2ccccc2C1 ZINC000444592536 1071334430 /nfs/dbraw/zinc/33/44/30/1071334430.db2.gz QBHQUVSVKIGUNQ-UHFFFAOYSA-N 1 2 414.506 -0.036 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000444596449 1071334145 /nfs/dbraw/zinc/33/41/45/1071334145.db2.gz PUBDUGSTIWYYPR-UHFFFAOYSA-N 1 2 418.473 0.546 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000444597872 1069612730 /nfs/dbraw/zinc/61/27/30/1069612730.db2.gz SCZZSNILKZKWQC-KRWDZBQOSA-N 1 2 401.467 0.485 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000444597872 1069612723 /nfs/dbraw/zinc/61/27/23/1069612723.db2.gz SCZZSNILKZKWQC-KRWDZBQOSA-N 1 2 401.467 0.485 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000444597873 1069612513 /nfs/dbraw/zinc/61/25/13/1069612513.db2.gz SCZZSNILKZKWQC-QGZVFWFLSA-N 1 2 401.467 0.485 20 0 HBADLO COCCn1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000444597873 1069612509 /nfs/dbraw/zinc/61/25/09/1069612509.db2.gz SCZZSNILKZKWQC-QGZVFWFLSA-N 1 2 401.467 0.485 20 0 HBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[NH+]1CCOCC1 ZINC000444599111 1069563862 /nfs/dbraw/zinc/56/38/62/1069563862.db2.gz SZTLUPLJHFLWIC-HNNXBMFYSA-N 1 2 408.503 -0.227 20 0 HBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N(C)C)n1)[NH+]1CCOCC1 ZINC000444599112 1069564320 /nfs/dbraw/zinc/56/43/20/1069564320.db2.gz SZTLUPLJHFLWIC-OAHLLOKOSA-N 1 2 408.503 -0.227 20 0 HBADLO COCCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000444678755 1071342408 /nfs/dbraw/zinc/34/24/08/1071342408.db2.gz ZZPAKLSHRRPGLY-CVEARBPZSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000444678755 1071342395 /nfs/dbraw/zinc/34/23/95/1071342395.db2.gz ZZPAKLSHRRPGLY-CVEARBPZSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000444678761 1071343178 /nfs/dbraw/zinc/34/31/78/1071343178.db2.gz ZZPAKLSHRRPGLY-HOTGVXAUSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000444678761 1071343155 /nfs/dbraw/zinc/34/31/55/1071343155.db2.gz ZZPAKLSHRRPGLY-HOTGVXAUSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000444678763 1071343027 /nfs/dbraw/zinc/34/30/27/1071343027.db2.gz ZZPAKLSHRRPGLY-HZPDHXFCSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000444678763 1071343013 /nfs/dbraw/zinc/34/30/13/1071343013.db2.gz ZZPAKLSHRRPGLY-HZPDHXFCSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000444678766 1071343218 /nfs/dbraw/zinc/34/32/18/1071343218.db2.gz ZZPAKLSHRRPGLY-JKSUJKDBSA-N 1 2 405.561 -0.575 20 0 HBADLO COCCN(C(=O)CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000444678766 1071343205 /nfs/dbraw/zinc/34/32/05/1071343205.db2.gz ZZPAKLSHRRPGLY-JKSUJKDBSA-N 1 2 405.561 -0.575 20 0 HBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000444682036 1071342884 /nfs/dbraw/zinc/34/28/84/1071342884.db2.gz SHQNYWFFTGUYBG-UHFFFAOYSA-N 1 2 407.559 -0.010 20 0 HBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000444682036 1071342881 /nfs/dbraw/zinc/34/28/81/1071342881.db2.gz SHQNYWFFTGUYBG-UHFFFAOYSA-N 1 2 407.559 -0.010 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000444682360 1071342978 /nfs/dbraw/zinc/34/29/78/1071342978.db2.gz ZUIMNICBKXIMPA-UHFFFAOYSA-N 1 2 408.524 -0.063 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000444682360 1071342962 /nfs/dbraw/zinc/34/29/62/1071342962.db2.gz ZUIMNICBKXIMPA-UHFFFAOYSA-N 1 2 408.524 -0.063 20 0 HBADLO CCCCCN(C(=O)C[NH+]1C[C@H](O)[C@@H](O)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000444689679 1071343799 /nfs/dbraw/zinc/34/37/99/1071343799.db2.gz GXLYEMLNHCGYFX-KBPBESRZSA-N 1 2 411.503 -0.108 20 0 HBADLO CCCCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000444689680 1071343694 /nfs/dbraw/zinc/34/36/94/1071343694.db2.gz GXLYEMLNHCGYFX-OKILXGFUSA-N 1 2 411.503 -0.108 20 0 HBADLO CCCCCN(C(=O)C[N@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000444689680 1071343684 /nfs/dbraw/zinc/34/36/84/1071343684.db2.gz GXLYEMLNHCGYFX-OKILXGFUSA-N 1 2 411.503 -0.108 20 0 HBADLO CCCCCN(C(=O)C[NH+]1C[C@@H](O)[C@H](O)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O ZINC000444689681 1071343814 /nfs/dbraw/zinc/34/38/14/1071343814.db2.gz GXLYEMLNHCGYFX-ZIAGYGMSSA-N 1 2 411.503 -0.108 20 0 HBADLO O=C(C[N@H+]1C[C@@H](O)[C@@H](O)C1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000444700841 1071345650 /nfs/dbraw/zinc/34/56/50/1071345650.db2.gz VWYRHINDAZRVHV-HDICACEKSA-N 1 2 409.508 -0.212 20 0 HBADLO O=C(C[N@@H+]1C[C@@H](O)[C@@H](O)C1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000444700841 1071345639 /nfs/dbraw/zinc/34/56/39/1071345639.db2.gz VWYRHINDAZRVHV-HDICACEKSA-N 1 2 409.508 -0.212 20 0 HBADLO O=C(C[NH+]1C[C@@H](O)[C@H](O)C1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000444700842 1071345549 /nfs/dbraw/zinc/34/55/49/1071345549.db2.gz VWYRHINDAZRVHV-QZTJIDSGSA-N 1 2 409.508 -0.212 20 0 HBADLO O=C(C[NH+]1C[C@H](O)[C@@H](O)C1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000444700843 1071345782 /nfs/dbraw/zinc/34/57/82/1071345782.db2.gz VWYRHINDAZRVHV-ROUUACIJSA-N 1 2 409.508 -0.212 20 0 HBADLO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000444703804 1071346323 /nfs/dbraw/zinc/34/63/23/1071346323.db2.gz KFNNBGLQEQDQGD-BMFZPTHFSA-N 1 2 413.496 -0.620 20 0 HBADLO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000444703804 1071346314 /nfs/dbraw/zinc/34/63/14/1071346314.db2.gz KFNNBGLQEQDQGD-BMFZPTHFSA-N 1 2 413.496 -0.620 20 0 HBADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](O)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000444703807 1071346429 /nfs/dbraw/zinc/34/64/29/1071346429.db2.gz KFNNBGLQEQDQGD-BPUTZDHNSA-N 1 2 413.496 -0.620 20 0 HBADLO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000444703810 1071346369 /nfs/dbraw/zinc/34/63/69/1071346369.db2.gz KFNNBGLQEQDQGD-CWRNSKLLSA-N 1 2 413.496 -0.620 20 0 HBADLO Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000444703810 1071346355 /nfs/dbraw/zinc/34/63/55/1071346355.db2.gz KFNNBGLQEQDQGD-CWRNSKLLSA-N 1 2 413.496 -0.620 20 0 HBADLO Cc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](O)[C@H](O)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000444703813 1071346529 /nfs/dbraw/zinc/34/65/29/1071346529.db2.gz KFNNBGLQEQDQGD-NUEKZKHPSA-N 1 2 413.496 -0.620 20 0 HBADLO CCCCn1c(N)c(N(C(=O)C[NH+]2C[C@H](O)[C@@H](O)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000444707934 1071346590 /nfs/dbraw/zinc/34/65/90/1071346590.db2.gz QJRWMCSMZFXHAW-KBPBESRZSA-N 1 2 409.487 -0.356 20 0 HBADLO CCCCn1c(N)c(N(C(=O)C[N@@H+]2C[C@@H](O)[C@@H](O)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000444707938 1071346400 /nfs/dbraw/zinc/34/64/00/1071346400.db2.gz QJRWMCSMZFXHAW-OKILXGFUSA-N 1 2 409.487 -0.356 20 0 HBADLO CCCCn1c(N)c(N(C(=O)C[N@H+]2C[C@@H](O)[C@@H](O)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000444707938 1071346390 /nfs/dbraw/zinc/34/63/90/1071346390.db2.gz QJRWMCSMZFXHAW-OKILXGFUSA-N 1 2 409.487 -0.356 20 0 HBADLO CCCCn1c(N)c(N(C(=O)C[NH+]2C[C@@H](O)[C@H](O)C2)C2CCCC2)c(=O)[nH]c1=O ZINC000444707942 1071346283 /nfs/dbraw/zinc/34/62/83/1071346283.db2.gz QJRWMCSMZFXHAW-ZIAGYGMSSA-N 1 2 409.487 -0.356 20 0 HBADLO CCCN(C(=O)C[N@@H+]1C[C@@H](O)[C@@H](O)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000444722391 1071349053 /nfs/dbraw/zinc/34/90/53/1071349053.db2.gz YNUOYDOCJFBJNL-GASCZTMLSA-N 1 2 417.466 -0.640 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COCCNC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445037637 1071364808 /nfs/dbraw/zinc/36/48/08/1071364808.db2.gz ZINDHNHLXHIMMX-UHFFFAOYSA-N 1 2 419.482 -0.832 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NC3CC3)c2)CC1 ZINC000445039676 1071365023 /nfs/dbraw/zinc/36/50/23/1071365023.db2.gz YCGWYXPMURRERW-UHFFFAOYSA-N 1 2 401.467 -0.316 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)c2)CC1 ZINC000445040786 1071364842 /nfs/dbraw/zinc/36/48/42/1071364842.db2.gz LVYDAMOAYIOODC-UHFFFAOYSA-N 1 2 403.483 -0.083 20 0 HBADLO CC(=O)NCCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445040962 1071364978 /nfs/dbraw/zinc/36/49/78/1071364978.db2.gz WNNZXOHJBORBCW-UHFFFAOYSA-N 1 2 403.483 -0.068 20 0 HBADLO CCCNC(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445041080 1071364781 /nfs/dbraw/zinc/36/47/81/1071364781.db2.gz MYQLLFFZKSHNQX-UHFFFAOYSA-N 1 2 403.483 -0.068 20 0 HBADLO CC(=O)NCCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445045201 1071367708 /nfs/dbraw/zinc/36/77/08/1071367708.db2.gz CFKCQQJUDLCFSM-UHFFFAOYSA-N 1 2 403.483 -0.068 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)NC(C)C)CC1 ZINC000445048468 1071367654 /nfs/dbraw/zinc/36/76/54/1071367654.db2.gz LMFWURUBOQLLQX-UHFFFAOYSA-N 1 2 403.483 -0.070 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NC(C)C)c2)CC1 ZINC000445051780 1071368258 /nfs/dbraw/zinc/36/82/58/1071368258.db2.gz WLJUHHYFCSBMGV-UHFFFAOYSA-N 1 2 403.483 -0.070 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCNC(=O)C2CC2)CC1 ZINC000445054000 1071366559 /nfs/dbraw/zinc/36/65/59/1071366559.db2.gz SBMONTLHNYHRPZ-UHFFFAOYSA-N 1 2 415.494 -0.068 20 0 HBADLO CNC(=O)CCCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445055383 1071366611 /nfs/dbraw/zinc/36/66/11/1071366611.db2.gz CSXFPQFZWULFQT-UHFFFAOYSA-N 1 2 403.483 -0.068 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNC(=O)C3CC3)c2)CC1 ZINC000445056476 1071366415 /nfs/dbraw/zinc/36/64/15/1071366415.db2.gz ZXADYUMYJDNCGJ-UHFFFAOYSA-N 1 2 415.494 -0.068 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@H]2COCCO2)CC1 ZINC000445060579 1071366987 /nfs/dbraw/zinc/36/69/87/1071366987.db2.gz AYMGKNPAESSYEP-KRWDZBQOSA-N 1 2 404.467 -0.179 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@@H]2COCCO2)CC1 ZINC000445060580 1071367219 /nfs/dbraw/zinc/36/72/19/1071367219.db2.gz AYMGKNPAESSYEP-QGZVFWFLSA-N 1 2 404.467 -0.179 20 0 HBADLO CNC(=O)CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445062428 1071367116 /nfs/dbraw/zinc/36/71/16/1071367116.db2.gz VNVMRRQISHZRLX-UHFFFAOYSA-N 1 2 403.483 -0.068 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@@H]3COCCO3)c2)CC1 ZINC000445067733 1071369244 /nfs/dbraw/zinc/36/92/44/1071369244.db2.gz VDRAZRBAWGZFGR-GOSISDBHSA-N 1 2 404.467 -0.179 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3COCCO3)c2)CC1 ZINC000445067735 1071369611 /nfs/dbraw/zinc/36/96/11/1071369611.db2.gz VDRAZRBAWGZFGR-SFHVURJKSA-N 1 2 404.467 -0.179 20 0 HBADLO Cc1cnc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000445067754 1071369176 /nfs/dbraw/zinc/36/91/76/1071369176.db2.gz VGECWJKVDFNMLA-UHFFFAOYSA-N 1 2 416.529 -0.974 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3CCOCC3)c2)CC1 ZINC000445070191 1071369792 /nfs/dbraw/zinc/36/97/92/1071369792.db2.gz JKPOPYOZAIKTKZ-UHFFFAOYSA-N 1 2 417.510 -0.262 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCN2CCOCC2)CC1 ZINC000445070285 1071369982 /nfs/dbraw/zinc/36/99/82/1071369982.db2.gz KMCQQEZKHSRGMB-UHFFFAOYSA-N 1 2 417.510 -0.262 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000445078222 1071371934 /nfs/dbraw/zinc/37/19/34/1071371934.db2.gz FSIGHEYGORUEHI-KRWDZBQOSA-N 1 2 417.466 -0.998 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000445078223 1071371742 /nfs/dbraw/zinc/37/17/42/1071371742.db2.gz FSIGHEYGORUEHI-QGZVFWFLSA-N 1 2 417.466 -0.998 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000445078724 1071368073 /nfs/dbraw/zinc/36/80/73/1071368073.db2.gz GPOCICJUNPMXQI-UHFFFAOYSA-N 1 2 422.507 -0.454 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)c2)CC1 ZINC000445084438 1071368678 /nfs/dbraw/zinc/36/86/78/1071368678.db2.gz QJYPGDWYAORMDM-KRWDZBQOSA-N 1 2 417.466 -0.998 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)c2)CC1 ZINC000445084441 1071368885 /nfs/dbraw/zinc/36/88/85/1071368885.db2.gz QJYPGDWYAORMDM-QGZVFWFLSA-N 1 2 417.466 -0.998 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCS(=O)(=O)CC3)c2)CC1 ZINC000445086707 1071373059 /nfs/dbraw/zinc/37/30/59/1071373059.db2.gz PUXXMHLJOZWZSB-UHFFFAOYSA-N 1 2 422.507 -0.454 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](C(N)=O)C3)c2)CC1 ZINC000445093777 1071373084 /nfs/dbraw/zinc/37/30/84/1071373084.db2.gz QFPYTUQLOVHKNI-INIZCTEOSA-N 1 2 401.467 -0.377 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](C(N)=O)C3)c2)CC1 ZINC000445093778 1071373832 /nfs/dbraw/zinc/37/38/32/1071373832.db2.gz QFPYTUQLOVHKNI-MRXNPFEDSA-N 1 2 401.467 -0.377 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)CC1 ZINC000445097123 1071373936 /nfs/dbraw/zinc/37/39/36/1071373936.db2.gz ZVTIALGQGBFPBE-INIZCTEOSA-N 1 2 401.467 -0.377 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)CC1 ZINC000445097124 1071373856 /nfs/dbraw/zinc/37/38/56/1071373856.db2.gz ZVTIALGQGBFPBE-MRXNPFEDSA-N 1 2 401.467 -0.377 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CCN(C)C3=O)c2)CC1 ZINC000445098463 1071373676 /nfs/dbraw/zinc/37/36/76/1071373676.db2.gz CODLWXVYEAVEAF-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CCN(C)C3=O)c2)CC1 ZINC000445098465 1071373900 /nfs/dbraw/zinc/37/39/00/1071373900.db2.gz CODLWXVYEAVEAF-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H](C)O)CC3)c2)CC1 ZINC000445101329 1071374650 /nfs/dbraw/zinc/37/46/50/1071374650.db2.gz BSGMNEXZKAQGEA-INIZCTEOSA-N 1 2 417.510 -0.181 20 0 HBADLO CCOC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445102209 1071374461 /nfs/dbraw/zinc/37/44/61/1071374461.db2.gz OCXKCERIWJXZIH-KRWDZBQOSA-N 1 2 406.483 -0.197 20 0 HBADLO CCOC[C@H](O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445102215 1071374716 /nfs/dbraw/zinc/37/47/16/1071374716.db2.gz OCXKCERIWJXZIH-QGZVFWFLSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@H](O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445103675 1071372476 /nfs/dbraw/zinc/37/24/76/1071372476.db2.gz CAJFTIGSGXRDKF-GOSISDBHSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@@H](O)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445103676 1071372321 /nfs/dbraw/zinc/37/23/21/1071372321.db2.gz CAJFTIGSGXRDKF-SFHVURJKSA-N 1 2 406.483 -0.197 20 0 HBADLO CNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000445104017 1071372347 /nfs/dbraw/zinc/37/23/47/1071372347.db2.gz GIUMVFZKMZGBKT-UHFFFAOYSA-N 1 2 401.467 -0.506 20 0 HBADLO CCN(C)C(=O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445104075 1071372556 /nfs/dbraw/zinc/37/25/56/1071372556.db2.gz GPUJHKUYMLBHRS-UHFFFAOYSA-N 1 2 403.483 -0.116 20 0 HBADLO CCOC[C@H](O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445104780 1071372649 /nfs/dbraw/zinc/37/26/49/1071372649.db2.gz RKODMSBNZQZVIO-GOSISDBHSA-N 1 2 406.483 -0.197 20 0 HBADLO CCOC[C@@H](O)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445104781 1071372413 /nfs/dbraw/zinc/37/24/13/1071372413.db2.gz RKODMSBNZQZVIO-SFHVURJKSA-N 1 2 406.483 -0.197 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC(=O)NCC3CC3)c2)CC1 ZINC000445105482 1071372442 /nfs/dbraw/zinc/37/24/42/1071372442.db2.gz BSAATOPVNWNBLT-UHFFFAOYSA-N 1 2 415.494 -0.068 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCn3ncnn3)c2)CC1 ZINC000445106518 1071372282 /nfs/dbraw/zinc/37/22/82/1071372282.db2.gz FNXLQMNFHGHOPB-UHFFFAOYSA-N 1 2 400.443 -0.908 20 0 HBADLO CNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1 ZINC000445107087 1071375616 /nfs/dbraw/zinc/37/56/16/1071375616.db2.gz HUZDVNWPJGAVHA-UHFFFAOYSA-N 1 2 401.467 -0.506 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](CO)OC[C@H]3C)c2)CC1 ZINC000445108224 1071375691 /nfs/dbraw/zinc/37/56/91/1071375691.db2.gz JXEVPOTWRRIYGZ-BEFAXECRSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](CO)OC[C@H]3C)c2)CC1 ZINC000445108226 1071375957 /nfs/dbraw/zinc/37/59/57/1071375957.db2.gz JXEVPOTWRRIYGZ-DNVCBOLYSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@H](CO)OC[C@@H]3C)c2)CC1 ZINC000445108227 1071375826 /nfs/dbraw/zinc/37/58/26/1071375826.db2.gz JXEVPOTWRRIYGZ-HNAYVOBHSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3C[C@@H](CO)OC[C@@H]3C)c2)CC1 ZINC000445108228 1071375867 /nfs/dbraw/zinc/37/58/67/1071375867.db2.gz JXEVPOTWRRIYGZ-KXBFYZLASA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)CC1 ZINC000445108625 1071375803 /nfs/dbraw/zinc/37/58/03/1071375803.db2.gz GWNVPKCYKGPWQY-INIZCTEOSA-N 1 2 416.482 -0.442 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)CC1 ZINC000445108628 1071375732 /nfs/dbraw/zinc/37/57/32/1071375732.db2.gz GWNVPKCYKGPWQY-MRXNPFEDSA-N 1 2 416.482 -0.442 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CCN(C)C2=O)CC1 ZINC000445108646 1071375759 /nfs/dbraw/zinc/37/57/59/1071375759.db2.gz VPGOMTDUOFDUPY-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)CC1 ZINC000445108647 1071376014 /nfs/dbraw/zinc/37/60/14/1071376014.db2.gz VPGOMTDUOFDUPY-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO CCN(C)C(=O)CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445109136 1071375928 /nfs/dbraw/zinc/37/59/28/1071375928.db2.gz KOAIOVWZSQCNIR-UHFFFAOYSA-N 1 2 403.483 -0.116 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCC(=O)NCC2CC2)CC1 ZINC000445112073 1071376573 /nfs/dbraw/zinc/37/65/73/1071376573.db2.gz JSESYSHMILTFGM-UHFFFAOYSA-N 1 2 415.494 -0.068 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCCOCCO)CC1 ZINC000445114418 1071376547 /nfs/dbraw/zinc/37/65/47/1071376547.db2.gz FFYYWYQZWFVFEB-UHFFFAOYSA-N 1 2 406.483 -0.196 20 0 HBADLO CCN1CCN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC000445114891 1071376385 /nfs/dbraw/zinc/37/63/85/1071376385.db2.gz FTHVRMSLXVURLG-UHFFFAOYSA-N 1 2 415.494 -0.020 20 0 HBADLO COC[C@@H](O)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445115313 1071376530 /nfs/dbraw/zinc/37/65/30/1071376530.db2.gz PLKXFBFXAPJFDX-KRWDZBQOSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@H](O)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445115314 1071376482 /nfs/dbraw/zinc/37/64/82/1071376482.db2.gz PLKXFBFXAPJFDX-QGZVFWFLSA-N 1 2 406.483 -0.197 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCCOCCO)c2)CC1 ZINC000445116549 1071377186 /nfs/dbraw/zinc/37/71/86/1071377186.db2.gz HSOLDBNDIXRFEX-UHFFFAOYSA-N 1 2 406.483 -0.196 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NCCn2ncnn2)CC1 ZINC000445116955 1071377286 /nfs/dbraw/zinc/37/72/86/1071377286.db2.gz RBRXIEBHTPZRLP-UHFFFAOYSA-N 1 2 400.443 -0.908 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H](CO)OC[C@H]2C)CC1 ZINC000445121698 1071377955 /nfs/dbraw/zinc/37/79/55/1071377955.db2.gz XELGQLVCZSCHAC-CRAIPNDOSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H](CO)OC[C@@H]2C)CC1 ZINC000445121700 1071377705 /nfs/dbraw/zinc/37/77/05/1071377705.db2.gz XELGQLVCZSCHAC-MAUKXSAKSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](CO)OC[C@H]2C)CC1 ZINC000445121702 1071377988 /nfs/dbraw/zinc/37/79/88/1071377988.db2.gz XELGQLVCZSCHAC-QAPCUYQASA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@@H](CO)OC[C@@H]2C)CC1 ZINC000445121704 1071377844 /nfs/dbraw/zinc/37/78/44/1071377844.db2.gz XELGQLVCZSCHAC-YJBOKZPZSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)CC1 ZINC000445121867 1071377940 /nfs/dbraw/zinc/37/79/40/1071377940.db2.gz XPBCUVNDUGZDSI-INIZCTEOSA-N 1 2 417.510 -0.181 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)CC1 ZINC000445121867 1071377929 /nfs/dbraw/zinc/37/79/29/1071377929.db2.gz XPBCUVNDUGZDSI-INIZCTEOSA-N 1 2 417.510 -0.181 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)CC1 ZINC000445121869 1071378043 /nfs/dbraw/zinc/37/80/43/1071378043.db2.gz XPBCUVNDUGZDSI-MRXNPFEDSA-N 1 2 417.510 -0.181 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)CC1 ZINC000445121869 1071378031 /nfs/dbraw/zinc/37/80/31/1071378031.db2.gz XPBCUVNDUGZDSI-MRXNPFEDSA-N 1 2 417.510 -0.181 20 0 HBADLO CCN1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)CC1=O ZINC000445124839 1071374413 /nfs/dbraw/zinc/37/44/13/1071374413.db2.gz VTZSSFADCKVUGH-UHFFFAOYSA-N 1 2 415.494 -0.020 20 0 HBADLO CCNC(=O)C1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C(C)=O)CC3)c2)C1 ZINC000445126646 1071374907 /nfs/dbraw/zinc/37/49/07/1071374907.db2.gz UBCQPFJKCAAWSM-UHFFFAOYSA-N 1 2 415.494 -0.116 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)c2)CC1 ZINC000445127291 1071375165 /nfs/dbraw/zinc/37/51/65/1071375165.db2.gz YOLNXYUFPLNIRD-KRWDZBQOSA-N 1 2 416.482 -0.442 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)c2)CC1 ZINC000445127292 1071374970 /nfs/dbraw/zinc/37/49/70/1071374970.db2.gz YOLNXYUFPLNIRD-QGZVFWFLSA-N 1 2 416.482 -0.442 20 0 HBADLO CCNC(=O)C1CN(C(=O)C(=O)Nc2ccccc2C[NH+]2CCN(C(C)=O)CC2)C1 ZINC000445127391 1071375018 /nfs/dbraw/zinc/37/50/18/1071375018.db2.gz ZNQPMZSZMKREQT-UHFFFAOYSA-N 1 2 415.494 -0.116 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCn3ncnc3C2)CC1 ZINC000445127636 1071375782 /nfs/dbraw/zinc/37/57/82/1071375782.db2.gz BTMDDSWYRSDCLZ-UHFFFAOYSA-N 1 2 411.466 -0.077 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)c2)CC1 ZINC000445129900 1071379487 /nfs/dbraw/zinc/37/94/87/1071379487.db2.gz DLDFYOWJZUAHKB-UHFFFAOYSA-N 1 2 403.483 -0.570 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCn4ncnc4C3)c2)CC1 ZINC000445136003 1071380143 /nfs/dbraw/zinc/38/01/43/1071380143.db2.gz NSYVHOFMKUGVEI-UHFFFAOYSA-N 1 2 411.466 -0.077 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(CCO)CC3)c2)CC1 ZINC000445140790 1071378410 /nfs/dbraw/zinc/37/84/10/1071378410.db2.gz PFGBJOALRMRIHF-UHFFFAOYSA-N 1 2 417.510 -0.574 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)CC1 ZINC000445148996 1071379268 /nfs/dbraw/zinc/37/92/68/1071379268.db2.gz JCFBGDKMBCCSQR-INIZCTEOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)CC1 ZINC000445148997 1071379413 /nfs/dbraw/zinc/37/94/13/1071379413.db2.gz JCFBGDKMBCCSQR-MRXNPFEDSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)c2)CC1 ZINC000445150376 1071383663 /nfs/dbraw/zinc/38/36/63/1071383663.db2.gz NYVANOSPQCREAT-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)c2)CC1 ZINC000445150377 1071383889 /nfs/dbraw/zinc/38/38/89/1071383889.db2.gz NYVANOSPQCREAT-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO COC[C@@H](CCO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445152044 1071379932 /nfs/dbraw/zinc/37/99/32/1071379932.db2.gz VKYJPACIUMXKRR-GOSISDBHSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@H](CCO)NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000445152046 1071380100 /nfs/dbraw/zinc/38/01/00/1071380100.db2.gz VKYJPACIUMXKRR-SFHVURJKSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@H](CCO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445152908 1071379862 /nfs/dbraw/zinc/37/98/62/1071379862.db2.gz YXOWLIJLULWCEK-KRWDZBQOSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@@H](CCO)NC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1 ZINC000445152909 1071380032 /nfs/dbraw/zinc/38/00/32/1071380032.db2.gz YXOWLIJLULWCEK-QGZVFWFLSA-N 1 2 406.483 -0.197 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000445154951 1071380082 /nfs/dbraw/zinc/38/00/82/1071380082.db2.gz CRPYPCSOFJOEEG-OAHLLOKOSA-N 1 2 424.523 -0.615 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)CC1 ZINC000445155621 1071380811 /nfs/dbraw/zinc/38/08/11/1071380811.db2.gz DBTZQHAQZPISIQ-SNVBAGLBSA-N 1 2 405.423 -0.168 20 0 HBADLO CC(=O)N1CCN(c2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)c2)CC1 ZINC000445156581 1071380754 /nfs/dbraw/zinc/38/07/54/1071380754.db2.gz BSGMNEXZKAQGEA-MRXNPFEDSA-N 1 2 417.510 -0.181 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445156636 1071380895 /nfs/dbraw/zinc/38/08/95/1071380895.db2.gz FZVDNOMBUYPZEJ-CQSZACIVSA-N 1 2 420.466 -0.557 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(OC)c(OC)c1 ZINC000445156777 1071380788 /nfs/dbraw/zinc/38/07/88/1071380788.db2.gz JYJLUVKWUXNWTB-GFCCVEGCSA-N 1 2 409.439 -0.046 20 0 HBADLO COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445156850 1071380870 /nfs/dbraw/zinc/38/08/70/1071380870.db2.gz HBMUHQRPSHKJFQ-CYBMUJFWSA-N 1 2 406.439 -0.947 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)CC1 ZINC000445157005 1071380838 /nfs/dbraw/zinc/38/08/38/1071380838.db2.gz IWHUUSNXBVOBNJ-GFCCVEGCSA-N 1 2 401.460 -0.166 20 0 HBADLO C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000445157052 1071380702 /nfs/dbraw/zinc/38/07/02/1071380702.db2.gz KMRSDHNGQSQTBX-MRXNPFEDSA-N 1 2 417.510 -0.462 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(=O)(=O)N(C)C ZINC000445157932 1071380655 /nfs/dbraw/zinc/38/06/55/1071380655.db2.gz KSBLUNLYPGRHGQ-CQSZACIVSA-N 1 2 412.512 -0.291 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1 ZINC000445158296 1071380604 /nfs/dbraw/zinc/38/06/04/1071380604.db2.gz BPJBUXVGQINOHJ-CQSZACIVSA-N 1 2 422.457 -0.238 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)CC1 ZINC000445158795 1071381432 /nfs/dbraw/zinc/38/14/32/1071381432.db2.gz PISLEDNPSUTHFP-CYBMUJFWSA-N 1 2 410.496 -0.528 20 0 HBADLO CSc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000445158979 1071381466 /nfs/dbraw/zinc/38/14/66/1071381466.db2.gz DZLTVWRNFAZIJD-GFCCVEGCSA-N 1 2 405.484 -0.152 20 0 HBADLO Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445159214 1071381558 /nfs/dbraw/zinc/38/15/58/1071381558.db2.gz NTVGXKGMFQZVFX-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1S(=O)(=O)NC1CC1 ZINC000445159359 1071381295 /nfs/dbraw/zinc/38/12/95/1071381295.db2.gz QISITSTYWOTRGV-CYBMUJFWSA-N 1 2 424.523 -0.101 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(OCC(=O)N(C)C)c1 ZINC000445159571 1071380912 /nfs/dbraw/zinc/38/09/12/1071380912.db2.gz NUOMHMRUUKIYHQ-OAHLLOKOSA-N 1 2 406.483 -0.074 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1-n1nnnc1C ZINC000445159692 1071381495 /nfs/dbraw/zinc/38/14/95/1071381495.db2.gz AKGKCDIHSAGOSC-GFCCVEGCSA-N 1 2 403.443 -0.557 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 ZINC000445159707 1071381277 /nfs/dbraw/zinc/38/12/77/1071381277.db2.gz GKWFSAALLVTUMR-CQSZACIVSA-N 1 2 402.451 -0.201 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(=O)n(-c2ccccc2)n1C ZINC000445159737 1071381639 /nfs/dbraw/zinc/38/16/39/1071381639.db2.gz ATGGCDGFSJLGPK-CQSZACIVSA-N 1 2 401.467 -0.052 20 0 HBADLO COc1ccc(Cn2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)n2)cc1 ZINC000445160296 1069637879 /nfs/dbraw/zinc/63/78/79/1069637879.db2.gz CMQMZVRGYXGJPT-OAHLLOKOSA-N 1 2 401.467 0.404 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000445160614 1071381313 /nfs/dbraw/zinc/38/13/13/1071381313.db2.gz TWUXYOIRTLTZTI-CQSZACIVSA-N 1 2 410.496 -0.310 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445160975 1071382071 /nfs/dbraw/zinc/38/20/71/1071382071.db2.gz PZXZNLIFGRIIDC-MRXNPFEDSA-N 1 2 418.494 -0.069 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1NS(C)(=O)=O ZINC000445161311 1071382117 /nfs/dbraw/zinc/38/21/17/1071382117.db2.gz VKFISYTUEGVBPT-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN(S(C)(=O)=O)C3)CC1 ZINC000445161673 1071381961 /nfs/dbraw/zinc/38/19/61/1071381961.db2.gz QYKAEFZPDVNSME-CQSZACIVSA-N 1 2 424.523 -0.532 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000445161724 1071382265 /nfs/dbraw/zinc/38/22/65/1071382265.db2.gz KFTPEZBLBHDIFK-OAHLLOKOSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000445161866 1071382206 /nfs/dbraw/zinc/38/22/06/1071382206.db2.gz RFBWNHKTGALKEO-CYBMUJFWSA-N 1 2 410.496 -0.409 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1NS(C)(=O)=O ZINC000445161921 1071382425 /nfs/dbraw/zinc/38/24/25/1071382425.db2.gz ROVJFKIADHJRGC-GFCCVEGCSA-N 1 2 414.484 -0.470 20 0 HBADLO CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)cc21 ZINC000445162610 1071382016 /nfs/dbraw/zinc/38/20/16/1071382016.db2.gz MQBPYWKWZHJOHK-CQSZACIVSA-N 1 2 401.467 -0.149 20 0 HBADLO COCC(=O)N1CCc2cc(NC(=O)C(=O)N3CC[NH+](C[C@@H](C)O)CC3)ccc21 ZINC000445163128 1071382352 /nfs/dbraw/zinc/38/23/52/1071382352.db2.gz HVANFXWYYGIIRJ-CQSZACIVSA-N 1 2 404.467 -0.314 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000445163130 1071381992 /nfs/dbraw/zinc/38/19/92/1071381992.db2.gz HWCKEKCVJXTXEH-GFCCVEGCSA-N 1 2 416.475 -0.461 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 ZINC000445163508 1071382486 /nfs/dbraw/zinc/38/24/86/1071382486.db2.gz VFCZQWHRKVNRTD-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1C(=O)OC ZINC000445163688 1071383179 /nfs/dbraw/zinc/38/31/79/1071383179.db2.gz JPZHOFMRBXPJJT-GFCCVEGCSA-N 1 2 407.423 -0.277 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000445163736 1071382953 /nfs/dbraw/zinc/38/29/53/1071382953.db2.gz KUFBXEUGBBAOFO-MRXNPFEDSA-N 1 2 418.494 -0.449 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000445163872 1071382861 /nfs/dbraw/zinc/38/28/61/1071382861.db2.gz ITTRFGMZTNWFJV-SNVBAGLBSA-N 1 2 401.261 -0.389 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1N1CCCS1(=O)=O ZINC000445163909 1071383096 /nfs/dbraw/zinc/38/30/96/1071383096.db2.gz JHMXTRCVABPNIX-OAHLLOKOSA-N 1 2 424.523 -0.002 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 ZINC000445164240 1071383033 /nfs/dbraw/zinc/38/30/33/1071383033.db2.gz KJHKXYLUPZMMHV-CYBMUJFWSA-N 1 2 406.874 0.443 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cccc1C(=O)N1CCOCC1 ZINC000445164540 1071382298 /nfs/dbraw/zinc/38/22/98/1071382298.db2.gz JTRGRGRXDMDVQF-OAHLLOKOSA-N 1 2 418.494 -0.069 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000445165286 1071382829 /nfs/dbraw/zinc/38/28/29/1071382829.db2.gz LOBASJUIPKHJDB-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445165331 1071383160 /nfs/dbraw/zinc/38/31/60/1071383160.db2.gz YQMURNHGCGRTGX-CQSZACIVSA-N 1 2 412.512 -0.163 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1 ZINC000445165822 1071383201 /nfs/dbraw/zinc/38/32/01/1071383201.db2.gz NSYNFNKJRIZKQK-OAHLLOKOSA-N 1 2 417.510 -0.148 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC000445165940 1071382985 /nfs/dbraw/zinc/38/29/85/1071382985.db2.gz MQVUAPYFIGUPSG-GFCCVEGCSA-N 1 2 401.460 -0.166 20 0 HBADLO COCC(=O)N1CCc2c1cccc2NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445166207 1071383133 /nfs/dbraw/zinc/38/31/33/1071383133.db2.gz UJCFYFPTTDRSDW-CQSZACIVSA-N 1 2 404.467 -0.314 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 ZINC000445166244 1071382786 /nfs/dbraw/zinc/38/27/86/1071382786.db2.gz OTPGUBITOHMRTR-CQSZACIVSA-N 1 2 402.451 -0.201 20 0 HBADLO COCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000445166586 1071383147 /nfs/dbraw/zinc/38/31/47/1071383147.db2.gz QHPLCMHEQKRPQK-CQSZACIVSA-N 1 2 413.496 -0.430 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1S(=O)(=O)NC1CC1 ZINC000445166655 1071383832 /nfs/dbraw/zinc/38/38/32/1071383832.db2.gz QWXSTJDUCCSEKT-CQSZACIVSA-N 1 2 424.523 -0.101 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CC1 ZINC000445166900 1071383624 /nfs/dbraw/zinc/38/36/24/1071383624.db2.gz PTQFJQHCLMAIDS-CQSZACIVSA-N 1 2 424.523 -0.067 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 ZINC000445167112 1071383014 /nfs/dbraw/zinc/38/30/14/1071383014.db2.gz SPFOJERMXKRBNJ-CQSZACIVSA-N 1 2 406.487 -0.595 20 0 HBADLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000445167487 1071382904 /nfs/dbraw/zinc/38/29/04/1071382904.db2.gz UTQWJVFFFDYJNF-GFCCVEGCSA-N 1 2 409.439 -0.046 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000445167712 1071383550 /nfs/dbraw/zinc/38/35/50/1071383550.db2.gz ROJFHNLVNBUSJT-CQSZACIVSA-N 1 2 410.496 -0.310 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000445168900 1071383858 /nfs/dbraw/zinc/38/38/58/1071383858.db2.gz YSAJNJGGCKJPGY-OAHLLOKOSA-N 1 2 404.467 -0.378 20 0 HBADLO Cc1ccn(CC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)c1 ZINC000445184096 1071386140 /nfs/dbraw/zinc/38/61/40/1071386140.db2.gz GGCCKTRYNUHPPS-UHFFFAOYSA-N 1 2 419.507 -0.180 20 0 HBADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000445187236 1071386846 /nfs/dbraw/zinc/38/68/46/1071386846.db2.gz GIMXRFDRWGUBHI-GDBMZVCRSA-N 1 2 406.439 -0.310 20 0 HBADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000445187239 1071386920 /nfs/dbraw/zinc/38/69/20/1071386920.db2.gz GIMXRFDRWGUBHI-GOEBONIOSA-N 1 2 406.439 -0.310 20 0 HBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000445187243 1071386976 /nfs/dbraw/zinc/38/69/76/1071386976.db2.gz GIMXRFDRWGUBHI-HOCLYGCPSA-N 1 2 406.439 -0.310 20 0 HBADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000445187246 1071386882 /nfs/dbraw/zinc/38/68/82/1071386882.db2.gz GIMXRFDRWGUBHI-ZBFHGGJFSA-N 1 2 406.439 -0.310 20 0 HBADLO COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000445192678 1071389090 /nfs/dbraw/zinc/38/90/90/1071389090.db2.gz JYJWEEPPDRHTRO-MSOLQXFVSA-N 1 2 418.494 -0.103 20 0 HBADLO COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000445192679 1068244807 /nfs/dbraw/zinc/24/48/07/1068244807.db2.gz JYJWEEPPDRHTRO-QZTJIDSGSA-N 1 2 418.494 -0.103 20 0 HBADLO COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000445192680 1071389154 /nfs/dbraw/zinc/38/91/54/1071389154.db2.gz JYJWEEPPDRHTRO-ROUUACIJSA-N 1 2 418.494 -0.103 20 0 HBADLO COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000445192681 1068244458 /nfs/dbraw/zinc/24/44/58/1068244458.db2.gz JYJWEEPPDRHTRO-ZWKOTPCHSA-N 1 2 418.494 -0.103 20 0 HBADLO CCOC1CC(CNC(=O)Nc2ccn(CC(=O)N(C)C)n2)([NH+]2CCOCC2)C1 ZINC000445242242 1071394881 /nfs/dbraw/zinc/39/48/81/1071394881.db2.gz JXMNFGSDIVXSPA-UHFFFAOYSA-N 1 2 408.503 0.363 20 0 HBADLO CCOC1CC(CNC(=O)NCCS(=O)(=O)NC2CC2)([NH+]2CCOCC2)C1 ZINC000445259397 1071396279 /nfs/dbraw/zinc/39/62/79/1071396279.db2.gz DCBLAIHXDIXTAL-UHFFFAOYSA-N 1 2 404.533 -0.363 20 0 HBADLO Cn1cc([C@@H]2CN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]2CO)cn1 ZINC000445267180 1071394670 /nfs/dbraw/zinc/39/46/70/1071394670.db2.gz XDXGXKVCIUTGGL-ROUUACIJSA-N 1 2 414.514 -0.250 20 0 HBADLO Cc1noc([C@H]2C[C@H](O)CN2C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000445268470 1071394761 /nfs/dbraw/zinc/39/47/61/1071394761.db2.gz ZKCLVBIGVVMLFJ-LSDHHAIUSA-N 1 2 402.459 -0.192 20 0 HBADLO CCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000445509831 1071414957 /nfs/dbraw/zinc/41/49/57/1071414957.db2.gz BMICIRFZHPIBMI-UHFFFAOYSA-N 1 2 403.549 -0.729 20 0 HBADLO CCc1noc(CC)c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000445511705 1071415711 /nfs/dbraw/zinc/41/57/11/1071415711.db2.gz KSQTYONTUSOSKP-UHFFFAOYSA-N 1 2 413.544 -0.022 20 0 HBADLO COCCN(CCOC)C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000445567857 1071419599 /nfs/dbraw/zinc/41/95/99/1071419599.db2.gz VIYLJVWXCXGILQ-UHFFFAOYSA-N 1 2 407.471 -0.471 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc3cnccc3c2=O)CC1 ZINC000445597909 1071422200 /nfs/dbraw/zinc/42/22/00/1071422200.db2.gz ULUSXZOYTPRKMN-UHFFFAOYSA-N 1 2 405.422 -0.183 20 0 HBADLO COCCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000445611589 1071422722 /nfs/dbraw/zinc/42/27/22/1071422722.db2.gz FOQFDRQTRCXKBF-UHFFFAOYSA-N 1 2 405.455 0.422 20 0 HBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000445715928 1071431124 /nfs/dbraw/zinc/43/11/24/1071431124.db2.gz KFWZSDYIJIJOTC-BZUAXINKSA-N 1 2 401.529 -0.767 20 0 HBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000445715929 1071431034 /nfs/dbraw/zinc/43/10/34/1071431034.db2.gz KFWZSDYIJIJOTC-OAGGEKHMSA-N 1 2 401.529 -0.767 20 0 HBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000445715930 1071431023 /nfs/dbraw/zinc/43/10/23/1071431023.db2.gz KFWZSDYIJIJOTC-OWCLPIDISA-N 1 2 401.529 -0.767 20 0 HBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000445715931 1071431189 /nfs/dbraw/zinc/43/11/89/1071431189.db2.gz KFWZSDYIJIJOTC-PMPSAXMXSA-N 1 2 401.529 -0.767 20 0 HBADLO Cn1cnc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000445729047 1071429640 /nfs/dbraw/zinc/42/96/40/1071429640.db2.gz YMXODTHTEUUHAY-UHFFFAOYSA-N 1 2 422.515 -0.796 20 0 HBADLO Cn1cc(C(N)=O)cc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000445837775 1071439112 /nfs/dbraw/zinc/43/91/12/1071439112.db2.gz ONMLHIVTZBQSRH-UHFFFAOYSA-N 1 2 420.495 -0.599 20 0 HBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000445962872 1071448694 /nfs/dbraw/zinc/44/86/94/1071448694.db2.gz QCMWWHAONCUOCC-BBRMVZONSA-N 1 2 417.557 -0.589 20 0 HBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000445962873 1071448511 /nfs/dbraw/zinc/44/85/11/1071448511.db2.gz QCMWWHAONCUOCC-CJNGLKHVSA-N 1 2 417.557 -0.589 20 0 HBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000445962874 1071448551 /nfs/dbraw/zinc/44/85/51/1071448551.db2.gz QCMWWHAONCUOCC-CZUORRHYSA-N 1 2 417.557 -0.589 20 0 HBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000445962875 1071448663 /nfs/dbraw/zinc/44/86/63/1071448663.db2.gz QCMWWHAONCUOCC-XJKSGUPXSA-N 1 2 417.557 -0.589 20 0 HBADLO CC(C)C[C@H]1C(=O)NCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000445989801 1071449329 /nfs/dbraw/zinc/44/93/29/1071449329.db2.gz YBOXXZJZGJQIIS-INIZCTEOSA-N 1 2 414.514 -0.142 20 0 HBADLO CC(C)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000445989802 1071449913 /nfs/dbraw/zinc/44/99/13/1071449913.db2.gz YBOXXZJZGJQIIS-MRXNPFEDSA-N 1 2 414.514 -0.142 20 0 HBADLO Cn1cnc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000446023061 1071454327 /nfs/dbraw/zinc/45/43/27/1071454327.db2.gz YSKNIZNHVFCPLN-UHFFFAOYSA-N 1 2 401.475 -0.484 20 0 HBADLO Cn1cnc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000446023061 1071454320 /nfs/dbraw/zinc/45/43/20/1071454320.db2.gz YSKNIZNHVFCPLN-UHFFFAOYSA-N 1 2 401.475 -0.484 20 0 HBADLO Cn1cnc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000446023547 1071452209 /nfs/dbraw/zinc/45/22/09/1071452209.db2.gz FVFRSOGHJRKTBV-HNNXBMFYSA-N 1 2 415.502 -0.048 20 0 HBADLO Cn1cnc(CCNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000446023547 1071452202 /nfs/dbraw/zinc/45/22/02/1071452202.db2.gz FVFRSOGHJRKTBV-HNNXBMFYSA-N 1 2 415.502 -0.048 20 0 HBADLO Cn1cnc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000446023548 1071452306 /nfs/dbraw/zinc/45/23/06/1071452306.db2.gz FVFRSOGHJRKTBV-OAHLLOKOSA-N 1 2 415.502 -0.048 20 0 HBADLO Cn1cnc(CCNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000446023548 1071452301 /nfs/dbraw/zinc/45/23/01/1071452301.db2.gz FVFRSOGHJRKTBV-OAHLLOKOSA-N 1 2 415.502 -0.048 20 0 HBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446191330 1071471137 /nfs/dbraw/zinc/47/11/37/1071471137.db2.gz IUEFFZGYNFJWSK-CYBMUJFWSA-N 1 2 411.488 -0.746 20 0 HBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000446191331 1071471021 /nfs/dbraw/zinc/47/10/21/1071471021.db2.gz IUEFFZGYNFJWSK-ZDUSSCGKSA-N 1 2 411.488 -0.746 20 0 HBADLO COc1cnccc1[C@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446194239 1071471876 /nfs/dbraw/zinc/47/18/76/1071471876.db2.gz YOOQCAJKRHYTGH-AWEZNQCLSA-N 1 2 402.455 0.435 20 0 HBADLO COc1cnccc1[C@@H](C)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446194240 1071471976 /nfs/dbraw/zinc/47/19/76/1071471976.db2.gz YOOQCAJKRHYTGH-CQSZACIVSA-N 1 2 402.455 0.435 20 0 HBADLO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1NS(C)(=O)=O ZINC000446228317 1071475441 /nfs/dbraw/zinc/47/54/41/1071475441.db2.gz QONUOVXZGFIMOR-UHFFFAOYSA-N 1 2 414.484 -0.156 20 0 HBADLO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1NS(C)(=O)=O ZINC000446228317 1071475437 /nfs/dbraw/zinc/47/54/37/1071475437.db2.gz QONUOVXZGFIMOR-UHFFFAOYSA-N 1 2 414.484 -0.156 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)Nc3ccn(CCC(N)=O)n3)ccn2)CC1 ZINC000446281787 1069554074 /nfs/dbraw/zinc/55/40/74/1069554074.db2.gz NZDCAORAOWZYCJ-UHFFFAOYSA-N 1 2 400.443 0.185 20 0 HBADLO CNC(=O)Cn1nc(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000446282322 1071479570 /nfs/dbraw/zinc/47/95/70/1071479570.db2.gz FQJQMOLUAYYOPU-UHFFFAOYSA-N 1 2 414.470 0.364 20 0 HBADLO CN(C)C(=O)Cn1ccc(NC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)n1 ZINC000446284058 1071479596 /nfs/dbraw/zinc/47/95/96/1071479596.db2.gz ZFZBUUVWHOSPDI-UHFFFAOYSA-N 1 2 414.470 0.398 20 0 HBADLO Cc1cc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1S(N)(=O)=O ZINC000446312167 1071481146 /nfs/dbraw/zinc/48/11/46/1071481146.db2.gz NJFCFKJOLIPBCH-UHFFFAOYSA-N 1 2 422.511 0.493 20 0 HBADLO CC1(C)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000446485228 1071494095 /nfs/dbraw/zinc/49/40/95/1071494095.db2.gz OKADJQJNSAMGOW-HNNXBMFYSA-N 1 2 401.529 -0.407 20 0 HBADLO CC1(C)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC000446485232 1071494133 /nfs/dbraw/zinc/49/41/33/1071494133.db2.gz OKADJQJNSAMGOW-OAHLLOKOSA-N 1 2 401.529 -0.407 20 0 HBADLO Cc1cc(C)nc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000446521407 1071500653 /nfs/dbraw/zinc/50/06/53/1071500653.db2.gz LWNAKZZZFDFJBP-UHFFFAOYSA-N 1 2 424.527 -0.727 20 0 HBADLO O=C(Cn1ccc(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)n1)N1CCOCC1 ZINC000446692893 1069578193 /nfs/dbraw/zinc/57/81/93/1069578193.db2.gz ULMIWBRBFPXROX-UHFFFAOYSA-N 1 2 423.433 0.505 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(CC(F)F)CC1 ZINC000446709783 1071509329 /nfs/dbraw/zinc/50/93/29/1071509329.db2.gz CCTVHGCKEBQEDO-UHFFFAOYSA-N 1 2 400.430 -0.437 20 0 HBADLO O=C(CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCCCCC1 ZINC000446711930 1069572059 /nfs/dbraw/zinc/57/20/59/1069572059.db2.gz OUJHNTRTPFKJGW-UHFFFAOYSA-N 1 2 420.514 0.063 20 0 HBADLO Cc1cc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1S(N)(=O)=O ZINC000446712233 1071509864 /nfs/dbraw/zinc/50/98/64/1071509864.db2.gz QKQXPOGYZYXPPS-INIZCTEOSA-N 1 2 424.523 -0.561 20 0 HBADLO Cc1cc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1S(N)(=O)=O ZINC000446712234 1071509925 /nfs/dbraw/zinc/50/99/25/1071509925.db2.gz QKQXPOGYZYXPPS-MRXNPFEDSA-N 1 2 424.523 -0.561 20 0 HBADLO O=C(NCCc1nc2ccccc2[nH]1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446714779 1069587926 /nfs/dbraw/zinc/58/79/26/1069587926.db2.gz NGEYCFSWMGTXKM-UHFFFAOYSA-N 1 2 411.466 0.389 20 0 HBADLO CCc1cnc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000446721479 1069654926 /nfs/dbraw/zinc/65/49/26/1069654926.db2.gz UQUBGRXIAXKZMJ-UHFFFAOYSA-N 1 2 406.512 0.532 20 0 HBADLO COC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(C)o1 ZINC000446721697 1069620072 /nfs/dbraw/zinc/62/00/72/1069620072.db2.gz WQWGOFOOBYKYNG-HNNXBMFYSA-N 1 2 405.455 0.559 20 0 HBADLO COC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(C)o1 ZINC000446721698 1069617857 /nfs/dbraw/zinc/61/78/57/1069617857.db2.gz WQWGOFOOBYKYNG-OAHLLOKOSA-N 1 2 405.455 0.559 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000446725381 1069583542 /nfs/dbraw/zinc/58/35/42/1069583542.db2.gz JIRNWCYYBBFHER-LLVKDONJSA-N 1 2 405.377 0.480 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000446725382 1071513172 /nfs/dbraw/zinc/51/31/72/1071513172.db2.gz JIRNWCYYBBFHER-NSHDSACASA-N 1 2 405.377 0.480 20 0 HBADLO COCCCOC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000446725508 1069601076 /nfs/dbraw/zinc/60/10/76/1069601076.db2.gz HMEKWAJBBVCRJD-UHFFFAOYSA-N 1 2 423.514 0.198 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446725776 1071512909 /nfs/dbraw/zinc/51/29/09/1071512909.db2.gz LHXSOUPNVFQGIA-CABCVRRESA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000446725777 1071513134 /nfs/dbraw/zinc/51/31/34/1071513134.db2.gz LHXSOUPNVFQGIA-GJZGRUSLSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446725778 1071513021 /nfs/dbraw/zinc/51/30/21/1071513021.db2.gz LHXSOUPNVFQGIA-HUUCEWRRSA-N 1 2 407.471 -0.046 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000446725779 1071513262 /nfs/dbraw/zinc/51/32/62/1071513262.db2.gz LHXSOUPNVFQGIA-LSDHHAIUSA-N 1 2 407.471 -0.046 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC[C@H]1C ZINC000446728028 1071513616 /nfs/dbraw/zinc/51/36/16/1071513616.db2.gz ZIRAFGHLSSFAQL-CVEARBPZSA-N 1 2 420.514 0.060 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC[C@@H]1C ZINC000446728029 1071513768 /nfs/dbraw/zinc/51/37/68/1071513768.db2.gz ZIRAFGHLSSFAQL-HOTGVXAUSA-N 1 2 420.514 0.060 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC[C@H]1C ZINC000446728030 1069663370 /nfs/dbraw/zinc/66/33/70/1069663370.db2.gz ZIRAFGHLSSFAQL-HZPDHXFCSA-N 1 2 420.514 0.060 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCC[C@@H]1C ZINC000446728031 1069663515 /nfs/dbraw/zinc/66/35/15/1069663515.db2.gz ZIRAFGHLSSFAQL-JKSUJKDBSA-N 1 2 420.514 0.060 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H](CCO)c1ccccc1 ZINC000446729803 1069608834 /nfs/dbraw/zinc/60/88/34/1069608834.db2.gz XAQSJTQPNPMRSW-KRWDZBQOSA-N 1 2 401.467 0.394 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CCO)c1ccccc1 ZINC000446729805 1069608981 /nfs/dbraw/zinc/60/89/81/1069608981.db2.gz XAQSJTQPNPMRSW-QGZVFWFLSA-N 1 2 401.467 0.394 20 0 HBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]2CCCO[C@H]21 ZINC000446730636 1071514153 /nfs/dbraw/zinc/51/41/53/1071514153.db2.gz YHGXALWQBFKPDF-DJIMGWMZSA-N 1 2 405.499 0.474 20 0 HBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]2CCCO[C@@H]21 ZINC000446730637 1071514377 /nfs/dbraw/zinc/51/43/77/1071514377.db2.gz YHGXALWQBFKPDF-OIISXLGYSA-N 1 2 405.499 0.474 20 0 HBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]2CCCO[C@@H]21 ZINC000446730638 1069585245 /nfs/dbraw/zinc/58/52/45/1069585245.db2.gz YHGXALWQBFKPDF-UAGQMJEPSA-N 1 2 405.499 0.474 20 0 HBADLO CC1(C)[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]2CCCO[C@H]21 ZINC000446730639 1069585489 /nfs/dbraw/zinc/58/54/89/1069585489.db2.gz YHGXALWQBFKPDF-USXIJHARSA-N 1 2 405.499 0.474 20 0 HBADLO CC(C)N1C(=O)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1(C)C ZINC000446731425 1069566963 /nfs/dbraw/zinc/56/69/63/1069566963.db2.gz IDEUUJADUCGRFJ-UHFFFAOYSA-N 1 2 420.514 0.012 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(OCC2CC2)CC1 ZINC000446731626 1071511248 /nfs/dbraw/zinc/51/12/48/1071511248.db2.gz JWJZSVSGBWACLD-UHFFFAOYSA-N 1 2 405.499 0.571 20 0 HBADLO CCOCCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446731855 1071511130 /nfs/dbraw/zinc/51/11/30/1071511130.db2.gz LXLUHIRWUHWTRD-UHFFFAOYSA-N 1 2 408.503 -0.666 20 0 HBADLO O=C(NCCOCc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446734543 1069587133 /nfs/dbraw/zinc/58/71/33/1069587133.db2.gz LKKQPTHLFPNXQV-UHFFFAOYSA-N 1 2 401.467 0.487 20 0 HBADLO CC(C)Cn1ccnc1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446734692 1069565904 /nfs/dbraw/zinc/56/59/04/1069565904.db2.gz LURPWMMHRFIGSS-UHFFFAOYSA-N 1 2 403.487 0.323 20 0 HBADLO O=C(NC[C@@H](CCO)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446738384 1071516638 /nfs/dbraw/zinc/51/66/38/1071516638.db2.gz HMIGKZAULPIRIO-GOSISDBHSA-N 1 2 415.494 0.436 20 0 HBADLO O=C(NC[C@H](CCO)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446738385 1071516395 /nfs/dbraw/zinc/51/63/95/1071516395.db2.gz HMIGKZAULPIRIO-SFHVURJKSA-N 1 2 415.494 0.436 20 0 HBADLO COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000446741478 1071514908 /nfs/dbraw/zinc/51/49/08/1071514908.db2.gz AIJBUZIIBMQGLV-UHFFFAOYSA-N 1 2 412.516 -0.590 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCCCC1 ZINC000446747526 1069551327 /nfs/dbraw/zinc/55/13/27/1069551327.db2.gz FJWXRRZFZQGQSW-HNNXBMFYSA-N 1 2 406.487 -0.329 20 0 HBADLO CN(C(=O)CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C1CCCCC1 ZINC000446747596 1069664307 /nfs/dbraw/zinc/66/43/07/1069664307.db2.gz GABSAOSZSLLUME-UHFFFAOYSA-N 1 2 420.514 0.061 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCCCC1 ZINC000446748677 1071515905 /nfs/dbraw/zinc/51/59/05/1071515905.db2.gz RUADAIJBPOGURX-HNNXBMFYSA-N 1 2 406.487 -0.329 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1ccccc1 ZINC000446767155 1071516465 /nfs/dbraw/zinc/51/64/65/1071516465.db2.gz CKUUIYAAUIPDPP-HNNXBMFYSA-N 1 2 414.466 0.297 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)Nc1ccccc1 ZINC000446767156 1071516949 /nfs/dbraw/zinc/51/69/49/1071516949.db2.gz CKUUIYAAUIPDPP-OAHLLOKOSA-N 1 2 414.466 0.297 20 0 HBADLO Cn1nccc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000446770159 1071517288 /nfs/dbraw/zinc/51/72/88/1071517288.db2.gz UGIWBLZBIYLNCO-AWEZNQCLSA-N 1 2 414.470 -0.230 20 0 HBADLO Cn1nccc1NC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000446770159 1071517277 /nfs/dbraw/zinc/51/72/77/1071517277.db2.gz UGIWBLZBIYLNCO-AWEZNQCLSA-N 1 2 414.470 -0.230 20 0 HBADLO Cn1nccc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000446770161 1071517220 /nfs/dbraw/zinc/51/72/20/1071517220.db2.gz UGIWBLZBIYLNCO-CQSZACIVSA-N 1 2 414.470 -0.230 20 0 HBADLO Cn1nccc1NC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000446770161 1071517207 /nfs/dbraw/zinc/51/72/07/1071517207.db2.gz UGIWBLZBIYLNCO-CQSZACIVSA-N 1 2 414.470 -0.230 20 0 HBADLO CN(CCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)CC(F)(F)F ZINC000446772261 1071517551 /nfs/dbraw/zinc/51/75/51/1071517551.db2.gz FUAXBIAGKXBUMF-UHFFFAOYSA-N 1 2 406.409 -0.236 20 0 HBADLO CN(C)C(=O)C1(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCCC1 ZINC000446773009 1071517927 /nfs/dbraw/zinc/51/79/27/1071517927.db2.gz ASXYWDQFXUWYRL-UHFFFAOYSA-N 1 2 420.514 -0.081 20 0 HBADLO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446774080 1071517899 /nfs/dbraw/zinc/51/78/99/1071517899.db2.gz FFPNRPMNIILEGF-CVEARBPZSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446774083 1071517646 /nfs/dbraw/zinc/51/76/46/1071517646.db2.gz FFPNRPMNIILEGF-HOTGVXAUSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446774086 1071517587 /nfs/dbraw/zinc/51/75/87/1071517587.db2.gz FFPNRPMNIILEGF-HZPDHXFCSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446774089 1071517726 /nfs/dbraw/zinc/51/77/26/1071517726.db2.gz FFPNRPMNIILEGF-JKSUJKDBSA-N 1 2 420.514 -0.083 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(Cc2ncc[nH]2)CC1 ZINC000446774423 1071517873 /nfs/dbraw/zinc/51/78/73/1071517873.db2.gz GGNYTVPYDYTOTA-UHFFFAOYSA-N 1 2 416.486 -0.779 20 0 HBADLO CN(CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)CC(F)(F)F ZINC000446775678 1071517691 /nfs/dbraw/zinc/51/76/91/1071517691.db2.gz KZINYESAWBZQOV-UHFFFAOYSA-N 1 2 406.409 -0.236 20 0 HBADLO CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446778792 1069542929 /nfs/dbraw/zinc/54/29/29/1069542929.db2.gz YMHASWSQLGSVIN-CVEARBPZSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446778793 1071520586 /nfs/dbraw/zinc/52/05/86/1071520586.db2.gz YMHASWSQLGSVIN-HOTGVXAUSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446778794 1071520483 /nfs/dbraw/zinc/52/04/83/1071520483.db2.gz YMHASWSQLGSVIN-HZPDHXFCSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446778795 1071520288 /nfs/dbraw/zinc/52/02/88/1071520288.db2.gz YMHASWSQLGSVIN-JKSUJKDBSA-N 1 2 420.514 -0.083 20 0 HBADLO CN(C)C(=O)C1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCCC1 ZINC000446778886 1071520667 /nfs/dbraw/zinc/52/06/67/1071520667.db2.gz XZXYQTISWLTBRT-UHFFFAOYSA-N 1 2 420.514 -0.081 20 0 HBADLO Cn1nccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000446779659 1071520371 /nfs/dbraw/zinc/52/03/71/1071520371.db2.gz AUJFPLXDIDFXIP-UHFFFAOYSA-N 1 2 400.443 -0.666 20 0 HBADLO Cn1nccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000446779659 1071520365 /nfs/dbraw/zinc/52/03/65/1071520365.db2.gz AUJFPLXDIDFXIP-UHFFFAOYSA-N 1 2 400.443 -0.666 20 0 HBADLO CCn1nccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000446780196 1071520411 /nfs/dbraw/zinc/52/04/11/1071520411.db2.gz HNNUSNJRIGPBBP-UHFFFAOYSA-N 1 2 414.470 -0.183 20 0 HBADLO CCn1nccc1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000446780196 1071520398 /nfs/dbraw/zinc/52/03/98/1071520398.db2.gz HNNUSNJRIGPBBP-UHFFFAOYSA-N 1 2 414.470 -0.183 20 0 HBADLO O=C(NCCn1cnc2ccccc21)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446788422 1069588423 /nfs/dbraw/zinc/58/84/23/1069588423.db2.gz XBWTZQHRIKINEP-UHFFFAOYSA-N 1 2 411.466 0.320 20 0 HBADLO O=C(NCCOc1ncccc1Cl)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446794300 1069587345 /nfs/dbraw/zinc/58/73/45/1069587345.db2.gz IWVYIYLYWMUDLM-UHFFFAOYSA-N 1 2 422.873 0.397 20 0 HBADLO CC1(C)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCS1(=O)=O ZINC000446797791 1071519862 /nfs/dbraw/zinc/51/98/62/1071519862.db2.gz ZUQQAOOJKCYKQJ-UHFFFAOYSA-N 1 2 413.500 -0.811 20 0 HBADLO O=C(NCCOc1ccc(Cl)cn1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446803041 1069587171 /nfs/dbraw/zinc/58/71/71/1069587171.db2.gz SVUHBOZJPSNMLO-UHFFFAOYSA-N 1 2 422.873 0.397 20 0 HBADLO O=C(NC[C@@H](CO)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446804284 1071524680 /nfs/dbraw/zinc/52/46/80/1071524680.db2.gz QUBRKMIETAQFTB-KRWDZBQOSA-N 1 2 401.467 0.046 20 0 HBADLO O=C(NC[C@H](CO)c1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446804285 1069589668 /nfs/dbraw/zinc/58/96/68/1069589668.db2.gz QUBRKMIETAQFTB-QGZVFWFLSA-N 1 2 401.467 0.046 20 0 HBADLO CC(C)OCCN1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000446805057 1071524518 /nfs/dbraw/zinc/52/45/18/1071524518.db2.gz ZQGUUQFECANWDE-UHFFFAOYSA-N 1 2 422.530 -0.277 20 0 HBADLO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446805436 1071525487 /nfs/dbraw/zinc/52/54/87/1071525487.db2.gz DLCCDFGTGGXHJI-HNNXBMFYSA-N 1 2 407.471 -0.045 20 0 HBADLO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446806425 1069626072 /nfs/dbraw/zinc/62/60/72/1069626072.db2.gz OONBFNIOMAJROE-HNNXBMFYSA-N 1 2 407.471 -0.045 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000446806862 1069608280 /nfs/dbraw/zinc/60/82/80/1069608280.db2.gz TTYMRGQZUPDPBW-INIZCTEOSA-N 1 2 403.439 0.347 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000446806863 1071525229 /nfs/dbraw/zinc/52/52/29/1071525229.db2.gz TTYMRGQZUPDPBW-MRXNPFEDSA-N 1 2 403.439 0.347 20 0 HBADLO COC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446807049 1071525457 /nfs/dbraw/zinc/52/54/57/1071525457.db2.gz VWJJCLLIHWPCRY-GOSISDBHSA-N 1 2 415.494 0.528 20 0 HBADLO COC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446807050 1069620044 /nfs/dbraw/zinc/62/00/44/1069620044.db2.gz VWJJCLLIHWPCRY-SFHVURJKSA-N 1 2 415.494 0.528 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2cccs2)CC1 ZINC000446807112 1069608137 /nfs/dbraw/zinc/60/81/37/1069608137.db2.gz WSHQTGXGFUHEKW-UHFFFAOYSA-N 1 2 418.523 0.564 20 0 HBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000446807723 1071525188 /nfs/dbraw/zinc/52/51/88/1071525188.db2.gz DLCCDFGTGGXHJI-OAHLLOKOSA-N 1 2 407.471 -0.045 20 0 HBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446808985 1069625256 /nfs/dbraw/zinc/62/52/56/1069625256.db2.gz OONBFNIOMAJROE-OAHLLOKOSA-N 1 2 407.471 -0.045 20 0 HBADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000446810980 1069556024 /nfs/dbraw/zinc/55/60/24/1069556024.db2.gz UOAWSCRFVKASBG-DLBZAZTESA-N 1 2 415.498 0.460 20 0 HBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@H]1n1cc[nH+]c1 ZINC000446810981 1071522760 /nfs/dbraw/zinc/52/27/60/1071522760.db2.gz UOAWSCRFVKASBG-IAGOWNOFSA-N 1 2 415.498 0.460 20 0 HBADLO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000446810982 1069555881 /nfs/dbraw/zinc/55/58/81/1069555881.db2.gz UOAWSCRFVKASBG-IRXDYDNUSA-N 1 2 415.498 0.460 20 0 HBADLO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)C[C@@H]1n1cc[nH+]c1 ZINC000446810983 1069667741 /nfs/dbraw/zinc/66/77/41/1069667741.db2.gz UOAWSCRFVKASBG-SJORKVTESA-N 1 2 415.498 0.460 20 0 HBADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000446811159 1071522026 /nfs/dbraw/zinc/52/20/26/1071522026.db2.gz WRZZTIZDMHLPJZ-FMKPAKJESA-N 1 2 404.471 -0.721 20 0 HBADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000446811160 1071521842 /nfs/dbraw/zinc/52/18/42/1071521842.db2.gz WRZZTIZDMHLPJZ-IIAWOOMASA-N 1 2 404.471 -0.721 20 0 HBADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000446811161 1071522013 /nfs/dbraw/zinc/52/20/13/1071522013.db2.gz WRZZTIZDMHLPJZ-IJEWVQPXSA-N 1 2 404.471 -0.721 20 0 HBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000446811162 1071521964 /nfs/dbraw/zinc/52/19/64/1071521964.db2.gz WRZZTIZDMHLPJZ-YCPHGPKFSA-N 1 2 404.471 -0.721 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000446813589 1071523310 /nfs/dbraw/zinc/52/33/10/1071523310.db2.gz RLKJSNSMHIEHIJ-KRWDZBQOSA-N 1 2 414.466 0.229 20 0 HBADLO CC(C)(C)OC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446815598 1069551159 /nfs/dbraw/zinc/55/11/59/1069551159.db2.gz WLBJERUXTQPSMK-HNNXBMFYSA-N 1 2 421.498 0.344 20 0 HBADLO CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000446815599 1069550673 /nfs/dbraw/zinc/55/06/73/1069550673.db2.gz WLBJERUXTQPSMK-OAHLLOKOSA-N 1 2 421.498 0.344 20 0 HBADLO COc1cccc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000446818272 1069645393 /nfs/dbraw/zinc/64/53/93/1069645393.db2.gz MVIPOTRBOHUVGA-UHFFFAOYSA-N 1 2 402.455 -0.084 20 0 HBADLO Cc1ccsc1[C@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446818526 1069635003 /nfs/dbraw/zinc/63/50/03/1069635003.db2.gz OEQPINJCUMXOTP-AWEZNQCLSA-N 1 2 407.496 0.374 20 0 HBADLO Cc1ccsc1[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446818528 1069634863 /nfs/dbraw/zinc/63/48/63/1069634863.db2.gz OEQPINJCUMXOTP-CQSZACIVSA-N 1 2 407.496 0.374 20 0 HBADLO COC(=O)c1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000446818958 1071523825 /nfs/dbraw/zinc/52/38/25/1071523825.db2.gz QUGQSYVSTZAMKW-UHFFFAOYSA-N 1 2 415.450 0.257 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000446820417 1071525892 /nfs/dbraw/zinc/52/58/92/1071525892.db2.gz CGOMMNRIWKNXIS-AWEZNQCLSA-N 1 2 403.439 -0.183 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000446820418 1071525937 /nfs/dbraw/zinc/52/59/37/1071525937.db2.gz CGOMMNRIWKNXIS-CQSZACIVSA-N 1 2 403.439 -0.183 20 0 HBADLO COc1cccc(CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000446820720 1071526037 /nfs/dbraw/zinc/52/60/37/1071526037.db2.gz GYGMFGYQOOCENU-UHFFFAOYSA-N 1 2 402.455 -0.084 20 0 HBADLO CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446823507 1069610427 /nfs/dbraw/zinc/61/04/27/1069610427.db2.gz MZEMJPWTKZWQQD-INIZCTEOSA-N 1 2 420.514 0.013 20 0 HBADLO CCN(CC)C(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000446823508 1069611208 /nfs/dbraw/zinc/61/12/08/1069611208.db2.gz MZEMJPWTKZWQQD-MRXNPFEDSA-N 1 2 420.514 0.013 20 0 HBADLO CC(C)(C)N1C[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000446826275 1071526670 /nfs/dbraw/zinc/52/66/70/1071526670.db2.gz MYYVFDNLRDLYGS-AWEZNQCLSA-N 1 2 406.487 -0.331 20 0 HBADLO CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1=O ZINC000446826277 1071526756 /nfs/dbraw/zinc/52/67/56/1071526756.db2.gz MYYVFDNLRDLYGS-CQSZACIVSA-N 1 2 406.487 -0.331 20 0 HBADLO CC(C)(C)N1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000446828220 1069549890 /nfs/dbraw/zinc/54/98/90/1069549890.db2.gz YXIXIZUWLGSQQS-AWEZNQCLSA-N 1 2 406.487 -0.331 20 0 HBADLO CC(C)(C)N1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1=O ZINC000446828224 1069549983 /nfs/dbraw/zinc/54/99/83/1069549983.db2.gz YXIXIZUWLGSQQS-CQSZACIVSA-N 1 2 406.487 -0.331 20 0 HBADLO CCOC1CC(CNC(=O)N2CCN(S(=O)(=O)CC)CC2)([NH+]2CCOCC2)C1 ZINC000446926730 1071533618 /nfs/dbraw/zinc/53/36/18/1071533618.db2.gz ANWWXLTZNUDZSX-UHFFFAOYSA-N 1 2 418.560 -0.067 20 0 HBADLO CCOC1CC(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000446935633 1071535077 /nfs/dbraw/zinc/53/50/77/1071535077.db2.gz GQELCLSUQNDVGD-PGYGNJIDSA-N 1 2 414.547 -0.409 20 0 HBADLO CCOC1CC(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000446935634 1071535132 /nfs/dbraw/zinc/53/51/32/1071535132.db2.gz GQELCLSUQNDVGD-ZJRDLVKKSA-N 1 2 414.547 -0.409 20 0 HBADLO CCOC1CC(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000446936049 1071534384 /nfs/dbraw/zinc/53/43/84/1071534384.db2.gz JRIVMQHROAJTOV-SKINQDTJSA-N 1 2 414.547 -0.361 20 0 HBADLO CCOC1CC(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)(N2CCOCC2)C1 ZINC000446936050 1071534360 /nfs/dbraw/zinc/53/43/60/1071534360.db2.gz JRIVMQHROAJTOV-SYYJFZTOSA-N 1 2 414.547 -0.361 20 0 HBADLO Cc1cc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1S(N)(=O)=O ZINC000447000460 1071538175 /nfs/dbraw/zinc/53/81/75/1071538175.db2.gz LRNRQLPNHIIJIF-HNNXBMFYSA-N 1 2 400.501 -0.523 20 0 HBADLO Cc1cc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1S(N)(=O)=O ZINC000447000463 1071538104 /nfs/dbraw/zinc/53/81/04/1071538104.db2.gz LRNRQLPNHIIJIF-OAHLLOKOSA-N 1 2 400.501 -0.523 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)CC1 ZINC000447014797 1071539225 /nfs/dbraw/zinc/53/92/25/1071539225.db2.gz CSSLCEMSMGVCLV-UHFFFAOYSA-N 1 2 422.511 -0.117 20 0 HBADLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000447022123 1071540443 /nfs/dbraw/zinc/54/04/43/1071540443.db2.gz CGUZCWCFYFVGDE-HNNXBMFYSA-N 1 2 400.501 -0.523 20 0 HBADLO Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000447022125 1071540634 /nfs/dbraw/zinc/54/06/34/1071540634.db2.gz CGUZCWCFYFVGDE-OAHLLOKOSA-N 1 2 400.501 -0.523 20 0 HBADLO O=C(Nc1ccc(I)cn1)C(=O)N1CC[NH+](CCO)CC1 ZINC000447044916 1071541229 /nfs/dbraw/zinc/54/12/29/1071541229.db2.gz QIHYCTMJOVXSQO-UHFFFAOYSA-N 1 2 404.208 -0.239 20 0 HBADLO Cc1oc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1S(N)(=O)=O ZINC000447102931 1071543157 /nfs/dbraw/zinc/54/31/57/1071543157.db2.gz UPDVJEHGWUXMIZ-UHFFFAOYSA-N 1 2 405.440 -0.125 20 0 HBADLO Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000447130145 1071546178 /nfs/dbraw/zinc/54/61/78/1071546178.db2.gz XTPNHEWBEVFPNQ-UHFFFAOYSA-N 1 2 410.544 -0.172 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000447141975 1071549095 /nfs/dbraw/zinc/54/90/95/1071549095.db2.gz GQZQBXXOVWOJQH-GFCCVEGCSA-N 1 2 401.261 -0.066 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Br)cn1 ZINC000447141976 1071549132 /nfs/dbraw/zinc/54/91/32/1071549132.db2.gz GQZQBXXOVWOJQH-LBPRGKRZSA-N 1 2 401.261 -0.066 20 0 HBADLO Cn1nc(S(C)(=O)=O)c2c1ncn(C[C@@H](O)C[N@H+]1CCc3ccccc3C1)c2=O ZINC000447164545 1071548744 /nfs/dbraw/zinc/54/87/44/1071548744.db2.gz CXFMQFUGMCOSPM-HNNXBMFYSA-N 1 2 417.491 -0.047 20 0 HBADLO Cn1nc(S(C)(=O)=O)c2c1ncn(C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)c2=O ZINC000447164545 1071548736 /nfs/dbraw/zinc/54/87/36/1071548736.db2.gz CXFMQFUGMCOSPM-HNNXBMFYSA-N 1 2 417.491 -0.047 20 0 HBADLO Cn1nc(S(C)(=O)=O)c2c1ncn(C[C@H](O)C[N@H+]1CCc3ccccc3C1)c2=O ZINC000447164646 1071549152 /nfs/dbraw/zinc/54/91/52/1071549152.db2.gz CXFMQFUGMCOSPM-OAHLLOKOSA-N 1 2 417.491 -0.047 20 0 HBADLO Cn1nc(S(C)(=O)=O)c2c1ncn(C[C@H](O)C[N@@H+]1CCc3ccccc3C1)c2=O ZINC000447164646 1071549148 /nfs/dbraw/zinc/54/91/48/1071549148.db2.gz CXFMQFUGMCOSPM-OAHLLOKOSA-N 1 2 417.491 -0.047 20 0 HBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000447188119 1071550208 /nfs/dbraw/zinc/55/02/08/1071550208.db2.gz WEMQFJIYLLUSGL-HNNXBMFYSA-N 1 2 419.573 -0.549 20 0 HBADLO CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000447188123 1071550705 /nfs/dbraw/zinc/55/07/05/1071550705.db2.gz WEMQFJIYLLUSGL-OAHLLOKOSA-N 1 2 419.573 -0.549 20 0 HBADLO CCS(=O)(=O)NCCS(=O)(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000447198699 1071554048 /nfs/dbraw/zinc/55/40/48/1071554048.db2.gz HGASGOFMCLAYPD-UHFFFAOYSA-N 1 2 422.548 -0.194 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC[N@H+]1CCO ZINC000447235636 1068964715 /nfs/dbraw/zinc/96/47/15/1068964715.db2.gz SXMMPRAZTVCCJI-AWEZNQCLSA-N 1 2 416.486 -0.677 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC[N@@H+]1CCO ZINC000447235636 1068964699 /nfs/dbraw/zinc/96/46/99/1068964699.db2.gz SXMMPRAZTVCCJI-AWEZNQCLSA-N 1 2 416.486 -0.677 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC[N@H+]1CCO ZINC000447235657 1068964525 /nfs/dbraw/zinc/96/45/25/1068964525.db2.gz SXMMPRAZTVCCJI-CQSZACIVSA-N 1 2 416.486 -0.677 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)CC[N@@H+]1CCO ZINC000447235657 1068964511 /nfs/dbraw/zinc/96/45/11/1068964511.db2.gz SXMMPRAZTVCCJI-CQSZACIVSA-N 1 2 416.486 -0.677 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000447263337 1068967830 /nfs/dbraw/zinc/96/78/30/1068967830.db2.gz IVKIKRTVWCFANG-UHFFFAOYSA-N 1 2 424.527 -0.727 20 0 HBADLO CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000447278128 1068968425 /nfs/dbraw/zinc/96/84/25/1068968425.db2.gz AJQUHEDAUZRPNT-FOIQADDNSA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000447278129 1068968304 /nfs/dbraw/zinc/96/83/04/1068968304.db2.gz AJQUHEDAUZRPNT-MGPUTAFESA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000447278130 1068968313 /nfs/dbraw/zinc/96/83/13/1068968313.db2.gz AJQUHEDAUZRPNT-QRWLVFNGSA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000447278131 1068968397 /nfs/dbraw/zinc/96/83/97/1068968397.db2.gz AJQUHEDAUZRPNT-YWZLYKJASA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@H]1C[C@@](CO)(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000447282461 1068968784 /nfs/dbraw/zinc/96/87/84/1068968784.db2.gz ZCYPAXNKDSYSBC-JXFKEZNVSA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@H]1C[C@](CO)(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000447282462 1068968887 /nfs/dbraw/zinc/96/88/87/1068968887.db2.gz ZCYPAXNKDSYSBC-OXJNMPFZSA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@@H]1C[C@](CO)(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000447282463 1068969178 /nfs/dbraw/zinc/96/91/78/1068969178.db2.gz ZCYPAXNKDSYSBC-OXQOHEQNSA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@@H]1C[C@@](CO)(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1(C)C ZINC000447282464 1068969140 /nfs/dbraw/zinc/96/91/40/1068969140.db2.gz ZCYPAXNKDSYSBC-UZLBHIALSA-N 1 2 423.514 -0.164 20 0 HBADLO 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421.560 -0.486 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000447370346 1068973542 /nfs/dbraw/zinc/97/35/42/1068973542.db2.gz AHEPUCJCDQHFPU-BRWVUGGUSA-N 1 2 421.560 -0.486 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)C[C@H](C)O1 ZINC000447370349 1068973380 /nfs/dbraw/zinc/97/33/80/1068973380.db2.gz AHEPUCJCDQHFPU-IXDOHACOSA-N 1 2 421.560 -0.486 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)C[C@@H](C)O1 ZINC000447370352 1068973608 /nfs/dbraw/zinc/97/36/08/1068973608.db2.gz AHEPUCJCDQHFPU-ZACQAIPSSA-N 1 2 421.560 -0.486 20 0 HBADLO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000447379538 1068973773 /nfs/dbraw/zinc/97/37/73/1068973773.db2.gz BUEDGTSPMIPUJR-GDBMZVCRSA-N 1 2 415.512 -0.073 20 0 HBADLO COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)C1 ZINC000447379538 1068973739 /nfs/dbraw/zinc/97/37/39/1068973739.db2.gz BUEDGTSPMIPUJR-GDBMZVCRSA-N 1 2 415.512 -0.073 20 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COC(=O)[C@@H]1CNC(=O)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000447916624 1069018150 /nfs/dbraw/zinc/01/81/50/1069018150.db2.gz PITFYCUPGXPZAV-KRWDZBQOSA-N 1 2 404.467 -0.892 20 0 HBADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000447916625 1069018290 /nfs/dbraw/zinc/01/82/90/1069018290.db2.gz PITFYCUPGXPZAV-QGZVFWFLSA-N 1 2 404.467 -0.892 20 0 HBADLO COC(=O)[C@@H]1CNC(=O)CN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000447924974 1069016442 /nfs/dbraw/zinc/01/64/42/1069016442.db2.gz XVHRQMQWPHOIIX-HNNXBMFYSA-N 1 2 418.498 -0.470 20 0 HBADLO COC(=O)[C@H]1CNC(=O)CN1CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000447924975 1069016300 /nfs/dbraw/zinc/01/63/00/1069016300.db2.gz XVHRQMQWPHOIIX-OAHLLOKOSA-N 1 2 418.498 -0.470 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(=O)N(C2CC2)C1 ZINC000447970474 1069022490 /nfs/dbraw/zinc/02/24/90/1069022490.db2.gz DOOAWTFHZCQSET-UHFFFAOYSA-N 1 2 422.511 -0.493 20 0 HBADLO Cc1ccc(NC(=O)C[N@@H+](CCO)CCN2CCOCC2)cc1S(N)(=O)=O ZINC000448096252 1069354837 /nfs/dbraw/zinc/35/48/37/1069354837.db2.gz DEWBMOOESGXRFT-UHFFFAOYSA-N 1 2 400.501 -0.793 20 0 HBADLO Cc1ccc(NC(=O)C[N@H+](CCO)CCN2CCOCC2)cc1S(N)(=O)=O ZINC000448096252 1069354823 /nfs/dbraw/zinc/35/48/23/1069354823.db2.gz DEWBMOOESGXRFT-UHFFFAOYSA-N 1 2 400.501 -0.793 20 0 HBADLO CCC(=O)N1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000448156269 1069030779 /nfs/dbraw/zinc/03/07/79/1069030779.db2.gz OFDMJTTVISKINC-INIZCTEOSA-N 1 2 423.539 -0.092 20 0 HBADLO CCC(=O)N1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000448156270 1069030751 /nfs/dbraw/zinc/03/07/51/1069030751.db2.gz OFDMJTTVISKINC-MRXNPFEDSA-N 1 2 423.539 -0.092 20 0 HBADLO COC(=O)Cn1cc(CC[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)nn1 ZINC000448158700 1069030699 /nfs/dbraw/zinc/03/06/99/1069030699.db2.gz GDVJAGOEFNCASJ-UHFFFAOYSA-N 1 2 400.483 -0.072 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC2(CCOCC2)O1 ZINC000448327656 1069556432 /nfs/dbraw/zinc/55/64/32/1069556432.db2.gz MHEXRKKQEVPFJT-INIZCTEOSA-N 1 2 421.498 -0.050 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC2(CCOCC2)O1 ZINC000448327657 1069041955 /nfs/dbraw/zinc/04/19/55/1069041955.db2.gz MHEXRKKQEVPFJT-MRXNPFEDSA-N 1 2 421.498 -0.050 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC2(CCOCC2)O1 ZINC000448329821 1069042069 /nfs/dbraw/zinc/04/20/69/1069042069.db2.gz XYAAEYFGZPFVCX-INIZCTEOSA-N 1 2 421.498 -0.050 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC2(CCOCC2)O1 ZINC000448329822 1069042995 /nfs/dbraw/zinc/04/29/95/1069042995.db2.gz XYAAEYFGZPFVCX-MRXNPFEDSA-N 1 2 421.498 -0.050 20 0 HBADLO CNC(=O)C(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000448339772 1069041446 /nfs/dbraw/zinc/04/14/46/1069041446.db2.gz RBZAXYHJTVZJBN-UHFFFAOYSA-N 1 2 405.503 -0.083 20 0 HBADLO CNC(=O)C(C)(C)CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000448339772 1069041441 /nfs/dbraw/zinc/04/14/41/1069041441.db2.gz RBZAXYHJTVZJBN-UHFFFAOYSA-N 1 2 405.503 -0.083 20 0 HBADLO O=C(NCCNS(=O)(=O)c1cccnc1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448363697 1069043129 /nfs/dbraw/zinc/04/31/29/1069043129.db2.gz CRKQUMQNOOYLNZ-UHFFFAOYSA-N 1 2 423.499 -0.290 20 0 HBADLO O=C(NCCNS(=O)(=O)c1cccnc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448366081 1069044475 /nfs/dbraw/zinc/04/44/75/1069044475.db2.gz ZQKRPHSAYXIADK-UHFFFAOYSA-N 1 2 423.499 -0.290 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)cc2)CC1 ZINC000448386220 1069045296 /nfs/dbraw/zinc/04/52/96/1069045296.db2.gz GVHKJOSTURKNEJ-MOPGFXCFSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)cc2)CC1 ZINC000448386226 1069045386 /nfs/dbraw/zinc/04/53/86/1069045386.db2.gz GVHKJOSTURKNEJ-OALUTQOASA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)cc2)CC1 ZINC000448386228 1069045463 /nfs/dbraw/zinc/04/54/63/1069045463.db2.gz GVHKJOSTURKNEJ-RBUKOAKNSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)cc2)CC1 ZINC000448386229 1069045333 /nfs/dbraw/zinc/04/53/33/1069045333.db2.gz GVHKJOSTURKNEJ-RTBURBONSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H](CO)[C@@H]2CCCO2)CC1 ZINC000448389238 1069046384 /nfs/dbraw/zinc/04/63/84/1069046384.db2.gz LWXDNDPYIPCXMA-MOPGFXCFSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000448389241 1069046457 /nfs/dbraw/zinc/04/64/57/1069046457.db2.gz LWXDNDPYIPCXMA-OALUTQOASA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](CO)[C@H]2CCCO2)CC1 ZINC000448389244 1069046086 /nfs/dbraw/zinc/04/60/86/1069046086.db2.gz LWXDNDPYIPCXMA-RBUKOAKNSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H](CO)[C@H]2CCCO2)CC1 ZINC000448389247 1069046208 /nfs/dbraw/zinc/04/62/08/1069046208.db2.gz LWXDNDPYIPCXMA-RTBURBONSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](CO)[C@@H]3CCCO3)c2)CC1 ZINC000448394221 1069046869 /nfs/dbraw/zinc/04/68/69/1069046869.db2.gz YZPIEDGGKCQXTK-MOPGFXCFSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](CO)[C@@H]3CCCO3)c2)CC1 ZINC000448394222 1069047042 /nfs/dbraw/zinc/04/70/42/1069047042.db2.gz YZPIEDGGKCQXTK-OALUTQOASA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](CO)[C@H]3CCCO3)c2)CC1 ZINC000448394223 1069046817 /nfs/dbraw/zinc/04/68/17/1069046817.db2.gz YZPIEDGGKCQXTK-RBUKOAKNSA-N 1 2 418.494 -0.055 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](CO)[C@H]3CCCO3)c2)CC1 ZINC000448394224 1069046714 /nfs/dbraw/zinc/04/67/14/1069046714.db2.gz YZPIEDGGKCQXTK-RTBURBONSA-N 1 2 418.494 -0.055 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)N3CC(=O)N(C4CC4)C3)ccn2)CC1 ZINC000448414901 1069048734 /nfs/dbraw/zinc/04/87/34/1069048734.db2.gz FIHSBOUTPOZGPB-UHFFFAOYSA-N 1 2 400.439 -0.802 20 0 HBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C[C@@H](C)O2 ZINC000448441878 1069640734 /nfs/dbraw/zinc/64/07/34/1069640734.db2.gz BFVLKVPPSQHALR-GQIGUUNPSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C[C@@H](C)O2 ZINC000448441879 1069640826 /nfs/dbraw/zinc/64/08/26/1069640826.db2.gz BFVLKVPPSQHALR-GUXCAODWSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C[C@@H](C)O2 ZINC000448441880 1069640854 /nfs/dbraw/zinc/64/08/54/1069640854.db2.gz BFVLKVPPSQHALR-JXXFODFXSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)C[C@@H](C)O2 ZINC000448441881 1069640800 /nfs/dbraw/zinc/64/08/00/1069640800.db2.gz BFVLKVPPSQHALR-QINHECLXSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@@H](C)O2 ZINC000448442115 1069051722 /nfs/dbraw/zinc/05/17/22/1069051722.db2.gz CVPVWCRUZWWFJF-GQIGUUNPSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@@H](C)O2 ZINC000448442116 1069051772 /nfs/dbraw/zinc/05/17/72/1069051772.db2.gz CVPVWCRUZWWFJF-GUXCAODWSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@H]1OCC[C@@]12CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@@H](C)O2 ZINC000448442117 1069051871 /nfs/dbraw/zinc/05/18/71/1069051871.db2.gz CVPVWCRUZWWFJF-JXXFODFXSA-N 1 2 421.498 -0.051 20 0 HBADLO C[C@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)C[C@@H](C)O2 ZINC000448442118 1069051750 /nfs/dbraw/zinc/05/17/50/1069051750.db2.gz CVPVWCRUZWWFJF-QINHECLXSA-N 1 2 421.498 -0.051 20 0 HBADLO O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448450124 1069053585 /nfs/dbraw/zinc/05/35/85/1069053585.db2.gz ZDLWFXBTSYHAQJ-KBPBESRZSA-N 1 2 420.432 -0.163 20 0 HBADLO O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448450125 1069053487 /nfs/dbraw/zinc/05/34/87/1069053487.db2.gz ZDLWFXBTSYHAQJ-KGLIPLIRSA-N 1 2 420.432 -0.163 20 0 HBADLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448450126 1069053451 /nfs/dbraw/zinc/05/34/51/1069053451.db2.gz ZDLWFXBTSYHAQJ-UONOGXRCSA-N 1 2 420.432 -0.163 20 0 HBADLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000448450127 1069053550 /nfs/dbraw/zinc/05/35/50/1069053550.db2.gz ZDLWFXBTSYHAQJ-ZIAGYGMSSA-N 1 2 420.432 -0.163 20 0 HBADLO CN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448475724 1069551842 /nfs/dbraw/zinc/55/18/42/1069551842.db2.gz VUDOBAPFIYQNAN-UHFFFAOYSA-N 1 2 415.450 0.541 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000448476623 1069707176 /nfs/dbraw/zinc/70/71/76/1069707176.db2.gz BIGWFMIDVIPAEZ-UHFFFAOYSA-N 1 2 413.482 -0.102 20 0 HBADLO CN(C)c1ncccc1CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000448476915 1069058652 /nfs/dbraw/zinc/05/86/52/1069058652.db2.gz DZCFBBKKFOPMEZ-UHFFFAOYSA-N 1 2 401.471 -0.069 20 0 HBADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cn1 ZINC000448477365 1069549392 /nfs/dbraw/zinc/54/93/92/1069549392.db2.gz HNQVRKODCVEIFH-UHFFFAOYSA-N 1 2 401.471 -0.069 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000448478193 1069059653 /nfs/dbraw/zinc/05/96/53/1069059653.db2.gz MBLTXBZRBPKLGI-UHFFFAOYSA-N 1 2 413.482 -0.102 20 0 HBADLO Cn1nccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000448478502 1069059641 /nfs/dbraw/zinc/05/96/41/1069059641.db2.gz ONPLAYVWNVBRJX-UHFFFAOYSA-N 1 2 421.483 -0.978 20 0 HBADLO O=C(NC[C@H](CO)Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448478586 1069589705 /nfs/dbraw/zinc/58/97/05/1069589705.db2.gz ODQLQFREWDRAPS-GOSISDBHSA-N 1 2 415.494 0.121 20 0 HBADLO O=C(NC[C@@H](CO)Cc1ccccc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448478587 1069588607 /nfs/dbraw/zinc/58/86/07/1069588607.db2.gz ODQLQFREWDRAPS-SFHVURJKSA-N 1 2 415.494 0.121 20 0 HBADLO O=C(NCCOc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448479160 1069059717 /nfs/dbraw/zinc/05/97/17/1069059717.db2.gz SDRFRISSLZAXCK-UHFFFAOYSA-N 1 2 405.430 0.488 20 0 HBADLO COC(=O)c1cc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)oc1C ZINC000448479604 1069059756 /nfs/dbraw/zinc/05/97/56/1069059756.db2.gz VFJZGYXHGRKRMS-UHFFFAOYSA-N 1 2 419.438 0.158 20 0 HBADLO CN(C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC000448480175 1069059706 /nfs/dbraw/zinc/05/97/06/1069059706.db2.gz YSFKYJTZBWWYFO-UHFFFAOYSA-N 1 2 401.471 -0.069 20 0 HBADLO O=C(NCCOc1cccc(F)c1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448480735 1069587385 /nfs/dbraw/zinc/58/73/85/1069587385.db2.gz CVYBYIKLIJXLBU-UHFFFAOYSA-N 1 2 405.430 0.488 20 0 HBADLO O=C(NCCOc1ccccc1F)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448481738 1069587293 /nfs/dbraw/zinc/58/72/93/1069587293.db2.gz PVDCLFCRXJIRQC-UHFFFAOYSA-N 1 2 405.430 0.488 20 0 HBADLO COc1ccc(OCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000448482166 1069057020 /nfs/dbraw/zinc/05/70/20/1069057020.db2.gz UFGGTJBHPAFIKZ-UHFFFAOYSA-N 1 2 417.466 0.358 20 0 HBADLO CCOC(=O)C1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448483199 1069057077 /nfs/dbraw/zinc/05/70/77/1069057077.db2.gz HZJAGUOEPVAGTG-UHFFFAOYSA-N 1 2 407.471 -0.045 20 0 HBADLO CCOC(=O)C1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000448484686 1069622152 /nfs/dbraw/zinc/62/21/52/1069622152.db2.gz UOAYTTHZOWSIOI-UHFFFAOYSA-N 1 2 407.471 -0.045 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N(CCO)Cc1ccccc1 ZINC000448484710 1069607438 /nfs/dbraw/zinc/60/74/38/1069607438.db2.gz FSKLVJNNUYOFGL-UHFFFAOYSA-N 1 2 401.467 0.175 20 0 HBADLO O=C(NCCc1cn2ccccc2n1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448484971 1069056983 /nfs/dbraw/zinc/05/69/83/1069056983.db2.gz HGLFDSQOXPEPLK-UHFFFAOYSA-N 1 2 411.466 0.160 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000448487840 1069057008 /nfs/dbraw/zinc/05/70/08/1069057008.db2.gz MAGBXCHOJFUXPZ-UHFFFAOYSA-N 1 2 416.482 0.091 20 0 HBADLO CCOc1ncccc1CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448487977 1069635755 /nfs/dbraw/zinc/63/57/55/1069635755.db2.gz NSKPSTGNEIMECH-UHFFFAOYSA-N 1 2 402.455 0.264 20 0 HBADLO COc1cccc(CCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000448488077 1069057639 /nfs/dbraw/zinc/05/76/39/1069057639.db2.gz OPNZZJZCUVVIOS-UHFFFAOYSA-N 1 2 401.467 0.521 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000448488911 1069057775 /nfs/dbraw/zinc/05/77/75/1069057775.db2.gz FDXRQOFMXOIWQB-UHFFFAOYSA-N 1 2 414.470 -0.707 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000448494207 1069058600 /nfs/dbraw/zinc/05/86/00/1069058600.db2.gz DIVNMGKZEXZXSV-UHFFFAOYSA-N 1 2 418.420 -0.140 20 0 HBADLO CC(C)(C)C(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000448494286 1069058658 /nfs/dbraw/zinc/05/86/58/1069058658.db2.gz BZGGCWQLJOQSDU-UHFFFAOYSA-N 1 2 420.514 -0.129 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000448496144 1069061379 /nfs/dbraw/zinc/06/13/79/1069061379.db2.gz OZJTXCDOWQCCHH-UHFFFAOYSA-N 1 2 418.420 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CCN1CC[NH+]([C@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000448520778 1069063396 /nfs/dbraw/zinc/06/33/96/1069063396.db2.gz LNAKQESSFYCPGG-INIZCTEOSA-N 1 2 410.544 -0.219 20 0 HBADLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)C2)CC1 ZINC000448520779 1069063468 /nfs/dbraw/zinc/06/34/68/1069063468.db2.gz LNAKQESSFYCPGG-MRXNPFEDSA-N 1 2 410.544 -0.219 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000448527165 1069065316 /nfs/dbraw/zinc/06/53/16/1069065316.db2.gz ACKOPXKCCZZQDK-KRWDZBQOSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCOCC1 ZINC000448527165 1069065311 /nfs/dbraw/zinc/06/53/11/1069065311.db2.gz ACKOPXKCCZZQDK-KRWDZBQOSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCOCC1 ZINC000448527168 1069065355 /nfs/dbraw/zinc/06/53/55/1069065355.db2.gz ACKOPXKCCZZQDK-QGZVFWFLSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)[NH+]1CCOCC1 ZINC000448527168 1069065351 /nfs/dbraw/zinc/06/53/51/1069065351.db2.gz ACKOPXKCCZZQDK-QGZVFWFLSA-N 1 2 422.530 -0.373 20 0 HBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000448527833 1069065223 /nfs/dbraw/zinc/06/52/23/1069065223.db2.gz FBVHQXJYPJQHHQ-KRWDZBQOSA-N 1 2 414.466 -0.415 20 0 HBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000448527833 1069065216 /nfs/dbraw/zinc/06/52/16/1069065216.db2.gz FBVHQXJYPJQHHQ-KRWDZBQOSA-N 1 2 414.466 -0.415 20 0 HBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000448527834 1069065284 /nfs/dbraw/zinc/06/52/84/1069065284.db2.gz FBVHQXJYPJQHHQ-QGZVFWFLSA-N 1 2 414.466 -0.415 20 0 HBADLO CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000448527834 1069065279 /nfs/dbraw/zinc/06/52/79/1069065279.db2.gz FBVHQXJYPJQHHQ-QGZVFWFLSA-N 1 2 414.466 -0.415 20 0 HBADLO O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000448527941 1069590864 /nfs/dbraw/zinc/59/08/64/1069590864.db2.gz LKQHZZGBPYYKSY-UHFFFAOYSA-N 1 2 401.423 0.199 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000448528700 1069065396 /nfs/dbraw/zinc/06/53/96/1069065396.db2.gz JSALVHFNQQUXRZ-GOSISDBHSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[NH+]1CCOCC1 ZINC000448528700 1069065395 /nfs/dbraw/zinc/06/53/95/1069065395.db2.gz JSALVHFNQQUXRZ-GOSISDBHSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000448528701 1069065330 /nfs/dbraw/zinc/06/53/30/1069065330.db2.gz JSALVHFNQQUXRZ-SFHVURJKSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)[NH+]1CCOCC1 ZINC000448528701 1069065324 /nfs/dbraw/zinc/06/53/24/1069065324.db2.gz JSALVHFNQQUXRZ-SFHVURJKSA-N 1 2 422.530 -0.373 20 0 HBADLO CC(C)(CNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000448530807 1069065365 /nfs/dbraw/zinc/06/53/65/1069065365.db2.gz 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Cc1cc(C)n(CCCNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000448535076 1069572005 /nfs/dbraw/zinc/57/20/05/1069572005.db2.gz PFLSKHZKIMLHHF-UHFFFAOYSA-N 1 2 403.487 0.174 20 0 HBADLO COc1ccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1OC ZINC000448535079 1069066181 /nfs/dbraw/zinc/06/61/81/1069066181.db2.gz PGFONGFMZUTUHG-UHFFFAOYSA-N 1 2 417.466 0.487 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H](CO)C1CC1 ZINC000460128000 1069350803 /nfs/dbraw/zinc/35/08/03/1069350803.db2.gz ODWSGFBSWZLGRO-INIZCTEOSA-N 1 2 411.528 -0.149 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H](CO)C1CC1 ZINC000460128001 1069350582 /nfs/dbraw/zinc/35/05/82/1069350582.db2.gz ODWSGFBSWZLGRO-MRXNPFEDSA-N 1 2 411.528 -0.149 20 0 HBADLO CN(C)S(=O)(=O)CCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000460147929 1069351703 /nfs/dbraw/zinc/35/17/03/1069351703.db2.gz FKXDDVVIOIZXEW-UHFFFAOYSA-N 1 2 412.516 -0.689 20 0 HBADLO C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000460148233 1070474224 /nfs/dbraw/zinc/47/42/24/1070474224.db2.gz FLERXDQCVSLSDF-LSDHHAIUSA-N 1 2 409.512 -0.147 20 0 HBADLO O=C(NCCCn1cc(CO)nn1)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000460148767 1069352078 /nfs/dbraw/zinc/35/20/78/1069352078.db2.gz HDGYCTKQSKPBDA-UHFFFAOYSA-N 1 2 416.486 -0.406 20 0 HBADLO NS(=O)(=O)C1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000460150349 1069352349 /nfs/dbraw/zinc/35/23/49/1069352349.db2.gz MIEQHZNHUPLATC-UHFFFAOYSA-N 1 2 424.527 -0.417 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCSCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460264083 1069360624 /nfs/dbraw/zinc/36/06/24/1069360624.db2.gz OOZHDRMAURPBNE-HNNXBMFYSA-N 1 2 406.574 -0.129 20 0 HBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460275484 1069358673 /nfs/dbraw/zinc/35/86/73/1069358673.db2.gz LSSACHHTOMNBMP-DLBZAZTESA-N 1 2 418.560 -0.019 20 0 HBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000460275487 1069358600 /nfs/dbraw/zinc/35/86/00/1069358600.db2.gz 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ZINC000462333920 1071275403 /nfs/dbraw/zinc/27/54/03/1071275403.db2.gz PIFVDJKUQCVAGL-OAHLLOKOSA-N 1 2 421.523 -0.427 20 0 HBADLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)C[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350117 1071279039 /nfs/dbraw/zinc/27/90/39/1071279039.db2.gz QYUUKSBCUVERGY-KBPBESRZSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350117 1071279031 /nfs/dbraw/zinc/27/90/31/1071279031.db2.gz QYUUKSBCUVERGY-KBPBESRZSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350118 1071279312 /nfs/dbraw/zinc/27/93/12/1071279312.db2.gz QYUUKSBCUVERGY-KGLIPLIRSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350118 1071279308 /nfs/dbraw/zinc/27/93/08/1071279308.db2.gz QYUUKSBCUVERGY-KGLIPLIRSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@H+]1C[C@H](O)C[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350119 1071279176 /nfs/dbraw/zinc/27/91/76/1071279176.db2.gz QYUUKSBCUVERGY-UONOGXRCSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350119 1071279165 /nfs/dbraw/zinc/27/91/65/1071279165.db2.gz QYUUKSBCUVERGY-UONOGXRCSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350120 1071279261 /nfs/dbraw/zinc/27/92/61/1071279261.db2.gz QYUUKSBCUVERGY-ZIAGYGMSSA-N 1 2 411.503 -0.396 20 0 HBADLO CC(C)CN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000462350120 1071279255 /nfs/dbraw/zinc/27/92/55/1071279255.db2.gz QYUUKSBCUVERGY-ZIAGYGMSSA-N 1 2 411.503 -0.396 20 0 HBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462410212 1071286069 /nfs/dbraw/zinc/28/60/69/1071286069.db2.gz NWFRKJPGENPWRA-AWEZNQCLSA-N 1 2 403.526 -0.063 20 0 HBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000462410222 1071286276 /nfs/dbraw/zinc/28/62/76/1071286276.db2.gz NWFRKJPGENPWRA-CQSZACIVSA-N 1 2 403.526 -0.063 20 0 HBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000462411601 1071286292 /nfs/dbraw/zinc/28/62/92/1071286292.db2.gz RBLXDDORPPBCLU-AWEZNQCLSA-N 1 2 403.526 -0.063 20 0 HBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000462411603 1071286112 /nfs/dbraw/zinc/28/61/12/1071286112.db2.gz RBLXDDORPPBCLU-CQSZACIVSA-N 1 2 403.526 -0.063 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)cnc21 ZINC000462416517 1071286971 /nfs/dbraw/zinc/28/69/71/1071286971.db2.gz SRBRKTFOGPLRJE-GFCCVEGCSA-N 1 2 409.468 -0.623 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)cnc21 ZINC000462416518 1071286744 /nfs/dbraw/zinc/28/67/44/1071286744.db2.gz SRBRKTFOGPLRJE-LBPRGKRZSA-N 1 2 409.468 -0.623 20 0 HBADLO O=S(=O)(Cc1ccon1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000462424221 1071289071 /nfs/dbraw/zinc/28/90/71/1071289071.db2.gz ALUNWPOPWMOSGE-UHFFFAOYSA-N 1 2 415.497 -0.359 20 0 HBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC000462426440 1071289137 /nfs/dbraw/zinc/28/91/37/1071289137.db2.gz HXPNDPJPNHTVKH-UHFFFAOYSA-N 1 2 401.489 -0.675 20 0 HBADLO Cc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000462438247 1071289675 /nfs/dbraw/zinc/28/96/75/1071289675.db2.gz RNNQOUODAQGYHH-UHFFFAOYSA-N 1 2 420.532 -0.067 20 0 HBADLO CC(C)n1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000462438764 1071289745 /nfs/dbraw/zinc/28/97/45/1071289745.db2.gz DZNBNHKRXAEUKM-UHFFFAOYSA-N 1 2 420.561 -0.738 20 0 HBADLO Cc1ccsc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000462443276 1071291220 /nfs/dbraw/zinc/29/12/20/1071291220.db2.gz XBPIUTLNCVDZQX-UHFFFAOYSA-N 1 2 408.571 -0.145 20 0 HBADLO COC(=O)Cn1cc(S(=O)(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000462460146 1071294035 /nfs/dbraw/zinc/29/40/35/1071294035.db2.gz QKXPLSMGZJEGHH-UHFFFAOYSA-N 1 2 423.499 -0.663 20 0 HBADLO COC(=O)Cn1cc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1 ZINC000462463061 1071292642 /nfs/dbraw/zinc/29/26/42/1071292642.db2.gz GIKDCGMBPFFVSO-UHFFFAOYSA-N 1 2 420.455 -0.756 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c[nH]1 ZINC000462463950 1071292612 /nfs/dbraw/zinc/29/26/12/1071292612.db2.gz JAFXGDZRJQKNSL-UHFFFAOYSA-N 1 2 405.440 -0.011 20 0 HBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000462490131 1071295609 /nfs/dbraw/zinc/29/56/09/1071295609.db2.gz OYFDLOGJKLEYEZ-AWEZNQCLSA-N 1 2 404.558 -0.244 20 0 HBADLO CNS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000462490132 1071296360 /nfs/dbraw/zinc/29/63/60/1071296360.db2.gz OYFDLOGJKLEYEZ-CQSZACIVSA-N 1 2 404.558 -0.244 20 0 HBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CCO1 ZINC000462554209 1071301963 /nfs/dbraw/zinc/30/19/63/1071301963.db2.gz QQTREHWQWMKOAE-RDJZCZTQSA-N 1 2 424.523 -0.516 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CCO1 ZINC000462554209 1071301941 /nfs/dbraw/zinc/30/19/41/1071301941.db2.gz QQTREHWQWMKOAE-RDJZCZTQSA-N 1 2 424.523 -0.516 20 0 HBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CCO1 ZINC000462554213 1071301793 /nfs/dbraw/zinc/30/17/93/1071301793.db2.gz QQTREHWQWMKOAE-WBVHZDCISA-N 1 2 424.523 -0.516 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CCO1 ZINC000462554213 1071301776 /nfs/dbraw/zinc/30/17/76/1071301776.db2.gz QQTREHWQWMKOAE-WBVHZDCISA-N 1 2 424.523 -0.516 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cnn(CC(=O)OC)c2)[nH+]cn1 ZINC000462578889 1071302552 /nfs/dbraw/zinc/30/25/52/1071302552.db2.gz PBFFNUHTOQKHNS-GFCCVEGCSA-N 1 2 409.472 -0.165 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)c2cnn(CC(=O)OC)c2)nc[nH+]1 ZINC000462578889 1071302536 /nfs/dbraw/zinc/30/25/36/1071302536.db2.gz PBFFNUHTOQKHNS-GFCCVEGCSA-N 1 2 409.472 -0.165 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cnn(CC(=O)OC)c2)[nH+]cn1 ZINC000462578891 1071302731 /nfs/dbraw/zinc/30/27/31/1071302731.db2.gz PBFFNUHTOQKHNS-LBPRGKRZSA-N 1 2 409.472 -0.165 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)c2cnn(CC(=O)OC)c2)nc[nH+]1 ZINC000462578891 1071302720 /nfs/dbraw/zinc/30/27/20/1071302720.db2.gz PBFFNUHTOQKHNS-LBPRGKRZSA-N 1 2 409.472 -0.165 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)N(CCOC)CCOC)[nH+]cn1 ZINC000462580985 1071302499 /nfs/dbraw/zinc/30/24/99/1071302499.db2.gz TZBMMHIUONDACI-AWEZNQCLSA-N 1 2 402.521 -0.084 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNS(=O)(=O)N(CCOC)CCOC)nc[nH+]1 ZINC000462580985 1071302486 /nfs/dbraw/zinc/30/24/86/1071302486.db2.gz TZBMMHIUONDACI-AWEZNQCLSA-N 1 2 402.521 -0.084 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)N(CCOC)CCOC)[nH+]cn1 ZINC000462580987 1071302644 /nfs/dbraw/zinc/30/26/44/1071302644.db2.gz TZBMMHIUONDACI-CQSZACIVSA-N 1 2 402.521 -0.084 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNS(=O)(=O)N(CCOC)CCOC)nc[nH+]1 ZINC000462580987 1071302631 /nfs/dbraw/zinc/30/26/31/1071302631.db2.gz TZBMMHIUONDACI-CQSZACIVSA-N 1 2 402.521 -0.084 20 0 HBADLO Cn1nccc1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000462658365 1071305836 /nfs/dbraw/zinc/30/58/36/1071305836.db2.gz ODAHVNGVMQEQKF-AWEZNQCLSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1nccc1S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000462658365 1071305827 /nfs/dbraw/zinc/30/58/27/1071305827.db2.gz ODAHVNGVMQEQKF-AWEZNQCLSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1nccc1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000462658367 1071305902 /nfs/dbraw/zinc/30/59/02/1071305902.db2.gz ODAHVNGVMQEQKF-CQSZACIVSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1nccc1S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000462658367 1071305891 /nfs/dbraw/zinc/30/58/91/1071305891.db2.gz ODAHVNGVMQEQKF-CQSZACIVSA-N 1 2 407.500 -0.006 20 0 HBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)OC ZINC000462702619 1071310173 /nfs/dbraw/zinc/31/01/73/1071310173.db2.gz MLEPZUPDAMROMS-AWEZNQCLSA-N 1 2 413.562 -0.443 20 0 HBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)CCC(=O)OC ZINC000462702620 1071309963 /nfs/dbraw/zinc/30/99/63/1071309963.db2.gz MLEPZUPDAMROMS-CQSZACIVSA-N 1 2 413.562 -0.443 20 0 HBADLO Cn1nccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000462706342 1071310943 /nfs/dbraw/zinc/31/09/43/1071310943.db2.gz WVBXISQCHMBJTG-UHFFFAOYSA-N 1 2 414.513 -0.755 20 0 HBADLO CN(C)S(=O)(=O)CCNC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000462734476 1071312095 /nfs/dbraw/zinc/31/20/95/1071312095.db2.gz BYIAHUKVZSISOT-INIZCTEOSA-N 1 2 414.528 -0.355 20 0 HBADLO CN(C)S(=O)(=O)CCNC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000462734477 1071312201 /nfs/dbraw/zinc/31/22/01/1071312201.db2.gz BYIAHUKVZSISOT-MRXNPFEDSA-N 1 2 414.528 -0.355 20 0 HBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)C1 ZINC000462825942 1071317793 /nfs/dbraw/zinc/31/77/93/1071317793.db2.gz AWBOGAZSOIDHJP-AWEZNQCLSA-N 1 2 405.503 -0.396 20 0 HBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3C)CC2)C1 ZINC000462825943 1071317993 /nfs/dbraw/zinc/31/79/93/1071317993.db2.gz AWBOGAZSOIDHJP-CQSZACIVSA-N 1 2 405.503 -0.396 20 0 HBADLO COC(=O)c1cc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n(C)c1C ZINC000462955068 1071327647 /nfs/dbraw/zinc/32/76/47/1071327647.db2.gz HJPJQPJRAPHJKO-UHFFFAOYSA-N 1 2 413.544 -0.270 20 0 HBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462963708 1071328320 /nfs/dbraw/zinc/32/83/20/1071328320.db2.gz FXPWHQFKLLTXFE-GFCCVEGCSA-N 1 2 417.491 -0.236 20 0 HBADLO C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462963708 1071328303 /nfs/dbraw/zinc/32/83/03/1071328303.db2.gz FXPWHQFKLLTXFE-GFCCVEGCSA-N 1 2 417.491 -0.236 20 0 HBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462963711 1071328394 /nfs/dbraw/zinc/32/83/94/1071328394.db2.gz FXPWHQFKLLTXFE-LBPRGKRZSA-N 1 2 417.491 -0.236 20 0 HBADLO C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000462963711 1071328377 /nfs/dbraw/zinc/32/83/77/1071328377.db2.gz FXPWHQFKLLTXFE-LBPRGKRZSA-N 1 2 417.491 -0.236 20 0 HBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)CC2 ZINC000462965987 1071328092 /nfs/dbraw/zinc/32/80/92/1071328092.db2.gz KSYOEXJOPKHFCA-UHFFFAOYSA-N 1 2 404.515 -0.803 20 0 HBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)CC2 ZINC000462965987 1071328079 /nfs/dbraw/zinc/32/80/79/1071328079.db2.gz KSYOEXJOPKHFCA-UHFFFAOYSA-N 1 2 404.515 -0.803 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000462968629 1071329001 /nfs/dbraw/zinc/32/90/01/1071329001.db2.gz SOMNNFNWDPBUMN-UHFFFAOYSA-N 1 2 423.481 -0.836 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCc3nn(C)c(=O)cc3C2)CC1 ZINC000462968629 1071328981 /nfs/dbraw/zinc/32/89/81/1071328981.db2.gz SOMNNFNWDPBUMN-UHFFFAOYSA-N 1 2 423.481 -0.836 20 0 HBADLO Cn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCc3cc(S(N)(=O)=O)ccc31)CC2 ZINC000462971945 1071329144 /nfs/dbraw/zinc/32/91/44/1071329144.db2.gz WRNHDYCHNPDDHP-UHFFFAOYSA-N 1 2 403.464 -0.625 20 0 HBADLO Cn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCc3cc(S(N)(=O)=O)ccc31)CC2 ZINC000462971945 1071329131 /nfs/dbraw/zinc/32/91/31/1071329131.db2.gz WRNHDYCHNPDDHP-UHFFFAOYSA-N 1 2 403.464 -0.625 20 0 HBADLO O=C(CNC(=O)Cc1ccc(O)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462997404 1071330337 /nfs/dbraw/zinc/33/03/37/1071330337.db2.gz ZAEDJVKFJTXHHW-INIZCTEOSA-N 1 2 404.467 -0.900 20 0 HBADLO O=C(CNC(=O)Cc1ccc(O)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000462997411 1071330110 /nfs/dbraw/zinc/33/01/10/1071330110.db2.gz ZAEDJVKFJTXHHW-MRXNPFEDSA-N 1 2 404.467 -0.900 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000463190453 1071346467 /nfs/dbraw/zinc/34/64/67/1071346467.db2.gz DVABOHULESQUAH-UHFFFAOYSA-N 1 2 415.585 -0.090 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 ZINC000463191256 1071346542 /nfs/dbraw/zinc/34/65/42/1071346542.db2.gz HMOMJFBWLFODCK-UHFFFAOYSA-N 1 2 415.491 -0.448 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000463195826 1071348033 /nfs/dbraw/zinc/34/80/33/1071348033.db2.gz GLKSZYAJDDGKRU-UHFFFAOYSA-N 1 2 413.519 -0.008 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000463196106 1071347861 /nfs/dbraw/zinc/34/78/61/1071347861.db2.gz IOYNNKYANZWFBM-UHFFFAOYSA-N 1 2 414.528 -0.119 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(OCCOC)cc2)CC1 ZINC000463196623 1071348004 /nfs/dbraw/zinc/34/80/04/1071348004.db2.gz DYXSSOOXVVPUJD-UHFFFAOYSA-N 1 2 414.528 -0.154 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000463197852 1071348581 /nfs/dbraw/zinc/34/85/81/1071348581.db2.gz SUZYOFQATZEWHN-UHFFFAOYSA-N 1 2 423.539 -0.287 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000463198116 1071347922 /nfs/dbraw/zinc/34/79/22/1071347922.db2.gz UEGZRYZIWVQNBM-UHFFFAOYSA-N 1 2 415.585 -0.090 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000463198126 1071348720 /nfs/dbraw/zinc/34/87/20/1071348720.db2.gz UGRYJLHLZXWLOS-UHFFFAOYSA-N 1 2 400.501 -0.162 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000463203355 1071352748 /nfs/dbraw/zinc/35/27/48/1071352748.db2.gz NSIYXTHOXXJQIZ-UHFFFAOYSA-N 1 2 414.484 -0.572 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000463206627 1071349580 /nfs/dbraw/zinc/34/95/80/1071349580.db2.gz XXVTUNSCHRQVHL-UHFFFAOYSA-N 1 2 413.500 -0.918 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000463206848 1071349659 /nfs/dbraw/zinc/34/96/59/1071349659.db2.gz ZKSVVTDJYVDQQR-UHFFFAOYSA-N 1 2 413.519 -0.008 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)NCc2cccc(OCCOC)c2)CC1 ZINC000463207929 1071349829 /nfs/dbraw/zinc/34/98/29/1071349829.db2.gz DADZTESNYRTHKB-UHFFFAOYSA-N 1 2 414.528 -0.154 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1C[C@H](O)C[C@@H]1CO ZINC000463210796 1071350902 /nfs/dbraw/zinc/35/09/02/1071350902.db2.gz HASUBPGNVADTBK-BZUAXINKSA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1C[C@H](O)C[C@@H]1CO ZINC000463210796 1071350898 /nfs/dbraw/zinc/35/08/98/1071350898.db2.gz HASUBPGNVADTBK-BZUAXINKSA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1C[C@@H](O)C[C@@H]1CO ZINC000463210797 1071351007 /nfs/dbraw/zinc/35/10/07/1071351007.db2.gz HASUBPGNVADTBK-OAGGEKHMSA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1C[C@@H](O)C[C@@H]1CO ZINC000463210797 1071351001 /nfs/dbraw/zinc/35/10/01/1071351001.db2.gz HASUBPGNVADTBK-OAGGEKHMSA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1C[C@H](O)C[C@H]1CO ZINC000463210798 1071350776 /nfs/dbraw/zinc/35/07/76/1071350776.db2.gz HASUBPGNVADTBK-OWCLPIDISA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1C[C@H](O)C[C@H]1CO ZINC000463210798 1071350771 /nfs/dbraw/zinc/35/07/71/1071350771.db2.gz HASUBPGNVADTBK-OWCLPIDISA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1C[C@@H](O)C[C@H]1CO ZINC000463210800 1071350838 /nfs/dbraw/zinc/35/08/38/1071350838.db2.gz HASUBPGNVADTBK-PMPSAXMXSA-N 1 2 406.487 -0.581 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1C[C@@H](O)C[C@H]1CO ZINC000463210800 1071350834 /nfs/dbraw/zinc/35/08/34/1071350834.db2.gz HASUBPGNVADTBK-PMPSAXMXSA-N 1 2 406.487 -0.581 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000463213623 1071350810 /nfs/dbraw/zinc/35/08/10/1071350810.db2.gz YBHMAUWSFHOGRP-DZGCQCFKSA-N 1 2 412.512 -0.151 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000463213624 1071350871 /nfs/dbraw/zinc/35/08/71/1071350871.db2.gz YBHMAUWSFHOGRP-HIFRSBDPSA-N 1 2 412.512 -0.151 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+]([C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000463213625 1071350984 /nfs/dbraw/zinc/35/09/84/1071350984.db2.gz YBHMAUWSFHOGRP-UKRRQHHQSA-N 1 2 412.512 -0.151 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000463213626 1071350934 /nfs/dbraw/zinc/35/09/34/1071350934.db2.gz YBHMAUWSFHOGRP-ZFWWWQNUSA-N 1 2 412.512 -0.151 20 0 HBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1 ZINC000463216763 1071354031 /nfs/dbraw/zinc/35/40/31/1071354031.db2.gz XJPIROMKGNORJI-UHFFFAOYSA-N 1 2 411.528 -0.090 20 0 HBADLO CC(C)OC(=O)CCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463258509 1071355516 /nfs/dbraw/zinc/35/55/16/1071355516.db2.gz NHUVQFVLVCVOIL-UHFFFAOYSA-N 1 2 419.548 -0.462 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000463292243 1071357356 /nfs/dbraw/zinc/35/73/56/1071357356.db2.gz ZQJMLGSXIOGIOC-INIZCTEOSA-N 1 2 411.478 -0.108 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000463292250 1071357928 /nfs/dbraw/zinc/35/79/28/1071357928.db2.gz ZQJMLGSXIOGIOC-MRXNPFEDSA-N 1 2 411.478 -0.108 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000463299566 1071358798 /nfs/dbraw/zinc/35/87/98/1071358798.db2.gz ATDLBPJYYCCRKO-QLFBSQMISA-N 1 2 404.533 -0.570 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000463299632 1071358617 /nfs/dbraw/zinc/35/86/17/1071358617.db2.gz ATDLBPJYYCCRKO-RBSFLKMASA-N 1 2 404.533 -0.570 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000463299633 1071358706 /nfs/dbraw/zinc/35/87/06/1071358706.db2.gz ATDLBPJYYCCRKO-RRFJBIMHSA-N 1 2 404.533 -0.570 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000463299634 1071358846 /nfs/dbraw/zinc/35/88/46/1071358846.db2.gz ATDLBPJYYCCRKO-SOUVJXGZSA-N 1 2 404.533 -0.570 20 0 HBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000463318966 1071361691 /nfs/dbraw/zinc/36/16/91/1071361691.db2.gz ZGRVTNATLSJMNV-AWEZNQCLSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000463318966 1071361674 /nfs/dbraw/zinc/36/16/74/1071361674.db2.gz ZGRVTNATLSJMNV-AWEZNQCLSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000463318967 1071361527 /nfs/dbraw/zinc/36/15/27/1071361527.db2.gz ZGRVTNATLSJMNV-CQSZACIVSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000463318967 1071361518 /nfs/dbraw/zinc/36/15/18/1071361518.db2.gz ZGRVTNATLSJMNV-CQSZACIVSA-N 1 2 404.533 -0.568 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCS(=O)(=O)NCc1ccccc1 ZINC000463340236 1071363961 /nfs/dbraw/zinc/36/39/61/1071363961.db2.gz OPTAPLUTYQFDIG-UHFFFAOYSA-N 1 2 405.542 -0.252 20 0 HBADLO Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1 ZINC000463350372 1071364926 /nfs/dbraw/zinc/36/49/26/1071364926.db2.gz GZWJJFUIVNCPHD-UHFFFAOYSA-N 1 2 405.542 -0.085 20 0 HBADLO O=C(c1ccc(CNS(=O)(=O)CCC[NH+]2CCOCC2)cc1)N1CCNC(=O)C1 ZINC000463350754 1071365098 /nfs/dbraw/zinc/36/50/98/1071365098.db2.gz IMBLGZWNDINXSI-UHFFFAOYSA-N 1 2 424.523 -0.600 20 0 HBADLO C[C@]1(c2ccc(CNS(=O)(=O)CCC[NH+]3CCOCC3)cc2)NC(=O)NC1=O ZINC000463350755 1071364968 /nfs/dbraw/zinc/36/49/68/1071364968.db2.gz IMEODQQPPNHMMG-GOSISDBHSA-N 1 2 410.496 -0.117 20 0 HBADLO C[C@@]1(c2ccc(CNS(=O)(=O)CCC[NH+]3CCOCC3)cc2)NC(=O)NC1=O ZINC000463350756 1071364879 /nfs/dbraw/zinc/36/48/79/1071364879.db2.gz IMEODQQPPNHMMG-SFHVURJKSA-N 1 2 410.496 -0.117 20 0 HBADLO CCN(CC1CC1)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000463354384 1071365713 /nfs/dbraw/zinc/36/57/13/1071365713.db2.gz ZKMDSBKJJMZHLP-UHFFFAOYSA-N 1 2 409.578 -0.927 20 0 HBADLO O=C(CNS(=O)(=O)CCC[NH+]1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000463355947 1071366253 /nfs/dbraw/zinc/36/62/53/1071366253.db2.gz XHBWXAKNKVKHJK-UHFFFAOYSA-N 1 2 410.540 -0.023 20 0 HBADLO COCC[C@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000463358738 1071366152 /nfs/dbraw/zinc/36/61/52/1071366152.db2.gz DHHNLPSCXCBRKK-HNNXBMFYSA-N 1 2 403.487 -0.251 20 0 HBADLO COCC[C@@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000463358739 1071366281 /nfs/dbraw/zinc/36/62/81/1071366281.db2.gz DHHNLPSCXCBRKK-OAHLLOKOSA-N 1 2 403.487 -0.251 20 0 HBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000463363876 1071366678 /nfs/dbraw/zinc/36/66/78/1071366678.db2.gz AVGCJQVNCGRCQX-AWEZNQCLSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000463363876 1071366671 /nfs/dbraw/zinc/36/66/71/1071366671.db2.gz AVGCJQVNCGRCQX-AWEZNQCLSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000463363877 1071367255 /nfs/dbraw/zinc/36/72/55/1071367255.db2.gz AVGCJQVNCGRCQX-CQSZACIVSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000463363877 1071367245 /nfs/dbraw/zinc/36/72/45/1071367245.db2.gz AVGCJQVNCGRCQX-CQSZACIVSA-N 1 2 404.533 -0.568 20 0 HBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000463389077 1071369603 /nfs/dbraw/zinc/36/96/03/1071369603.db2.gz IBFWINJVRVXPCR-CABCVRRESA-N 1 2 409.512 -0.005 20 0 HBADLO CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000463389078 1071369799 /nfs/dbraw/zinc/36/97/99/1071369799.db2.gz IBFWINJVRVXPCR-GJZGRUSLSA-N 1 2 409.512 -0.005 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000463389079 1071369669 /nfs/dbraw/zinc/36/96/69/1071369669.db2.gz IBFWINJVRVXPCR-HUUCEWRRSA-N 1 2 409.512 -0.005 20 0 HBADLO CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000463389080 1071369548 /nfs/dbraw/zinc/36/95/48/1071369548.db2.gz IBFWINJVRVXPCR-LSDHHAIUSA-N 1 2 409.512 -0.005 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000463411616 1071371061 /nfs/dbraw/zinc/37/10/61/1071371061.db2.gz FCIXBRRSISBXIJ-AWEZNQCLSA-N 1 2 402.469 -0.203 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000463411617 1071370777 /nfs/dbraw/zinc/37/07/77/1071370777.db2.gz FCIXBRRSISBXIJ-CQSZACIVSA-N 1 2 402.469 -0.203 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000463425910 1071372589 /nfs/dbraw/zinc/37/25/89/1071372589.db2.gz WZWWPRQEHHUMIK-HNNXBMFYSA-N 1 2 413.562 -0.883 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000463425911 1069243222 /nfs/dbraw/zinc/24/32/22/1069243222.db2.gz WZWWPRQEHHUMIK-OAHLLOKOSA-N 1 2 413.562 -0.883 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCCS(=O)(=O)N1CCSCC1 ZINC000463426218 1071372805 /nfs/dbraw/zinc/37/28/05/1071372805.db2.gz NIQRMMSYDOZDDU-UHFFFAOYSA-N 1 2 401.576 -0.993 20 0 HBADLO CO[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(O)cc1 ZINC000463450306 1071376188 /nfs/dbraw/zinc/37/61/88/1071376188.db2.gz CEXCKKCHPMWWHN-KRWDZBQOSA-N 1 2 412.512 -0.284 20 0 HBADLO CO[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(O)cc1 ZINC000463450307 1071376040 /nfs/dbraw/zinc/37/60/40/1071376040.db2.gz CEXCKKCHPMWWHN-QGZVFWFLSA-N 1 2 412.512 -0.284 20 0 HBADLO CO[C@@](C)(CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000463506261 1071380098 /nfs/dbraw/zinc/38/00/98/1071380098.db2.gz IQAFKJWJEUHALB-KRWDZBQOSA-N 1 2 403.549 -0.379 20 0 HBADLO CO[C@](C)(CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000463506262 1071380046 /nfs/dbraw/zinc/38/00/46/1071380046.db2.gz IQAFKJWJEUHALB-QGZVFWFLSA-N 1 2 403.549 -0.379 20 0 HBADLO COCC[C@H](C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463672129 1071393796 /nfs/dbraw/zinc/39/37/96/1071393796.db2.gz HMTYLCUYWBZVBL-HNNXBMFYSA-N 1 2 420.557 -0.122 20 0 HBADLO COCC[C@@H](C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000463672130 1071393735 /nfs/dbraw/zinc/39/37/35/1071393735.db2.gz HMTYLCUYWBZVBL-OAHLLOKOSA-N 1 2 420.557 -0.122 20 0 HBADLO O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000463732369 1071400026 /nfs/dbraw/zinc/40/00/26/1071400026.db2.gz KLXKHYNSSPZBEH-INIZCTEOSA-N 1 2 413.478 -0.053 20 0 HBADLO O=C(CNC(=O)c1cc2ccccc2[nH]1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000463732370 1071400061 /nfs/dbraw/zinc/40/00/61/1071400061.db2.gz KLXKHYNSSPZBEH-MRXNPFEDSA-N 1 2 413.478 -0.053 20 0 HBADLO C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnc(-c2ccccc2)n1 ZINC000463735117 1071400770 /nfs/dbraw/zinc/40/07/70/1071400770.db2.gz RCRSWOIBZDNUSB-DOTOQJQBSA-N 1 2 413.482 -0.050 20 0 HBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnc(-c2ccccc2)n1 ZINC000463735118 1071400682 /nfs/dbraw/zinc/40/06/82/1071400682.db2.gz RCRSWOIBZDNUSB-NVXWUHKLSA-N 1 2 413.482 -0.050 20 0 HBADLO C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnc(-c2ccccc2)n1 ZINC000463735119 1071400865 /nfs/dbraw/zinc/40/08/65/1071400865.db2.gz RCRSWOIBZDNUSB-RDJZCZTQSA-N 1 2 413.482 -0.050 20 0 HBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)n1nnc(-c2ccccc2)n1 ZINC000463735120 1071400701 /nfs/dbraw/zinc/40/07/01/1071400701.db2.gz RCRSWOIBZDNUSB-WBVHZDCISA-N 1 2 413.482 -0.050 20 0 HBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)c2)nn1 ZINC000463793897 1071405997 /nfs/dbraw/zinc/40/59/97/1071405997.db2.gz CTMWQALSLIRWCT-UHFFFAOYSA-N 1 2 402.411 -0.871 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1CCO ZINC000463804967 1071411576 /nfs/dbraw/zinc/41/15/76/1071411576.db2.gz CVYDFCANRWKCAL-HNNXBMFYSA-N 1 2 403.483 -0.918 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1CCO ZINC000463804967 1071411574 /nfs/dbraw/zinc/41/15/74/1071411574.db2.gz CVYDFCANRWKCAL-HNNXBMFYSA-N 1 2 403.483 -0.918 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@H+]1CCO ZINC000463804968 1071411457 /nfs/dbraw/zinc/41/14/57/1071411457.db2.gz CVYDFCANRWKCAL-OAHLLOKOSA-N 1 2 403.483 -0.918 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC[N@@H+]1CCO ZINC000463804968 1071411452 /nfs/dbraw/zinc/41/14/52/1071411452.db2.gz CVYDFCANRWKCAL-OAHLLOKOSA-N 1 2 403.483 -0.918 20 0 HBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@H](C)C3)c2)nn1 ZINC000463806182 1071411432 /nfs/dbraw/zinc/41/14/32/1071411432.db2.gz HYSBZRNGUKLGRP-CYBMUJFWSA-N 1 2 416.438 -0.483 20 0 HBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@H](C)C3)c2)nn1 ZINC000463806182 1071411428 /nfs/dbraw/zinc/41/14/28/1071411428.db2.gz HYSBZRNGUKLGRP-CYBMUJFWSA-N 1 2 416.438 -0.483 20 0 HBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)c2)nn1 ZINC000463806183 1071411512 /nfs/dbraw/zinc/41/15/12/1071411512.db2.gz HYSBZRNGUKLGRP-ZDUSSCGKSA-N 1 2 416.438 -0.483 20 0 HBADLO COC(=O)c1cn(-c2cccc(NC(=O)C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)c2)nn1 ZINC000463806183 1071411507 /nfs/dbraw/zinc/41/15/07/1071411507.db2.gz HYSBZRNGUKLGRP-ZDUSSCGKSA-N 1 2 416.438 -0.483 20 0 HBADLO Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)CCC[NH+]2CCOCC2)s1 ZINC000463851242 1071418510 /nfs/dbraw/zinc/41/85/10/1071418510.db2.gz QYHYNXNWNQOEIC-UHFFFAOYSA-N 1 2 411.571 -0.023 20 0 HBADLO COc1ccc(CCNS(=O)(=O)CCC[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000463858087 1071422428 /nfs/dbraw/zinc/42/24/28/1071422428.db2.gz KCFGKNSVPUSGEI-UHFFFAOYSA-N 1 2 421.541 -0.473 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000463864939 1071419870 /nfs/dbraw/zinc/41/98/70/1071419870.db2.gz GJXDNGPYOXTNHV-INIZCTEOSA-N 1 2 423.543 -0.018 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000463864940 1071419977 /nfs/dbraw/zinc/41/99/77/1071419977.db2.gz GJXDNGPYOXTNHV-MRXNPFEDSA-N 1 2 423.543 -0.018 20 0 HBADLO COC(=O)C1CCC(NS(=O)(=O)CCC[NH+]2CCOCC2)(C(=O)OC)CC1 ZINC000463868112 1071420858 /nfs/dbraw/zinc/42/08/58/1071420858.db2.gz PPLXMKPWTKQNHH-UHFFFAOYSA-N 1 2 406.501 -0.097 20 0 HBADLO COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000464020252 1071436165 /nfs/dbraw/zinc/43/61/65/1071436165.db2.gz PSWIPKUOMZAOGO-INIZCTEOSA-N 1 2 419.482 -0.328 20 0 HBADLO COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000464020253 1071436075 /nfs/dbraw/zinc/43/60/75/1071436075.db2.gz PSWIPKUOMZAOGO-MRXNPFEDSA-N 1 2 419.482 -0.328 20 0 HBADLO Cn1c[nH+]cc1[C@H]1[C@H](C(=O)Nc2cn(C)c(=O)n(C)c2=O)CCC(=O)N1C1CC1 ZINC000464055728 1071438231 /nfs/dbraw/zinc/43/82/31/1071438231.db2.gz JHWFRJCOGOBUKK-MLGOLLRUSA-N 1 2 400.439 -0.102 20 0 HBADLO Cc1cc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000464115225 1071441229 /nfs/dbraw/zinc/44/12/29/1071441229.db2.gz PJUCWPFLYAVGBS-CVEARBPZSA-N 1 2 418.498 -0.869 20 0 HBADLO Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000464115226 1071441175 /nfs/dbraw/zinc/44/11/75/1071441175.db2.gz PJUCWPFLYAVGBS-HOTGVXAUSA-N 1 2 418.498 -0.869 20 0 HBADLO Cc1cc(N2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000464115227 1071441292 /nfs/dbraw/zinc/44/12/92/1071441292.db2.gz PJUCWPFLYAVGBS-HZPDHXFCSA-N 1 2 418.498 -0.869 20 0 HBADLO Cc1cc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000464115228 1071441207 /nfs/dbraw/zinc/44/12/07/1071441207.db2.gz PJUCWPFLYAVGBS-JKSUJKDBSA-N 1 2 418.498 -0.869 20 0 HBADLO Cn1nc2c(c1CNC(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CCCC2 ZINC000464118935 1071440487 /nfs/dbraw/zinc/44/04/87/1071440487.db2.gz HMNUHSBTZFJRAD-UHFFFAOYSA-N 1 2 415.498 0.083 20 0 HBADLO NC(=O)COc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000464155260 1071442797 /nfs/dbraw/zinc/44/27/97/1071442797.db2.gz CIYFPPATTSHJLG-INIZCTEOSA-N 1 2 404.467 -0.652 20 0 HBADLO NC(=O)COc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000464155264 1071442624 /nfs/dbraw/zinc/44/26/24/1071442624.db2.gz CIYFPPATTSHJLG-MRXNPFEDSA-N 1 2 404.467 -0.652 20 0 HBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCS(=O)(=O)CC1 ZINC000464213851 1071446256 /nfs/dbraw/zinc/44/62/56/1071446256.db2.gz NUJBZENAZOLRED-HNNXBMFYSA-N 1 2 424.527 -0.278 20 0 HBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCS(=O)(=O)CC1 ZINC000464213851 1071446255 /nfs/dbraw/zinc/44/62/55/1071446255.db2.gz NUJBZENAZOLRED-HNNXBMFYSA-N 1 2 424.527 -0.278 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCS(=O)(=O)CC1 ZINC000464213852 1071446213 /nfs/dbraw/zinc/44/62/13/1071446213.db2.gz NUJBZENAZOLRED-OAHLLOKOSA-N 1 2 424.527 -0.278 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCS(=O)(=O)CC1 ZINC000464213852 1071446210 /nfs/dbraw/zinc/44/62/10/1071446210.db2.gz NUJBZENAZOLRED-OAHLLOKOSA-N 1 2 424.527 -0.278 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464304306 1071452843 /nfs/dbraw/zinc/45/28/43/1071452843.db2.gz ISITYIKAHPAGHS-CYBMUJFWSA-N 1 2 424.479 -0.435 20 0 HBADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000464307578 1071452740 /nfs/dbraw/zinc/45/27/40/1071452740.db2.gz WLXADZMXSRHODF-HNNXBMFYSA-N 1 2 412.512 -0.028 20 0 HBADLO O=C(c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000464307580 1071452905 /nfs/dbraw/zinc/45/29/05/1071452905.db2.gz WLXADZMXSRHODF-OAHLLOKOSA-N 1 2 412.512 -0.028 20 0 HBADLO Cn1c2ncn(CCC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000464314389 1071453613 /nfs/dbraw/zinc/45/36/13/1071453613.db2.gz BPEXBOPGGRWBQJ-AWEZNQCLSA-N 1 2 404.471 -0.853 20 0 HBADLO Cn1c2ncn(CCC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000464314391 1071453798 /nfs/dbraw/zinc/45/37/98/1071453798.db2.gz BPEXBOPGGRWBQJ-CQSZACIVSA-N 1 2 404.471 -0.853 20 0 HBADLO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000464319739 1071454446 /nfs/dbraw/zinc/45/44/46/1071454446.db2.gz PXVAWEPSHDRNGJ-AWEZNQCLSA-N 1 2 401.467 -0.123 20 0 HBADLO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000464319740 1071454642 /nfs/dbraw/zinc/45/46/42/1071454642.db2.gz PXVAWEPSHDRNGJ-CQSZACIVSA-N 1 2 401.467 -0.123 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000464343963 1071454490 /nfs/dbraw/zinc/45/44/90/1071454490.db2.gz SGLXEHKPEULKLW-PBHICJAKSA-N 1 2 406.508 -0.072 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000464343964 1071454533 /nfs/dbraw/zinc/45/45/33/1071454533.db2.gz SGLXEHKPEULKLW-RHSMWYFYSA-N 1 2 406.508 -0.072 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@H]1c1cccs1 ZINC000464343965 1071454258 /nfs/dbraw/zinc/45/42/58/1071454258.db2.gz SGLXEHKPEULKLW-WMLDXEAASA-N 1 2 406.508 -0.072 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC000464343966 1071454353 /nfs/dbraw/zinc/45/43/53/1071454353.db2.gz SGLXEHKPEULKLW-YOEHRIQHSA-N 1 2 406.508 -0.072 20 0 HBADLO C[C@@H](O)C[C@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000464612571 1071474779 /nfs/dbraw/zinc/47/47/79/1071474779.db2.gz BGXXQGDKGORDNX-CABCVRRESA-N 1 2 403.487 -0.516 20 0 HBADLO C[C@H](O)C[C@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000464612572 1071474798 /nfs/dbraw/zinc/47/47/98/1071474798.db2.gz BGXXQGDKGORDNX-GJZGRUSLSA-N 1 2 403.487 -0.516 20 0 HBADLO C[C@@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000464612573 1071474736 /nfs/dbraw/zinc/47/47/36/1071474736.db2.gz BGXXQGDKGORDNX-HUUCEWRRSA-N 1 2 403.487 -0.516 20 0 HBADLO C[C@H](O)C[C@@H]1COCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000464612574 1071475600 /nfs/dbraw/zinc/47/56/00/1071475600.db2.gz BGXXQGDKGORDNX-LSDHHAIUSA-N 1 2 403.487 -0.516 20 0 HBADLO Cc1nsc(N2CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000464758451 1071485061 /nfs/dbraw/zinc/48/50/61/1071485061.db2.gz PTVFNBIWSAXOIO-UHFFFAOYSA-N 1 2 404.562 -0.244 20 0 HBADLO Cc1nsc(N2CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000464758451 1071485058 /nfs/dbraw/zinc/48/50/58/1071485058.db2.gz PTVFNBIWSAXOIO-UHFFFAOYSA-N 1 2 404.562 -0.244 20 0 HBADLO Cc1nsc(N2CCC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000464760611 1071484961 /nfs/dbraw/zinc/48/49/61/1071484961.db2.gz JAWALQFMFXSUIA-UHFFFAOYSA-N 1 2 409.560 -0.409 20 0 HBADLO Cc1nsc(N2CCC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000464760611 1071484948 /nfs/dbraw/zinc/48/49/48/1071484948.db2.gz JAWALQFMFXSUIA-UHFFFAOYSA-N 1 2 409.560 -0.409 20 0 HBADLO CCc1nsc(N2CC[NH+](CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)n1 ZINC000464781756 1071486548 /nfs/dbraw/zinc/48/65/48/1071486548.db2.gz ZCXHJZVQQCBBFG-UHFFFAOYSA-N 1 2 404.500 -0.330 20 0 HBADLO CCc1nsc(N2CCC[N@@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000464853113 1071494626 /nfs/dbraw/zinc/49/46/26/1071494626.db2.gz SVLYIXAFLBKDDI-UHFFFAOYSA-N 1 2 423.587 -0.155 20 0 HBADLO CCc1nsc(N2CCC[N@H+](CC(=O)N3CCN(CC(=O)N(C)C)CC3)CC2)n1 ZINC000464853113 1071494620 /nfs/dbraw/zinc/49/46/20/1071494620.db2.gz SVLYIXAFLBKDDI-UHFFFAOYSA-N 1 2 423.587 -0.155 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCS(=O)(=O)C(C)(C)C2)CC1 ZINC000464854612 1071491732 /nfs/dbraw/zinc/49/17/32/1071491732.db2.gz GIXKVPJNEJWSAO-UHFFFAOYSA-N 1 2 421.527 -0.479 20 0 HBADLO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1=O ZINC000464892684 1071500945 /nfs/dbraw/zinc/50/09/45/1071500945.db2.gz IQMQSMFHFSOLCO-UXLLHSPISA-N 1 2 409.508 -0.112 20 0 HBADLO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1=O ZINC000464892685 1071501140 /nfs/dbraw/zinc/50/11/40/1071501140.db2.gz IQMQSMFHFSOLCO-YQQAZPJKSA-N 1 2 409.508 -0.112 20 0 HBADLO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1=O ZINC000464892686 1071501054 /nfs/dbraw/zinc/50/10/54/1071501054.db2.gz IQMQSMFHFSOLCO-ZMSDIMECSA-N 1 2 409.508 -0.112 20 0 HBADLO COc1ccccc1N1CC[C@H]([NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1=O ZINC000464892687 1071500888 /nfs/dbraw/zinc/50/08/88/1071500888.db2.gz IQMQSMFHFSOLCO-ZOBUZTSGSA-N 1 2 409.508 -0.112 20 0 HBADLO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)n1 ZINC000464934640 1071502525 /nfs/dbraw/zinc/50/25/25/1071502525.db2.gz VYKIMSAPHIBFOO-MSOLQXFVSA-N 1 2 420.514 -0.697 20 0 HBADLO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)n1 ZINC000464934641 1071502431 /nfs/dbraw/zinc/50/24/31/1071502431.db2.gz VYKIMSAPHIBFOO-QZTJIDSGSA-N 1 2 420.514 -0.697 20 0 HBADLO Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)n1 ZINC000464934642 1071502296 /nfs/dbraw/zinc/50/22/96/1071502296.db2.gz VYKIMSAPHIBFOO-ROUUACIJSA-N 1 2 420.514 -0.697 20 0 HBADLO Cc1nc(C)n(C[C@H]2CN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CCO2)n1 ZINC000464934643 1071502449 /nfs/dbraw/zinc/50/24/49/1071502449.db2.gz VYKIMSAPHIBFOO-ZWKOTPCHSA-N 1 2 420.514 -0.697 20 0 HBADLO CCc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000464961989 1071503557 /nfs/dbraw/zinc/50/35/57/1071503557.db2.gz SHHNRVVSTHXSLF-HNNXBMFYSA-N 1 2 422.555 -0.070 20 0 HBADLO CCc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000464961990 1071503588 /nfs/dbraw/zinc/50/35/88/1071503588.db2.gz SHHNRVVSTHXSLF-OAHLLOKOSA-N 1 2 422.555 -0.070 20 0 HBADLO COC(=O)C(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000465002920 1071506075 /nfs/dbraw/zinc/50/60/75/1071506075.db2.gz BQENHTCRUBHXTJ-UHFFFAOYSA-N 1 2 405.521 -0.995 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000465072104 1071513775 /nfs/dbraw/zinc/51/37/75/1071513775.db2.gz KOEZTKZBIQFGMA-ARFHVFGLSA-N 1 2 416.544 -0.999 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000465072105 1071513698 /nfs/dbraw/zinc/51/36/98/1071513698.db2.gz KOEZTKZBIQFGMA-BZUAXINKSA-N 1 2 416.544 -0.999 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000465072106 1071513747 /nfs/dbraw/zinc/51/37/47/1071513747.db2.gz KOEZTKZBIQFGMA-HRCADAONSA-N 1 2 416.544 -0.999 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000465072107 1071513841 /nfs/dbraw/zinc/51/38/41/1071513841.db2.gz KOEZTKZBIQFGMA-OWCLPIDISA-N 1 2 416.544 -0.999 20 0 HBADLO Cn1c2c(ccn2CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(=O)n(C)c1=O ZINC000465074598 1071513877 /nfs/dbraw/zinc/51/38/77/1071513877.db2.gz YYEJCRGHEOBQQO-IBGZPJMESA-N 1 2 421.523 -0.637 20 0 HBADLO Cn1c2c(ccn2CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(=O)n(C)c1=O ZINC000465074610 1071514335 /nfs/dbraw/zinc/51/43/35/1071514335.db2.gz YYEJCRGHEOBQQO-LJQANCHMSA-N 1 2 421.523 -0.637 20 0 HBADLO Cn1c2c(ccn2CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(=O)n(C)c1=O ZINC000465120798 1071518610 /nfs/dbraw/zinc/51/86/10/1071518610.db2.gz LDCUBYHWCOXPDC-UHFFFAOYSA-N 1 2 415.454 -0.794 20 0 HBADLO Cn1c2c(ccn2CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000465133517 1071519929 /nfs/dbraw/zinc/51/99/29/1071519929.db2.gz MYPNSOQLGFYAGX-HNNXBMFYSA-N 1 2 403.483 -0.248 20 0 HBADLO Cn1c2c(ccn2CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000465133518 1071520373 /nfs/dbraw/zinc/52/03/73/1071520373.db2.gz MYPNSOQLGFYAGX-OAHLLOKOSA-N 1 2 403.483 -0.248 20 0 HBADLO NC(=O)NC1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000465226049 1071526017 /nfs/dbraw/zinc/52/60/17/1071526017.db2.gz UIQWXGIMSWWIRP-UHFFFAOYSA-N 1 2 403.487 -0.037 20 0 HBADLO CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000465255778 1071530043 /nfs/dbraw/zinc/53/00/43/1071530043.db2.gz QFEAKAFSHIICRT-CABCVRRESA-N 1 2 414.532 0.055 20 0 HBADLO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000465255790 1071530285 /nfs/dbraw/zinc/53/02/85/1071530285.db2.gz QFEAKAFSHIICRT-GJZGRUSLSA-N 1 2 414.532 0.055 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000465255794 1071530190 /nfs/dbraw/zinc/53/01/90/1071530190.db2.gz QFEAKAFSHIICRT-HUUCEWRRSA-N 1 2 414.532 0.055 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000465255797 1071530313 /nfs/dbraw/zinc/53/03/13/1071530313.db2.gz QFEAKAFSHIICRT-LSDHHAIUSA-N 1 2 414.532 0.055 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000465310918 1071533631 /nfs/dbraw/zinc/53/36/31/1071533631.db2.gz GQXMWMQBPPKKKA-CYBMUJFWSA-N 1 2 408.459 -0.994 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N(C)C)c2)CC1 ZINC000465310919 1071533462 /nfs/dbraw/zinc/53/34/62/1071533462.db2.gz GQXMWMQBPPKKKA-ZDUSSCGKSA-N 1 2 408.459 -0.994 20 0 HBADLO CCn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000465311592 1071533425 /nfs/dbraw/zinc/53/34/25/1071533425.db2.gz NZHQDGFSYRMGJN-UHFFFAOYSA-N 1 2 414.470 -0.183 20 0 HBADLO CCn1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000465311592 1071533422 /nfs/dbraw/zinc/53/34/22/1071533422.db2.gz NZHQDGFSYRMGJN-UHFFFAOYSA-N 1 2 414.470 -0.183 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cnn1C ZINC000465312427 1071533544 /nfs/dbraw/zinc/53/35/44/1071533544.db2.gz QFLDEBCMLYWPFI-UHFFFAOYSA-N 1 2 414.470 -0.358 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cnn1C ZINC000465312427 1071533539 /nfs/dbraw/zinc/53/35/39/1071533539.db2.gz QFLDEBCMLYWPFI-UHFFFAOYSA-N 1 2 414.470 -0.358 20 0 HBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000465331015 1071534929 /nfs/dbraw/zinc/53/49/29/1071534929.db2.gz DRGCTLCEVFRLEV-INIZCTEOSA-N 1 2 408.503 -0.227 20 0 HBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N(C)C)c1)[NH+]1CCOCC1 ZINC000465331016 1071534898 /nfs/dbraw/zinc/53/48/98/1071534898.db2.gz DRGCTLCEVFRLEV-MRXNPFEDSA-N 1 2 408.503 -0.227 20 0 HBADLO CC(C)(CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+]1CCOCC1 ZINC000465413496 1071612384 /nfs/dbraw/zinc/61/23/84/1071612384.db2.gz RSSMXQNIMXJZFL-UHFFFAOYSA-N 1 2 415.516 -0.058 20 0 HBADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000465506086 1071711987 /nfs/dbraw/zinc/71/19/87/1071711987.db2.gz ZRUANXDQGNOXPG-AWEZNQCLSA-N 1 2 413.500 -0.426 20 0 HBADLO COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000465506086 1071711982 /nfs/dbraw/zinc/71/19/82/1071711982.db2.gz ZRUANXDQGNOXPG-AWEZNQCLSA-N 1 2 413.500 -0.426 20 0 HBADLO COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000465506091 1071711948 /nfs/dbraw/zinc/71/19/48/1071711948.db2.gz ZRUANXDQGNOXPG-CQSZACIVSA-N 1 2 413.500 -0.426 20 0 HBADLO COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000465506091 1071711945 /nfs/dbraw/zinc/71/19/45/1071711945.db2.gz ZRUANXDQGNOXPG-CQSZACIVSA-N 1 2 413.500 -0.426 20 0 HBADLO Cc1nc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000465538185 1071777161 /nfs/dbraw/zinc/77/71/61/1071777161.db2.gz GGPXEQDGNUUTTH-UHFFFAOYSA-N 1 2 409.472 -0.276 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465595236 1069013914 /nfs/dbraw/zinc/01/39/14/1069013914.db2.gz JLOXKSLPUBQVDH-AWEZNQCLSA-N 1 2 401.489 -0.448 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465595237 1069013671 /nfs/dbraw/zinc/01/36/71/1069013671.db2.gz JLOXKSLPUBQVDH-CQSZACIVSA-N 1 2 401.489 -0.448 20 0 HBADLO NC(=O)COc1cccc(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000465631273 1069152410 /nfs/dbraw/zinc/15/24/10/1069152410.db2.gz DBIWJIJBQWGONO-UHFFFAOYSA-N 1 2 413.482 -0.038 20 0 HBADLO C[C@@](O)(CNC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C[NH+]1CCOCC1 ZINC000465752721 1069171937 /nfs/dbraw/zinc/17/19/37/1069171937.db2.gz JXCFJYDPJYRRRM-MSOLQXFVSA-N 1 2 402.561 -0.423 20 0 HBADLO C[C@@](O)(CNC(=O)NC[C@]1(N2CCOCC2)CCSC1)C[NH+]1CCOCC1 ZINC000465752722 1069171980 /nfs/dbraw/zinc/17/19/80/1069171980.db2.gz JXCFJYDPJYRRRM-QZTJIDSGSA-N 1 2 402.561 -0.423 20 0 HBADLO C[C@](O)(CNC(=O)NC[C@@]1(N2CCOCC2)CCSC1)C[NH+]1CCOCC1 ZINC000465752723 1069171914 /nfs/dbraw/zinc/17/19/14/1069171914.db2.gz JXCFJYDPJYRRRM-ROUUACIJSA-N 1 2 402.561 -0.423 20 0 HBADLO C[C@](O)(CNC(=O)NC[C@]1(N2CCOCC2)CCSC1)C[NH+]1CCOCC1 ZINC000465752724 1069171838 /nfs/dbraw/zinc/17/18/38/1069171838.db2.gz JXCFJYDPJYRRRM-ZWKOTPCHSA-N 1 2 402.561 -0.423 20 0 HBADLO Cn1ccnc(N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)c1=O ZINC000465763744 1069174893 /nfs/dbraw/zinc/17/48/93/1069174893.db2.gz SVKWRZJSRLLMCC-IBGZPJMESA-N 1 2 422.555 -0.180 20 0 HBADLO Cn1ccnc(N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)c1=O ZINC000465763746 1069175420 /nfs/dbraw/zinc/17/54/20/1069175420.db2.gz SVKWRZJSRLLMCC-LJQANCHMSA-N 1 2 422.555 -0.180 20 0 HBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCO1 ZINC000465813510 1069180739 /nfs/dbraw/zinc/18/07/39/1069180739.db2.gz WHDAPQYNKGWAPG-UHFFFAOYSA-N 1 2 415.516 -0.058 20 0 HBADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCO1 ZINC000465813510 1069180734 /nfs/dbraw/zinc/18/07/34/1069180734.db2.gz WHDAPQYNKGWAPG-UHFFFAOYSA-N 1 2 415.516 -0.058 20 0 HBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000465861383 1069198147 /nfs/dbraw/zinc/19/81/47/1069198147.db2.gz HPWAQKDHOGUGKB-CABCVRRESA-N 1 2 415.516 -0.059 20 0 HBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000465861384 1069198224 /nfs/dbraw/zinc/19/82/24/1069198224.db2.gz HPWAQKDHOGUGKB-GJZGRUSLSA-N 1 2 415.516 -0.059 20 0 HBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000465861385 1069198772 /nfs/dbraw/zinc/19/87/72/1069198772.db2.gz HPWAQKDHOGUGKB-HUUCEWRRSA-N 1 2 415.516 -0.059 20 0 HBADLO C[C@H]([C@H](C)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)[NH+]1CCOCC1 ZINC000465861386 1069198728 /nfs/dbraw/zinc/19/87/28/1069198728.db2.gz HPWAQKDHOGUGKB-LSDHHAIUSA-N 1 2 415.516 -0.059 20 0 HBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465876451 1069202829 /nfs/dbraw/zinc/20/28/29/1069202829.db2.gz LSSACHHTOMNBMP-IAGOWNOFSA-N 1 2 418.560 -0.019 20 0 HBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465876452 1069202725 /nfs/dbraw/zinc/20/27/25/1069202725.db2.gz LSSACHHTOMNBMP-SJORKVTESA-N 1 2 418.560 -0.019 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465894692 1069208803 /nfs/dbraw/zinc/20/88/03/1069208803.db2.gz NTMBSIJSPGKGBK-AWEZNQCLSA-N 1 2 401.489 -0.448 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465894692 1069208794 /nfs/dbraw/zinc/20/87/94/1069208794.db2.gz NTMBSIJSPGKGBK-AWEZNQCLSA-N 1 2 401.489 -0.448 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465894693 1069208909 /nfs/dbraw/zinc/20/89/09/1069208909.db2.gz NTMBSIJSPGKGBK-CQSZACIVSA-N 1 2 401.489 -0.448 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465894693 1069208899 /nfs/dbraw/zinc/20/88/99/1069208899.db2.gz NTMBSIJSPGKGBK-CQSZACIVSA-N 1 2 401.489 -0.448 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCSCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000465907317 1069211359 /nfs/dbraw/zinc/21/13/59/1069211359.db2.gz OOZHDRMAURPBNE-OAHLLOKOSA-N 1 2 406.574 -0.129 20 0 HBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465909635 1069212600 /nfs/dbraw/zinc/21/26/00/1069212600.db2.gz SUOGAIZOPGWMQF-HNNXBMFYSA-N 1 2 414.532 -0.533 20 0 HBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465909639 1069212493 /nfs/dbraw/zinc/21/24/93/1069212493.db2.gz SUOGAIZOPGWMQF-OAHLLOKOSA-N 1 2 414.532 -0.533 20 0 HBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC(CO)CO)cc2)CC1 ZINC000465938854 1069222048 /nfs/dbraw/zinc/22/20/48/1069222048.db2.gz IFJLPMWSBQPUEF-UHFFFAOYSA-N 1 2 408.499 -0.576 20 0 HBADLO CC1(C)COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465943237 1069221800 /nfs/dbraw/zinc/22/18/00/1069221800.db2.gz PAVSOCIEZCFKIF-UHFFFAOYSA-N 1 2 415.516 -0.058 20 0 HBADLO CC1(C)COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000465943237 1069221790 /nfs/dbraw/zinc/22/17/90/1069221790.db2.gz PAVSOCIEZCFKIF-UHFFFAOYSA-N 1 2 415.516 -0.058 20 0 HBADLO C[C@H](O)CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466055100 1069281970 /nfs/dbraw/zinc/28/19/70/1069281970.db2.gz GDZUUHCSOAGNTF-HNNXBMFYSA-N 1 2 405.565 -0.397 20 0 HBADLO C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466055101 1069282137 /nfs/dbraw/zinc/28/21/37/1069282137.db2.gz GDZUUHCSOAGNTF-OAHLLOKOSA-N 1 2 405.565 -0.397 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000466232223 1069310720 /nfs/dbraw/zinc/31/07/20/1069310720.db2.gz SABVGVNVQKFYNN-HNNXBMFYSA-N 1 2 415.502 -0.349 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)CC2 ZINC000466232224 1069310740 /nfs/dbraw/zinc/31/07/40/1069310740.db2.gz SABVGVNVQKFYNN-OAHLLOKOSA-N 1 2 415.502 -0.349 20 0 HBADLO CO[C@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466234299 1069312035 /nfs/dbraw/zinc/31/20/35/1069312035.db2.gz GIVVOWWQOGAECR-CVEARBPZSA-N 1 2 403.549 -0.237 20 0 HBADLO CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466234300 1069312061 /nfs/dbraw/zinc/31/20/61/1069312061.db2.gz GIVVOWWQOGAECR-JKSUJKDBSA-N 1 2 403.549 -0.237 20 0 HBADLO CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466278894 1069317307 /nfs/dbraw/zinc/31/73/07/1069317307.db2.gz RHGAAGKNFWLNAA-HNNXBMFYSA-N 1 2 419.548 -0.607 20 0 HBADLO CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466278904 1069317166 /nfs/dbraw/zinc/31/71/66/1069317166.db2.gz RHGAAGKNFWLNAA-OAHLLOKOSA-N 1 2 419.548 -0.607 20 0 HBADLO O=C(CCNC(=O)N1CCN2C(=O)NC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000466280303 1069316659 /nfs/dbraw/zinc/31/66/59/1069316659.db2.gz YTBCSSHALCBBJS-HNNXBMFYSA-N 1 2 401.471 -0.461 20 0 HBADLO O=C(CCNC(=O)N1CCN2C(=O)NC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000466280304 1069316774 /nfs/dbraw/zinc/31/67/74/1069316774.db2.gz YTBCSSHALCBBJS-OAHLLOKOSA-N 1 2 401.471 -0.461 20 0 HBADLO CCS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000466406512 1069329802 /nfs/dbraw/zinc/32/98/02/1069329802.db2.gz XSQGTBQKVICFTK-HNNXBMFYSA-N 1 2 412.512 -0.192 20 0 HBADLO CCS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000466406512 1069329788 /nfs/dbraw/zinc/32/97/88/1069329788.db2.gz XSQGTBQKVICFTK-HNNXBMFYSA-N 1 2 412.512 -0.192 20 0 HBADLO CCS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000466406513 1069330023 /nfs/dbraw/zinc/33/00/23/1069330023.db2.gz XSQGTBQKVICFTK-OAHLLOKOSA-N 1 2 412.512 -0.192 20 0 HBADLO CCS(=O)(=O)c1cccc(CNC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000466406513 1069330010 /nfs/dbraw/zinc/33/00/10/1069330010.db2.gz XSQGTBQKVICFTK-OAHLLOKOSA-N 1 2 412.512 -0.192 20 0 HBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(N3CCC[C@H](CO)C3)[nH+]cn1)C2 ZINC000466431453 1069332891 /nfs/dbraw/zinc/33/28/91/1069332891.db2.gz PXPQDWMEJSXJKL-AWEZNQCLSA-N 1 2 416.486 -0.848 20 0 HBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(N3CCC[C@@H](CO)C3)[nH+]cn1)C2 ZINC000466431454 1069332922 /nfs/dbraw/zinc/33/29/22/1069332922.db2.gz PXPQDWMEJSXJKL-CQSZACIVSA-N 1 2 416.486 -0.848 20 0 HBADLO CNc1nc(N2CCC[C@]3(CNC(=O)C3)C2)[nH+]c(N2CCC[C@]3(CNC(=O)C3)C2)n1 ZINC000466454277 1069336511 /nfs/dbraw/zinc/33/65/11/1069336511.db2.gz IBMRXZCCEMDKIN-PMACEKPBSA-N 1 2 414.514 -0.452 20 0 HBADLO CNc1nc(N2CCC[C@@]3(CNC(=O)C3)C2)[nH+]c(N2CCC[C@@]3(CNC(=O)C3)C2)n1 ZINC000466454279 1069336546 /nfs/dbraw/zinc/33/65/46/1069336546.db2.gz IBMRXZCCEMDKIN-WOJBJXKFSA-N 1 2 414.514 -0.452 20 0 HBADLO CN(Cc1nnnn1C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000466580160 1069420914 /nfs/dbraw/zinc/42/09/14/1069420914.db2.gz CAXJIGXQEIESQF-AWEZNQCLSA-N 1 2 416.490 -0.353 20 0 HBADLO CN(Cc1nnnn1C)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000466580160 1069420913 /nfs/dbraw/zinc/42/09/13/1069420913.db2.gz CAXJIGXQEIESQF-AWEZNQCLSA-N 1 2 416.490 -0.353 20 0 HBADLO CN(Cc1nnnn1C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000466580161 1069420706 /nfs/dbraw/zinc/42/07/06/1069420706.db2.gz CAXJIGXQEIESQF-CQSZACIVSA-N 1 2 416.490 -0.353 20 0 HBADLO CN(Cc1nnnn1C)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000466580161 1069420694 /nfs/dbraw/zinc/42/06/94/1069420694.db2.gz CAXJIGXQEIESQF-CQSZACIVSA-N 1 2 416.490 -0.353 20 0 HBADLO Cc1nn(C)c(C)c1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000466598463 1069426801 /nfs/dbraw/zinc/42/68/01/1069426801.db2.gz RBDBKCZVALUSHZ-UHFFFAOYSA-N 1 2 413.548 -0.644 20 0 HBADLO O=C(NCCN1CCc2ccccc2C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000466635582 1069539065 /nfs/dbraw/zinc/53/90/65/1069539065.db2.gz PDIMEFCDVFLXSX-GOSISDBHSA-N 1 2 414.506 -0.018 20 0 HBADLO O=C(NCCN1CCc2ccccc2C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000466635583 1069539016 /nfs/dbraw/zinc/53/90/16/1069539016.db2.gz PDIMEFCDVFLXSX-SFHVURJKSA-N 1 2 414.506 -0.018 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)Cc3nnnn3C)cc2)CC1 ZINC000466662380 1069579913 /nfs/dbraw/zinc/57/99/13/1069579913.db2.gz VVFPCHPPIRQKQB-UHFFFAOYSA-N 1 2 400.487 -0.055 20 0 HBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000466771457 1071863309 /nfs/dbraw/zinc/86/33/09/1071863309.db2.gz JVMNOEFUTGLXNK-AWEZNQCLSA-N 1 2 414.470 -0.668 20 0 HBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)C2 ZINC000466771458 1071863341 /nfs/dbraw/zinc/86/33/41/1071863341.db2.gz JVMNOEFUTGLXNK-CQSZACIVSA-N 1 2 414.470 -0.668 20 0 HBADLO Cc1c(-c2cc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)on2)cnn1C ZINC000466832750 1071920746 /nfs/dbraw/zinc/92/07/46/1071920746.db2.gz DDBSTINGGZDSAR-UHFFFAOYSA-N 1 2 423.543 -0.007 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn1C ZINC000466860225 1071922561 /nfs/dbraw/zinc/92/25/61/1071922561.db2.gz XHEUGUAFXVPPAS-UHFFFAOYSA-N 1 2 419.467 -0.001 20 0 HBADLO C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCO1 ZINC000466880289 1071965217 /nfs/dbraw/zinc/96/52/17/1071965217.db2.gz IYQADPJYOACELG-INIZCTEOSA-N 1 2 403.483 -0.488 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCO1 ZINC000466880289 1071965210 /nfs/dbraw/zinc/96/52/10/1071965210.db2.gz IYQADPJYOACELG-INIZCTEOSA-N 1 2 403.483 -0.488 20 0 HBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCO1 ZINC000466880290 1071965143 /nfs/dbraw/zinc/96/51/43/1071965143.db2.gz IYQADPJYOACELG-MRXNPFEDSA-N 1 2 403.483 -0.488 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2=O)CCO1 ZINC000466880290 1071965133 /nfs/dbraw/zinc/96/51/33/1071965133.db2.gz IYQADPJYOACELG-MRXNPFEDSA-N 1 2 403.483 -0.488 20 0 HBADLO Cc1nnc2c(NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)nccn12 ZINC000466931488 1069659262 /nfs/dbraw/zinc/65/92/62/1069659262.db2.gz VSSCJGGHVLAYKV-UHFFFAOYSA-N 1 2 402.484 0.392 20 0 HBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466932882 1071968615 /nfs/dbraw/zinc/96/86/15/1071968615.db2.gz FCHOZBBPVKPITG-GFCCVEGCSA-N 1 2 409.491 -0.313 20 0 HBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466932882 1071968609 /nfs/dbraw/zinc/96/86/09/1071968609.db2.gz FCHOZBBPVKPITG-GFCCVEGCSA-N 1 2 409.491 -0.313 20 0 HBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466932883 1071968462 /nfs/dbraw/zinc/96/84/62/1071968462.db2.gz FCHOZBBPVKPITG-LBPRGKRZSA-N 1 2 409.491 -0.313 20 0 HBADLO CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2CC[C@H](NC(=O)NC)C2)c(=O)[nH]c1=O ZINC000466932883 1071968455 /nfs/dbraw/zinc/96/84/55/1071968455.db2.gz FCHOZBBPVKPITG-LBPRGKRZSA-N 1 2 409.491 -0.313 20 0 HBADLO CNC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000466952002 1071969149 /nfs/dbraw/zinc/96/91/49/1071969149.db2.gz PXHRKHWKYFESIR-KRWDZBQOSA-N 1 2 403.483 -0.222 20 0 HBADLO CNC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000466952002 1071969139 /nfs/dbraw/zinc/96/91/39/1071969139.db2.gz PXHRKHWKYFESIR-KRWDZBQOSA-N 1 2 403.483 -0.222 20 0 HBADLO CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000466952003 1071969322 /nfs/dbraw/zinc/96/93/22/1071969322.db2.gz PXHRKHWKYFESIR-QGZVFWFLSA-N 1 2 403.483 -0.222 20 0 HBADLO CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000466952003 1071969311 /nfs/dbraw/zinc/96/93/11/1071969311.db2.gz PXHRKHWKYFESIR-QGZVFWFLSA-N 1 2 403.483 -0.222 20 0 HBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCc1cn3c([nH+]1)CCCC3)C2 ZINC000466980663 1071970362 /nfs/dbraw/zinc/97/03/62/1071970362.db2.gz IBOSRTJIAYESMH-UHFFFAOYSA-N 1 2 416.486 -0.566 20 0 HBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCCCNc1cccc[nH+]1)C2 ZINC000466982485 1069625860 /nfs/dbraw/zinc/62/58/60/1069625860.db2.gz IIXXZWRKMLEPIU-UHFFFAOYSA-N 1 2 402.459 -0.445 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000467021138 1071972537 /nfs/dbraw/zinc/97/25/37/1071972537.db2.gz IHSSSDFXHFIWAB-CABCVRRESA-N 1 2 406.487 -0.964 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000467021143 1071972667 /nfs/dbraw/zinc/97/26/67/1071972667.db2.gz IHSSSDFXHFIWAB-GJZGRUSLSA-N 1 2 406.487 -0.964 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000467021145 1071973299 /nfs/dbraw/zinc/97/32/99/1071973299.db2.gz IHSSSDFXHFIWAB-HUUCEWRRSA-N 1 2 406.487 -0.964 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000467021147 1071972729 /nfs/dbraw/zinc/97/27/29/1071972729.db2.gz IHSSSDFXHFIWAB-LSDHHAIUSA-N 1 2 406.487 -0.964 20 0 HBADLO Cc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000467067675 1068332320 /nfs/dbraw/zinc/33/23/20/1068332320.db2.gz FHQCAUFTUDNCTL-UHFFFAOYSA-N 1 2 408.528 -0.088 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467126843 1071984101 /nfs/dbraw/zinc/98/41/01/1071984101.db2.gz FPPIJGQXEFMMGS-INMHGKMJSA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467126844 1071984119 /nfs/dbraw/zinc/98/41/19/1071984119.db2.gz FPPIJGQXEFMMGS-UXLLHSPISA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467126845 1071984182 /nfs/dbraw/zinc/98/41/82/1071984182.db2.gz FPPIJGQXEFMMGS-VYDXJSESSA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467126846 1071984209 /nfs/dbraw/zinc/98/42/09/1071984209.db2.gz FPPIJGQXEFMMGS-ZOBUZTSGSA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000467131450 1071984552 /nfs/dbraw/zinc/98/45/52/1071984552.db2.gz YCTVAHFZORADHC-OIISXLGYSA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000467131451 1071984712 /nfs/dbraw/zinc/98/47/12/1071984712.db2.gz YCTVAHFZORADHC-PVAVHDDUSA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000467131452 1071984762 /nfs/dbraw/zinc/98/47/62/1071984762.db2.gz YCTVAHFZORADHC-UAGQMJEPSA-N 1 2 419.482 -0.046 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000467131453 1071984664 /nfs/dbraw/zinc/98/46/64/1071984664.db2.gz YCTVAHFZORADHC-XIRDDKMYSA-N 1 2 419.482 -0.046 20 0 HBADLO Cc1ccccc1C[C@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467149820 1071987418 /nfs/dbraw/zinc/98/74/18/1071987418.db2.gz GXNOQDVHHAUUBT-GOSISDBHSA-N 1 2 415.494 0.182 20 0 HBADLO Cc1ccccc1C[C@@H](CO)NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000467149821 1071987306 /nfs/dbraw/zinc/98/73/06/1071987306.db2.gz GXNOQDVHHAUUBT-SFHVURJKSA-N 1 2 415.494 0.182 20 0 HBADLO NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000467152972 1071988018 /nfs/dbraw/zinc/98/80/18/1071988018.db2.gz SOYOTUBBOCULGE-GOSISDBHSA-N 1 2 410.540 -0.112 20 0 HBADLO NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000467152973 1071987888 /nfs/dbraw/zinc/98/78/88/1071987888.db2.gz SOYOTUBBOCULGE-SFHVURJKSA-N 1 2 410.540 -0.112 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000467163691 1071988555 /nfs/dbraw/zinc/98/85/55/1071988555.db2.gz DVYCYAWGROZCMM-UHFFFAOYSA-N 1 2 401.427 -0.017 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000467173058 1071989241 /nfs/dbraw/zinc/98/92/41/1071989241.db2.gz CJVFRCZFZHSFRP-GWQKEKGPSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000467173058 1071989235 /nfs/dbraw/zinc/98/92/35/1071989235.db2.gz CJVFRCZFZHSFRP-GWQKEKGPSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000467173059 1071989040 /nfs/dbraw/zinc/98/90/40/1071989040.db2.gz CJVFRCZFZHSFRP-MZHQLVBMSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000467173059 1071989034 /nfs/dbraw/zinc/98/90/34/1071989034.db2.gz CJVFRCZFZHSFRP-MZHQLVBMSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000467173060 1071989217 /nfs/dbraw/zinc/98/92/17/1071989217.db2.gz CJVFRCZFZHSFRP-QDXKXIGTSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000467173060 1071989210 /nfs/dbraw/zinc/98/92/10/1071989210.db2.gz CJVFRCZFZHSFRP-QDXKXIGTSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000467173061 1071989022 /nfs/dbraw/zinc/98/90/22/1071989022.db2.gz CJVFRCZFZHSFRP-RYZVSIALSA-N 1 2 420.557 -0.177 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000467173061 1071989015 /nfs/dbraw/zinc/98/90/15/1071989015.db2.gz CJVFRCZFZHSFRP-RYZVSIALSA-N 1 2 420.557 -0.177 20 0 HBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000467173481 1071989169 /nfs/dbraw/zinc/98/91/69/1071989169.db2.gz CTUYLCZKBMAAEH-INIZCTEOSA-N 1 2 412.498 -0.570 20 0 HBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000467173482 1071989251 /nfs/dbraw/zinc/98/92/51/1071989251.db2.gz CTUYLCZKBMAAEH-MRXNPFEDSA-N 1 2 412.498 -0.570 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000467176216 1071989693 /nfs/dbraw/zinc/98/96/93/1071989693.db2.gz NVNGCSZOBHQYAK-GFCCVEGCSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000467176216 1071989680 /nfs/dbraw/zinc/98/96/80/1071989680.db2.gz NVNGCSZOBHQYAK-GFCCVEGCSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000467176217 1071989782 /nfs/dbraw/zinc/98/97/82/1071989782.db2.gz NVNGCSZOBHQYAK-LBPRGKRZSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000467176217 1071989778 /nfs/dbraw/zinc/98/97/78/1071989778.db2.gz NVNGCSZOBHQYAK-LBPRGKRZSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000467224832 1071991046 /nfs/dbraw/zinc/99/10/46/1071991046.db2.gz YEZRTHLPESAXMG-GFCCVEGCSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000467224833 1071990854 /nfs/dbraw/zinc/99/08/54/1071990854.db2.gz YEZRTHLPESAXMG-LBPRGKRZSA-N 1 2 409.443 -0.369 20 0 HBADLO CO[C@@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000467257757 1071993397 /nfs/dbraw/zinc/99/33/97/1071993397.db2.gz RCCUOQDQRLDPNT-HNNXBMFYSA-N 1 2 405.565 -0.133 20 0 HBADLO CO[C@H](CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000467257758 1071993656 /nfs/dbraw/zinc/99/36/56/1071993656.db2.gz RCCUOQDQRLDPNT-OAHLLOKOSA-N 1 2 405.565 -0.133 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000467259606 1069608664 /nfs/dbraw/zinc/60/86/64/1069608664.db2.gz AFCIIJNSPDHCLH-KRWDZBQOSA-N 1 2 401.467 -0.126 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H](CO)Cc1ccccc1 ZINC000467260467 1071994281 /nfs/dbraw/zinc/99/42/81/1071994281.db2.gz MGHUNFBJXATAQS-KRWDZBQOSA-N 1 2 401.467 -0.126 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285063 1071995967 /nfs/dbraw/zinc/99/59/67/1071995967.db2.gz BHMVCUPDVULONE-HLIPFELVSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285063 1071995950 /nfs/dbraw/zinc/99/59/50/1071995950.db2.gz BHMVCUPDVULONE-HLIPFELVSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285069 1071995997 /nfs/dbraw/zinc/99/59/97/1071995997.db2.gz BHMVCUPDVULONE-QKLQHJQFSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285069 1071995993 /nfs/dbraw/zinc/99/59/93/1071995993.db2.gz BHMVCUPDVULONE-QKLQHJQFSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285070 1071996042 /nfs/dbraw/zinc/99/60/42/1071996042.db2.gz BHMVCUPDVULONE-UWVAXJGDSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285070 1071996035 /nfs/dbraw/zinc/99/60/35/1071996035.db2.gz BHMVCUPDVULONE-UWVAXJGDSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285071 1071995823 /nfs/dbraw/zinc/99/58/23/1071995823.db2.gz BHMVCUPDVULONE-ZWOKBUDYSA-N 1 2 422.526 -0.737 20 0 HBADLO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000467285071 1071995818 /nfs/dbraw/zinc/99/58/18/1071995818.db2.gz BHMVCUPDVULONE-ZWOKBUDYSA-N 1 2 422.526 -0.737 20 0 HBADLO O=C(CN1CCN(C(=O)C[NH+]2CCN(c3cccs3)CC2)CC1)N1CCOCC1 ZINC000467293952 1071571566 /nfs/dbraw/zinc/57/15/66/1071571566.db2.gz RCGIXOVEBPCIKI-UHFFFAOYSA-N 1 2 421.567 -0.127 20 0 HBADLO Cc1cccc(C[C@H](CO)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000467304955 1069631997 /nfs/dbraw/zinc/63/19/97/1069631997.db2.gz AVSRBZCFOOAQEI-GOSISDBHSA-N 1 2 415.494 0.182 20 0 HBADLO Cc1cccc(C[C@@H](CO)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000467304956 1072001549 /nfs/dbraw/zinc/00/15/49/1072001549.db2.gz AVSRBZCFOOAQEI-SFHVURJKSA-N 1 2 415.494 0.182 20 0 HBADLO Cc1ccc(C[C@H](CO)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000467319766 1069625266 /nfs/dbraw/zinc/62/52/66/1069625266.db2.gz NBQCULBHQCBBNN-GOSISDBHSA-N 1 2 415.494 0.182 20 0 HBADLO Cc1ccc(C[C@@H](CO)NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000467319767 1069624408 /nfs/dbraw/zinc/62/44/08/1069624408.db2.gz NBQCULBHQCBBNN-SFHVURJKSA-N 1 2 415.494 0.182 20 0 HBADLO COC(=O)c1cn(C2CN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)nn1 ZINC000467332669 1072004800 /nfs/dbraw/zinc/00/48/00/1072004800.db2.gz ZVZDPBCVIWCWGD-UHFFFAOYSA-N 1 2 404.431 -0.318 20 0 HBADLO COC(=O)c1cn(C2CN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)nn1 ZINC000467390882 1072006231 /nfs/dbraw/zinc/00/62/31/1072006231.db2.gz AUYIZOMBTMUDED-UHFFFAOYSA-N 1 2 404.431 -0.318 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000467476209 1072008720 /nfs/dbraw/zinc/00/87/20/1072008720.db2.gz GXNRRVZVRAVRLK-AWEZNQCLSA-N 1 2 404.475 0.090 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000467476210 1072008684 /nfs/dbraw/zinc/00/86/84/1072008684.db2.gz GXNRRVZVRAVRLK-CQSZACIVSA-N 1 2 404.475 0.090 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000467499278 1071404053 /nfs/dbraw/zinc/40/40/53/1071404053.db2.gz BUBMIXQVIXFICP-UHFFFAOYSA-N 1 2 418.541 -0.905 20 0 HBADLO C[C@](O)(CNC(=O)CNC(=O)c1cnc2ccccc2c1O)C[NH+]1CCOCC1 ZINC000467503289 1072010459 /nfs/dbraw/zinc/01/04/59/1072010459.db2.gz NYPFHHINAZUPNE-FQEVSTJZSA-N 1 2 402.451 -0.543 20 0 HBADLO C[C@@](O)(CNC(=O)CNC(=O)c1cnc2ccccc2c1O)C[NH+]1CCOCC1 ZINC000467503290 1072010447 /nfs/dbraw/zinc/01/04/47/1072010447.db2.gz NYPFHHINAZUPNE-HXUWFJFHSA-N 1 2 402.451 -0.543 20 0 HBADLO CC(=O)N1CC[NH+](CCNC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)CC1 ZINC000467537619 1072012269 /nfs/dbraw/zinc/01/22/69/1072012269.db2.gz YWGZVXMNCXBUSS-UHFFFAOYSA-N 1 2 419.526 -0.116 20 0 HBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c[nH]1 ZINC000467545313 1072012783 /nfs/dbraw/zinc/01/27/83/1072012783.db2.gz ZXXQHJNJGSNTOM-CYBMUJFWSA-N 1 2 413.500 -0.895 20 0 HBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c[nH]1 ZINC000467545314 1072012805 /nfs/dbraw/zinc/01/28/05/1072012805.db2.gz ZXXQHJNJGSNTOM-ZDUSSCGKSA-N 1 2 413.500 -0.895 20 0 HBADLO Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000467608950 1072017215 /nfs/dbraw/zinc/01/72/15/1072017215.db2.gz SRTDULIOTFFREV-FWQZJQRASA-N 1 2 423.539 -0.767 20 0 HBADLO Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000467608951 1072017016 /nfs/dbraw/zinc/01/70/16/1072017016.db2.gz SRTDULIOTFFREV-JAWSWAEFSA-N 1 2 423.539 -0.767 20 0 HBADLO Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000467608952 1072017590 /nfs/dbraw/zinc/01/75/90/1072017590.db2.gz SRTDULIOTFFREV-QSAIWZQVSA-N 1 2 423.539 -0.767 20 0 HBADLO Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC000467608953 1072017843 /nfs/dbraw/zinc/01/78/43/1072017843.db2.gz SRTDULIOTFFREV-WBVDLGDASA-N 1 2 423.539 -0.767 20 0 HBADLO CNc1nc(N2CCN(C(=O)C(C)C)CC2)[nH+]c(N2CCN(C(=O)C(C)C)CC2)n1 ZINC000467736565 1072025641 /nfs/dbraw/zinc/02/56/41/1072025641.db2.gz DISNCTDNHHQQCO-UHFFFAOYSA-N 1 2 418.546 -0.056 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(F)(F)CO ZINC000467816176 1072028500 /nfs/dbraw/zinc/02/85/00/1072028500.db2.gz CWFFUQZUPDFBEB-UHFFFAOYSA-N 1 2 407.443 -0.540 20 0 HBADLO CC(C)[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(N)=O ZINC000467817630 1072028553 /nfs/dbraw/zinc/02/85/53/1072028553.db2.gz PRYTYGGMVAWOKE-OAHLLOKOSA-N 1 2 412.516 -0.658 20 0 HBADLO Cc1nn(C)c(C)c1OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000467822790 1072029062 /nfs/dbraw/zinc/02/90/62/1072029062.db2.gz LIJFAPXZAOVVIO-UHFFFAOYSA-N 1 2 414.532 -0.948 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1COc2ccc(F)cc21 ZINC000467889196 1069608990 /nfs/dbraw/zinc/60/89/90/1069608990.db2.gz XADSZGIHXIKIAM-HNNXBMFYSA-N 1 2 403.414 0.543 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1COc2ccc(F)cc21 ZINC000467889197 1069608787 /nfs/dbraw/zinc/60/87/87/1069608787.db2.gz XADSZGIHXIKIAM-OAHLLOKOSA-N 1 2 403.414 0.543 20 0 HBADLO CNC(=O)N[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000467908746 1072035027 /nfs/dbraw/zinc/03/50/27/1072035027.db2.gz HRHFABVVPGYVRD-HNNXBMFYSA-N 1 2 403.487 -0.167 20 0 HBADLO CNC(=O)N[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000467908753 1072034861 /nfs/dbraw/zinc/03/48/61/1072034861.db2.gz HRHFABVVPGYVRD-OAHLLOKOSA-N 1 2 403.487 -0.167 20 0 HBADLO C[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO[C@H]1C1CC1 ZINC000467945420 1072037098 /nfs/dbraw/zinc/03/70/98/1072037098.db2.gz JDCVFZXSIYCPOU-FXAWDEMLSA-N 1 2 405.499 0.475 20 0 HBADLO C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO[C@H]1C1CC1 ZINC000467945421 1069362520 /nfs/dbraw/zinc/36/25/20/1069362520.db2.gz JDCVFZXSIYCPOU-PXNSSMCTSA-N 1 2 405.499 0.475 20 0 HBADLO C[C@@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO[C@@H]1C1CC1 ZINC000467945422 1069547081 /nfs/dbraw/zinc/54/70/81/1069547081.db2.gz JDCVFZXSIYCPOU-XLIONFOSSA-N 1 2 405.499 0.475 20 0 HBADLO C[C@]1(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO[C@@H]1C1CC1 ZINC000467945423 1072036975 /nfs/dbraw/zinc/03/69/75/1072036975.db2.gz JDCVFZXSIYCPOU-YLJYHZDGSA-N 1 2 405.499 0.475 20 0 HBADLO CNC(=O)C1CN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000468058280 1072044693 /nfs/dbraw/zinc/04/46/93/1072044693.db2.gz CSBLMSSSXWRMGW-UHFFFAOYSA-N 1 2 401.467 -0.506 20 0 HBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000468073987 1072047207 /nfs/dbraw/zinc/04/72/07/1072047207.db2.gz FQAWZNMHOBTKTB-KRWDZBQOSA-N 1 2 402.499 -0.098 20 0 HBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000468073988 1072047096 /nfs/dbraw/zinc/04/70/96/1072047096.db2.gz FQAWZNMHOBTKTB-QGZVFWFLSA-N 1 2 402.499 -0.098 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@@H]32)CC1 ZINC000468121707 1072049994 /nfs/dbraw/zinc/04/99/94/1072049994.db2.gz RLVNVHYAPHYNAR-CVEARBPZSA-N 1 2 412.498 -0.245 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@@H]32)CC1 ZINC000468121708 1072050205 /nfs/dbraw/zinc/05/02/05/1072050205.db2.gz RLVNVHYAPHYNAR-HOTGVXAUSA-N 1 2 412.498 -0.245 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N[C@@H]3CCCC[C@H]32)CC1 ZINC000468121709 1072050069 /nfs/dbraw/zinc/05/00/69/1072050069.db2.gz RLVNVHYAPHYNAR-HZPDHXFCSA-N 1 2 412.498 -0.245 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)N[C@H]3CCCC[C@H]32)CC1 ZINC000468121710 1072050033 /nfs/dbraw/zinc/05/00/33/1072050033.db2.gz RLVNVHYAPHYNAR-JKSUJKDBSA-N 1 2 412.498 -0.245 20 0 HBADLO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000468236272 1072054818 /nfs/dbraw/zinc/05/48/18/1072054818.db2.gz XTXLZGXRLFBBTN-RYUDHWBXSA-N 1 2 416.500 -0.339 20 0 HBADLO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000468236273 1072054957 /nfs/dbraw/zinc/05/49/57/1072054957.db2.gz XTXLZGXRLFBBTN-TXEJJXNPSA-N 1 2 416.500 -0.339 20 0 HBADLO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@H](C)O1 ZINC000468236273 1072054951 /nfs/dbraw/zinc/05/49/51/1072054951.db2.gz XTXLZGXRLFBBTN-TXEJJXNPSA-N 1 2 416.500 -0.339 20 0 HBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(S(=O)(=O)NCC(N)=O)o2)C[C@@H](C)O1 ZINC000468236274 1072055027 /nfs/dbraw/zinc/05/50/27/1072055027.db2.gz XTXLZGXRLFBBTN-VXGBXAGGSA-N 1 2 416.500 -0.339 20 0 HBADLO NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2Cn2cc[nH+]c2)c[nH]1 ZINC000468237392 1072054925 /nfs/dbraw/zinc/05/49/25/1072054925.db2.gz GXNCGOHVIAQOEH-UHFFFAOYSA-N 1 2 416.463 -0.047 20 0 HBADLO CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000468254276 1072055972 /nfs/dbraw/zinc/05/59/72/1072055972.db2.gz YOPUWIPZXABZOD-GXTWGEPZSA-N 1 2 409.516 -0.024 20 0 HBADLO CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000468254277 1072056081 /nfs/dbraw/zinc/05/60/81/1072056081.db2.gz YOPUWIPZXABZOD-JSGCOSHPSA-N 1 2 409.516 -0.024 20 0 HBADLO CC[C@@H](C)[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000468254278 1072055942 /nfs/dbraw/zinc/05/59/42/1072055942.db2.gz YOPUWIPZXABZOD-OCCSQVGLSA-N 1 2 409.516 -0.024 20 0 HBADLO CC[C@@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000468254279 1072056032 /nfs/dbraw/zinc/05/60/32/1072056032.db2.gz YOPUWIPZXABZOD-TZMCWYRMSA-N 1 2 409.516 -0.024 20 0 HBADLO C[C@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000468272036 1072057669 /nfs/dbraw/zinc/05/76/69/1072057669.db2.gz RQZNGHDIXXHJMX-GOSISDBHSA-N 1 2 409.575 -0.158 20 0 HBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000468272037 1072057566 /nfs/dbraw/zinc/05/75/66/1072057566.db2.gz RQZNGHDIXXHJMX-SFHVURJKSA-N 1 2 409.575 -0.158 20 0 HBADLO COCCNC(=O)CN1CCN(C(=O)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000468276032 1072057689 /nfs/dbraw/zinc/05/76/89/1072057689.db2.gz AMAYXDXUHYISEB-UHFFFAOYSA-N 1 2 404.515 -0.890 20 0 HBADLO Cc1ccn(C[C@](C)(O)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c(=O)c1 ZINC000468277317 1072057900 /nfs/dbraw/zinc/05/79/00/1072057900.db2.gz DLCUEAUNJUYQNP-FQEVSTJZSA-N 1 2 400.483 -0.364 20 0 HBADLO Cc1ccn(C[C@@](C)(O)C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c(=O)c1 ZINC000468277318 1072058146 /nfs/dbraw/zinc/05/81/46/1072058146.db2.gz DLCUEAUNJUYQNP-HXUWFJFHSA-N 1 2 400.483 -0.364 20 0 HBADLO C[C@](O)(Cn1ccccc1=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468292316 1072059049 /nfs/dbraw/zinc/05/90/49/1072059049.db2.gz QYKIAUWABUCSKV-NRFANRHFSA-N 1 2 413.478 -0.151 20 0 HBADLO C[C@@](O)(Cn1ccccc1=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468292317 1072059122 /nfs/dbraw/zinc/05/91/22/1072059122.db2.gz QYKIAUWABUCSKV-OAQYLSRUSA-N 1 2 413.478 -0.151 20 0 HBADLO CN1CCN(c2cc(N3CCN(S(=O)(=O)c4cccnc4)CC3)nc[nH+]2)CC1=O ZINC000468415384 1072067049 /nfs/dbraw/zinc/06/70/49/1072067049.db2.gz WPLCOCJVGMURQG-UHFFFAOYSA-N 1 2 417.495 -0.339 20 0 HBADLO CN1CCN(c2cc(N3CCN(S(=O)(=O)c4cccnc4)CC3)[nH+]cn2)CC1=O ZINC000468415384 1072067038 /nfs/dbraw/zinc/06/70/38/1072067038.db2.gz WPLCOCJVGMURQG-UHFFFAOYSA-N 1 2 417.495 -0.339 20 0 HBADLO CN1CCN(c2cc(N3CCN(CC(=O)N4CCCCC4)CC3)nc[nH+]2)CC1=O ZINC000468419758 1072067574 /nfs/dbraw/zinc/06/75/74/1072067574.db2.gz ONRMRYMQKSDCNZ-UHFFFAOYSA-N 1 2 401.515 -0.111 20 0 HBADLO CN1CCN(c2cc(N3CCN(CC(=O)Nc4nncs4)CC3)nc[nH+]2)CC1=O ZINC000468420135 1072067473 /nfs/dbraw/zinc/06/74/73/1072067473.db2.gz OHXOJZVFXSPVOB-UHFFFAOYSA-N 1 2 417.499 -0.633 20 0 HBADLO Cc1cc(NC(=O)CN2CCN(c3cc(N4CCN(C)C(=O)C4)[nH+]cn3)CC2)no1 ZINC000468429839 1072067991 /nfs/dbraw/zinc/06/79/91/1072067991.db2.gz OXLUVIGLIVKGMS-UHFFFAOYSA-N 1 2 414.470 -0.188 20 0 HBADLO O=C(Cn1ccc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)n1)N1CCOCC1 ZINC000468437224 1072069658 /nfs/dbraw/zinc/06/96/58/1072069658.db2.gz GVWFMDWPRXSDFS-UHFFFAOYSA-N 1 2 415.454 -0.306 20 0 HBADLO CN(C)C(=O)CCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468466114 1072072253 /nfs/dbraw/zinc/07/22/53/1072072253.db2.gz GSOICNBMOCXOCN-UHFFFAOYSA-N 1 2 411.528 -0.092 20 0 HBADLO Cc1cc(=O)c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c[nH]1 ZINC000468466672 1072072198 /nfs/dbraw/zinc/07/21/98/1072072198.db2.gz JRTQGKPRNODFPB-UHFFFAOYSA-N 1 2 405.480 -0.040 20 0 HBADLO Cc1nc(SCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n[nH]1 ZINC000468492118 1068992587 /nfs/dbraw/zinc/99/25/87/1068992587.db2.gz LICFTNHFECUTQK-UHFFFAOYSA-N 1 2 417.561 -0.768 20 0 HBADLO COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000468494963 1072074296 /nfs/dbraw/zinc/07/42/96/1072074296.db2.gz FVYGQOOTXKCFGS-CVEARBPZSA-N 1 2 416.544 -0.398 20 0 HBADLO COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000468494964 1072074346 /nfs/dbraw/zinc/07/43/46/1072074346.db2.gz FVYGQOOTXKCFGS-HOTGVXAUSA-N 1 2 416.544 -0.398 20 0 HBADLO COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000468494965 1072074432 /nfs/dbraw/zinc/07/44/32/1072074432.db2.gz FVYGQOOTXKCFGS-HZPDHXFCSA-N 1 2 416.544 -0.398 20 0 HBADLO COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000468494966 1072074513 /nfs/dbraw/zinc/07/45/13/1072074513.db2.gz FVYGQOOTXKCFGS-JKSUJKDBSA-N 1 2 416.544 -0.398 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000468537883 1072076849 /nfs/dbraw/zinc/07/68/49/1072076849.db2.gz UWZDTFCLSKFOPH-UHFFFAOYSA-N 1 2 421.465 -0.343 20 0 HBADLO COCCN1CCCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1=O ZINC000468540978 1072077127 /nfs/dbraw/zinc/07/71/27/1072077127.db2.gz DMBKLBMDCLDRHE-UHFFFAOYSA-N 1 2 405.503 -0.511 20 0 HBADLO COC(=O)[C@@H]1CNC(=O)CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468647181 1072084847 /nfs/dbraw/zinc/08/48/47/1072084847.db2.gz CSNIUDUICBBWFE-AWEZNQCLSA-N 1 2 403.439 -0.990 20 0 HBADLO COC(=O)[C@H]1CNC(=O)CN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000468647184 1072085051 /nfs/dbraw/zinc/08/50/51/1072085051.db2.gz CSNIUDUICBBWFE-CQSZACIVSA-N 1 2 403.439 -0.990 20 0 HBADLO CCN1CC[NH+]([C@@H](C)CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725083 1072090990 /nfs/dbraw/zinc/09/09/90/1072090990.db2.gz PQDQGCBPAZYUDM-INIZCTEOSA-N 1 2 409.556 0.390 20 0 HBADLO CCN1CC[NH+]([C@H](C)CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725088 1069616322 /nfs/dbraw/zinc/61/63/22/1069616322.db2.gz PQDQGCBPAZYUDM-MRXNPFEDSA-N 1 2 409.556 0.390 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC000468774504 1072093667 /nfs/dbraw/zinc/09/36/67/1072093667.db2.gz AZXYUNJXFGVZQB-UHFFFAOYSA-N 1 2 409.556 -0.050 20 0 HBADLO COCCN1CCCN(c2cc(N3CCCN(CCOC)C(=O)C3)[nH+]cn2)CC1=O ZINC000468845220 1072097416 /nfs/dbraw/zinc/09/74/16/1072097416.db2.gz FPHMTEVOFVYENH-UHFFFAOYSA-N 1 2 420.514 -0.153 20 0 HBADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468855270 1072097774 /nfs/dbraw/zinc/09/77/74/1072097774.db2.gz FOIPCQDAIZEFIA-AWEZNQCLSA-N 1 2 424.523 -0.086 20 0 HBADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468855270 1072097767 /nfs/dbraw/zinc/09/77/67/1072097767.db2.gz FOIPCQDAIZEFIA-AWEZNQCLSA-N 1 2 424.523 -0.086 20 0 HBADLO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468855388 1072097956 /nfs/dbraw/zinc/09/79/56/1072097956.db2.gz FOIPCQDAIZEFIA-CQSZACIVSA-N 1 2 424.523 -0.086 20 0 HBADLO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000468855388 1072097947 /nfs/dbraw/zinc/09/79/47/1072097947.db2.gz FOIPCQDAIZEFIA-CQSZACIVSA-N 1 2 424.523 -0.086 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000468884281 1072098915 /nfs/dbraw/zinc/09/89/15/1072098915.db2.gz JARPSCNGHAEHBQ-GXTWGEPZSA-N 1 2 401.533 -0.117 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000468884388 1072099065 /nfs/dbraw/zinc/09/90/65/1072099065.db2.gz JARPSCNGHAEHBQ-JSGCOSHPSA-N 1 2 401.533 -0.117 20 0 HBADLO 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NC(=O)[C@H]1CCC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000468917900 1072100354 /nfs/dbraw/zinc/10/03/54/1072100354.db2.gz IGHHLHJSXYRDOG-HOTGVXAUSA-N 1 2 423.539 -0.059 20 0 HBADLO NC(=O)[C@@H]1CCC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000468918150 1072100310 /nfs/dbraw/zinc/10/03/10/1072100310.db2.gz IGHHLHJSXYRDOG-HZPDHXFCSA-N 1 2 423.539 -0.059 20 0 HBADLO NC(=O)[C@H]1CCC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000468918276 1072100339 /nfs/dbraw/zinc/10/03/39/1072100339.db2.gz IGHHLHJSXYRDOG-JKSUJKDBSA-N 1 2 423.539 -0.059 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCOC[C@H]2C)s1 ZINC000468929504 1069232382 /nfs/dbraw/zinc/23/23/82/1069232382.db2.gz KSGKEUYEJFUEMA-GFCCVEGCSA-N 1 2 418.541 -0.501 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@H+]2CCOC[C@H]2C)s1 ZINC000468929504 1069232371 /nfs/dbraw/zinc/23/23/71/1069232371.db2.gz KSGKEUYEJFUEMA-GFCCVEGCSA-N 1 2 418.541 -0.501 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@@H+]2CCOC[C@@H]2C)s1 ZINC000468930174 1072101640 /nfs/dbraw/zinc/10/16/40/1072101640.db2.gz KSGKEUYEJFUEMA-LBPRGKRZSA-N 1 2 418.541 -0.501 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC[N@H+]2CCOC[C@@H]2C)s1 ZINC000468930174 1072101635 /nfs/dbraw/zinc/10/16/35/1072101635.db2.gz KSGKEUYEJFUEMA-LBPRGKRZSA-N 1 2 418.541 -0.501 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469019802 1072105629 /nfs/dbraw/zinc/10/56/29/1072105629.db2.gz QVWGCUGNOSRREP-KBPBESRZSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469019802 1072105626 /nfs/dbraw/zinc/10/56/26/1072105626.db2.gz QVWGCUGNOSRREP-KBPBESRZSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469020243 1072105582 /nfs/dbraw/zinc/10/55/82/1072105582.db2.gz QVWGCUGNOSRREP-ZIAGYGMSSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000469020243 1072105577 /nfs/dbraw/zinc/10/55/77/1072105577.db2.gz QVWGCUGNOSRREP-ZIAGYGMSSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044381 1072107150 /nfs/dbraw/zinc/10/71/50/1072107150.db2.gz SQRNDDZYNDGXPY-BBRMVZONSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044381 1072107148 /nfs/dbraw/zinc/10/71/48/1072107148.db2.gz SQRNDDZYNDGXPY-BBRMVZONSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044529 1072107541 /nfs/dbraw/zinc/10/75/41/1072107541.db2.gz SQRNDDZYNDGXPY-CJNGLKHVSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044529 1072107539 /nfs/dbraw/zinc/10/75/39/1072107539.db2.gz SQRNDDZYNDGXPY-CJNGLKHVSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044662 1072107190 /nfs/dbraw/zinc/10/71/90/1072107190.db2.gz SQRNDDZYNDGXPY-CZUORRHYSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044662 1072107189 /nfs/dbraw/zinc/10/71/89/1072107189.db2.gz SQRNDDZYNDGXPY-CZUORRHYSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044768 1072107200 /nfs/dbraw/zinc/10/72/00/1072107200.db2.gz SQRNDDZYNDGXPY-XJKSGUPXSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O ZINC000469044768 1072107199 /nfs/dbraw/zinc/10/71/99/1072107199.db2.gz SQRNDDZYNDGXPY-XJKSGUPXSA-N 1 2 402.451 -0.246 20 0 HBADLO CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 ZINC000469053968 1072107566 /nfs/dbraw/zinc/10/75/66/1072107566.db2.gz QIGRQFUDGUPYDH-AWEZNQCLSA-N 1 2 424.523 -0.086 20 0 HBADLO CC1(C)C[N@H+](CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 ZINC000469053968 1072107563 /nfs/dbraw/zinc/10/75/63/1072107563.db2.gz QIGRQFUDGUPYDH-AWEZNQCLSA-N 1 2 424.523 -0.086 20 0 HBADLO CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 ZINC000469054111 1072107604 /nfs/dbraw/zinc/10/76/04/1072107604.db2.gz QIGRQFUDGUPYDH-CQSZACIVSA-N 1 2 424.523 -0.086 20 0 HBADLO CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCO1 ZINC000469054111 1072107600 /nfs/dbraw/zinc/10/76/00/1072107600.db2.gz QIGRQFUDGUPYDH-CQSZACIVSA-N 1 2 424.523 -0.086 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000469101528 1072110104 /nfs/dbraw/zinc/11/01/04/1072110104.db2.gz QGEBHKFOKKOKKO-AWEZNQCLSA-N 1 2 400.501 -0.172 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000469101758 1072110112 /nfs/dbraw/zinc/11/01/12/1072110112.db2.gz QGEBHKFOKKOKKO-CQSZACIVSA-N 1 2 400.501 -0.172 20 0 HBADLO Cc1noc(Cn2cc(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)ccc2=O)n1 ZINC000469169822 1068660243 /nfs/dbraw/zinc/66/02/43/1068660243.db2.gz ZVCCWPCWBVXBTM-UHFFFAOYSA-N 1 2 424.465 -0.070 20 0 HBADLO O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000469195735 1072113503 /nfs/dbraw/zinc/11/35/03/1072113503.db2.gz RTLILDXUYVOMKI-KRWDZBQOSA-N 1 2 403.483 -0.419 20 0 HBADLO O=C(c1cc(N2CCNC(=O)C2)ccn1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000469196081 1072113511 /nfs/dbraw/zinc/11/35/11/1072113511.db2.gz RTLILDXUYVOMKI-QGZVFWFLSA-N 1 2 403.483 -0.419 20 0 HBADLO C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000469221955 1072114659 /nfs/dbraw/zinc/11/46/59/1072114659.db2.gz RDRKNCSDIDHPAS-KKUMJFAQSA-N 1 2 424.523 -0.088 20 0 HBADLO C[C@H]([C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[NH+]1CCOCC1 ZINC000469222034 1072114703 /nfs/dbraw/zinc/11/47/03/1072114703.db2.gz RDRKNCSDIDHPAS-RRFJBIMHSA-N 1 2 424.523 -0.088 20 0 HBADLO 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ZDEOTTTUHZCFTP-COXVUDFISA-N 1 2 410.540 -0.060 20 0 HBADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC1)C2 ZINC000471332572 1068319267 /nfs/dbraw/zinc/31/92/67/1068319267.db2.gz ZDEOTTTUHZCFTP-COXVUDFISA-N 1 2 410.540 -0.060 20 0 HBADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC1)CC2 ZINC000471332573 1068319617 /nfs/dbraw/zinc/31/96/17/1068319617.db2.gz ZDEOTTTUHZCFTP-KBRIMQKVSA-N 1 2 410.540 -0.060 20 0 HBADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC1)C2 ZINC000471332573 1068319600 /nfs/dbraw/zinc/31/96/00/1068319600.db2.gz ZDEOTTTUHZCFTP-KBRIMQKVSA-N 1 2 410.540 -0.060 20 0 HBADLO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC1)CC2 ZINC000471332574 1068319530 /nfs/dbraw/zinc/31/95/30/1068319530.db2.gz ZDEOTTTUHZCFTP-XOKHGSTOSA-N 1 2 410.540 -0.060 20 0 HBADLO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC1)C2 ZINC000471332574 1068319516 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Cc1cccc(=O)n1C[C@@](C)(O)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000471799790 1068540956 /nfs/dbraw/zinc/54/09/56/1068540956.db2.gz RUTYNVMBALEAOM-HXUWFJFHSA-N 1 2 400.483 -0.364 20 0 HBADLO COc1ccsc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000471801864 1068540680 /nfs/dbraw/zinc/54/06/80/1068540680.db2.gz YFAGZBMWCGGPQP-UHFFFAOYSA-N 1 2 424.570 -0.445 20 0 HBADLO Cn1cc([C@H]2[C@H](C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)OCC(=O)N2C)cn1 ZINC000471872569 1068556278 /nfs/dbraw/zinc/55/62/78/1068556278.db2.gz VOZMGZQBHZLNKW-SCTDSRPQSA-N 1 2 423.539 -0.358 20 0 HBADLO Cn1cc([C@H]2[C@H](C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)OCC(=O)N2C)cn1 ZINC000471872570 1068556265 /nfs/dbraw/zinc/55/62/65/1068556265.db2.gz VOZMGZQBHZLNKW-YQVWRLOYSA-N 1 2 423.539 -0.358 20 0 HBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000471877919 1068559249 /nfs/dbraw/zinc/55/92/49/1068559249.db2.gz PMIMFOUQTXQEKG-UHFFFAOYSA-N 1 2 418.541 -0.621 20 0 HBADLO 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C[C@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475069581 1071246929 /nfs/dbraw/zinc/24/69/29/1071246929.db2.gz NYBCFVJMGKFHFS-WMLDXEAASA-N 1 2 403.483 -0.255 20 0 HBADLO C[C@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475069587 1071246741 /nfs/dbraw/zinc/24/67/41/1071246741.db2.gz NYBCFVJMGKFHFS-YOEHRIQHSA-N 1 2 403.483 -0.255 20 0 HBADLO C[C@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475069587 1071246732 /nfs/dbraw/zinc/24/67/32/1071246732.db2.gz NYBCFVJMGKFHFS-YOEHRIQHSA-N 1 2 403.483 -0.255 20 0 HBADLO C[C@@H](NC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475074994 1071247405 /nfs/dbraw/zinc/24/74/05/1071247405.db2.gz NYBCFVJMGKFHFS-PBHICJAKSA-N 1 2 403.483 -0.255 20 0 HBADLO C[C@@H](NC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475074994 1071247398 /nfs/dbraw/zinc/24/73/98/1071247398.db2.gz NYBCFVJMGKFHFS-PBHICJAKSA-N 1 2 403.483 -0.255 20 0 HBADLO C[C@@H](NC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475074995 1071247599 /nfs/dbraw/zinc/24/75/99/1071247599.db2.gz NYBCFVJMGKFHFS-RHSMWYFYSA-N 1 2 403.483 -0.255 20 0 HBADLO C[C@@H](NC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1)C(=O)N1Cc2ccccc2C1 ZINC000475074995 1071247586 /nfs/dbraw/zinc/24/75/86/1071247586.db2.gz NYBCFVJMGKFHFS-RHSMWYFYSA-N 1 2 403.483 -0.255 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CCN(C2CCOCC2)C1=O ZINC000475105600 1071250850 /nfs/dbraw/zinc/25/08/50/1071250850.db2.gz CLVWHBOMMVQICS-KRWDZBQOSA-N 1 2 417.514 -0.322 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CCN(C2CCOCC2)C1=O ZINC000475105601 1071250727 /nfs/dbraw/zinc/25/07/27/1071250727.db2.gz CLVWHBOMMVQICS-QGZVFWFLSA-N 1 2 417.514 -0.322 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[S@@](=O)C1 ZINC000475128415 1071251963 /nfs/dbraw/zinc/25/19/63/1071251963.db2.gz GLFKPQGCFBQFKX-IYJVBRSBSA-N 1 2 415.541 -0.646 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC[S@](=O)C1 ZINC000475128416 1071252042 /nfs/dbraw/zinc/25/20/42/1071252042.db2.gz GLFKPQGCFBQFKX-PTFIGZPYSA-N 1 2 415.541 -0.646 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[S@@](=O)C1 ZINC000475128417 1071252297 /nfs/dbraw/zinc/25/22/97/1071252297.db2.gz GLFKPQGCFBQFKX-RMKBEBRYSA-N 1 2 415.541 -0.646 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC[S@](=O)C1 ZINC000475128418 1071252015 /nfs/dbraw/zinc/25/20/15/1071252015.db2.gz GLFKPQGCFBQFKX-RXBISOJRSA-N 1 2 415.541 -0.646 20 0 HBADLO COc1ncc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1C(N)=O ZINC000475176890 1071256685 /nfs/dbraw/zinc/25/66/85/1071256685.db2.gz WAYWUYAYHNLFLF-AWEZNQCLSA-N 1 2 407.471 -0.009 20 0 HBADLO COc1ncc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1C(N)=O ZINC000475176894 1071256803 /nfs/dbraw/zinc/25/68/03/1071256803.db2.gz WAYWUYAYHNLFLF-CQSZACIVSA-N 1 2 407.471 -0.009 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000475177673 1071259707 /nfs/dbraw/zinc/25/97/07/1071259707.db2.gz OZWZGNRTABATEK-IBGZPJMESA-N 1 2 423.514 -0.728 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000475177673 1071259705 /nfs/dbraw/zinc/25/97/05/1071259705.db2.gz OZWZGNRTABATEK-IBGZPJMESA-N 1 2 423.514 -0.728 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000475177674 1071259733 /nfs/dbraw/zinc/25/97/33/1071259733.db2.gz OZWZGNRTABATEK-LJQANCHMSA-N 1 2 423.514 -0.728 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000475177674 1071259727 /nfs/dbraw/zinc/25/97/27/1071259727.db2.gz OZWZGNRTABATEK-LJQANCHMSA-N 1 2 423.514 -0.728 20 0 HBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000475189974 1071261113 /nfs/dbraw/zinc/26/11/13/1071261113.db2.gz DBVXJIVBQNEJMB-UHFFFAOYSA-N 1 2 415.454 -0.672 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475197471 1071262849 /nfs/dbraw/zinc/26/28/49/1071262849.db2.gz YBLBRIYEAUKHNH-ILXRZTDVSA-N 1 2 417.470 -0.141 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475197472 1071262889 /nfs/dbraw/zinc/26/28/89/1071262889.db2.gz YBLBRIYEAUKHNH-KFWWJZLASA-N 1 2 417.470 -0.141 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475197473 1071262573 /nfs/dbraw/zinc/26/25/73/1071262573.db2.gz YBLBRIYEAUKHNH-RBSFLKMASA-N 1 2 417.470 -0.141 20 0 HBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475197474 1071262688 /nfs/dbraw/zinc/26/26/88/1071262688.db2.gz YBLBRIYEAUKHNH-SOUVJXGZSA-N 1 2 417.470 -0.141 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)NCCCNc2cccc[nH+]2)cn1)N1CCOCC1 ZINC000475215506 1071264141 /nfs/dbraw/zinc/26/41/41/1071264141.db2.gz ZUUIVOLFSJCPRN-UHFFFAOYSA-N 1 2 415.454 -0.306 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cn2)C[C@H](C)O1 ZINC000475228980 1071264812 /nfs/dbraw/zinc/26/48/12/1071264812.db2.gz FZRDFDLQYMHFRU-GASCZTMLSA-N 1 2 418.498 -0.236 20 0 HBADLO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cn2)C[C@H](C)O1 ZINC000475228983 1071264779 /nfs/dbraw/zinc/26/47/79/1071264779.db2.gz FZRDFDLQYMHFRU-GJZGRUSLSA-N 1 2 418.498 -0.236 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)N3CC[NH+](C4CC4)CC3)cn2)C[C@@H](C)O1 ZINC000475228985 1071264848 /nfs/dbraw/zinc/26/48/48/1071264848.db2.gz FZRDFDLQYMHFRU-HUUCEWRRSA-N 1 2 418.498 -0.236 20 0 HBADLO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000475237039 1071266713 /nfs/dbraw/zinc/26/67/13/1071266713.db2.gz RUEZXDUUCWETGB-CABCVRRESA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000475237051 1071266628 /nfs/dbraw/zinc/26/66/28/1071266628.db2.gz RUEZXDUUCWETGB-GJZGRUSLSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000475237054 1069587760 /nfs/dbraw/zinc/58/77/60/1069587760.db2.gz RUEZXDUUCWETGB-HUUCEWRRSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@@H]1C ZINC000475237056 1069588063 /nfs/dbraw/zinc/58/80/63/1069588063.db2.gz RUEZXDUUCWETGB-LSDHHAIUSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000475241898 1071266208 /nfs/dbraw/zinc/26/62/08/1071266208.db2.gz OTFFAZKPIHGBBE-GDBMZVCRSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000475241899 1071266132 /nfs/dbraw/zinc/26/61/32/1071266132.db2.gz OTFFAZKPIHGBBE-GOEBONIOSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000475241900 1071266039 /nfs/dbraw/zinc/26/60/39/1071266039.db2.gz OTFFAZKPIHGBBE-HOCLYGCPSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000475241901 1071266228 /nfs/dbraw/zinc/26/62/28/1071266228.db2.gz OTFFAZKPIHGBBE-ZBFHGGJFSA-N 1 2 407.471 -0.189 20 0 HBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H]1CO ZINC000475258076 1071268872 /nfs/dbraw/zinc/26/88/72/1071268872.db2.gz UTEMBHPBNGNXRQ-RWMBFGLXSA-N 1 2 401.485 -0.300 20 0 HBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000475258076 1071268858 /nfs/dbraw/zinc/26/88/58/1071268858.db2.gz UTEMBHPBNGNXRQ-RWMBFGLXSA-N 1 2 401.485 -0.300 20 0 HBADLO COc1nn(C)cc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000475287806 1071273473 /nfs/dbraw/zinc/27/34/73/1071273473.db2.gz WLOOJQJNAPBNNG-UHFFFAOYSA-N 1 2 415.454 -0.383 20 0 HBADLO CCn1ncnc1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000475310363 1071274229 /nfs/dbraw/zinc/27/42/29/1071274229.db2.gz OMRATMXVKDJBHY-UHFFFAOYSA-N 1 2 401.475 -0.044 20 0 HBADLO CCn1ncnc1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000475310363 1071274223 /nfs/dbraw/zinc/27/42/23/1071274223.db2.gz OMRATMXVKDJBHY-UHFFFAOYSA-N 1 2 401.475 -0.044 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cn2)C[C@H](C)O1 ZINC000475367686 1071276464 /nfs/dbraw/zinc/27/64/64/1071276464.db2.gz KTVNFUBBNXSRGA-GASCZTMLSA-N 1 2 417.470 -0.140 20 0 HBADLO C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cn2)C[C@H](C)O1 ZINC000475367688 1071276335 /nfs/dbraw/zinc/27/63/35/1071276335.db2.gz KTVNFUBBNXSRGA-GJZGRUSLSA-N 1 2 417.470 -0.140 20 0 HBADLO C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cn2)C[C@@H](C)O1 ZINC000475367691 1071276417 /nfs/dbraw/zinc/27/64/17/1071276417.db2.gz KTVNFUBBNXSRGA-HUUCEWRRSA-N 1 2 417.470 -0.140 20 0 HBADLO CCO[C@@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000475374619 1071276190 /nfs/dbraw/zinc/27/61/90/1071276190.db2.gz FXNLCBSQQIMRMB-FOIQADDNSA-N 1 2 423.514 -0.164 20 0 HBADLO CCO[C@H]1C[C@@](O)(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1(C)C ZINC000475374620 1071276310 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CN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C[C@H](O)C[NH+]1CCOCC1 ZINC000476580246 1069452507 /nfs/dbraw/zinc/45/25/07/1069452507.db2.gz YJXJBUIJAVPQCH-IBGZPJMESA-N 1 2 404.511 -0.180 20 0 HBADLO CN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000476580252 1069452427 /nfs/dbraw/zinc/45/24/27/1069452427.db2.gz YJXJBUIJAVPQCH-LJQANCHMSA-N 1 2 404.511 -0.180 20 0 HBADLO CCOC(=O)C1(O)CC[NH+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC1 ZINC000476589101 1069455211 /nfs/dbraw/zinc/45/52/11/1069455211.db2.gz RXUCRJWRPPZLBZ-UHFFFAOYSA-N 1 2 407.533 -0.447 20 0 HBADLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476723119 1069481337 /nfs/dbraw/zinc/48/13/37/1069481337.db2.gz IMSDBJWNJQPIQD-KBPBESRZSA-N 1 2 411.528 -0.796 20 0 HBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476723120 1069481494 /nfs/dbraw/zinc/48/14/94/1069481494.db2.gz IMSDBJWNJQPIQD-KGLIPLIRSA-N 1 2 411.528 -0.796 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000476723121 1069481376 /nfs/dbraw/zinc/48/13/76/1069481376.db2.gz IMSDBJWNJQPIQD-UONOGXRCSA-N 1 2 411.528 -0.796 20 0 HBADLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000476723122 1069481303 /nfs/dbraw/zinc/48/13/03/1069481303.db2.gz IMSDBJWNJQPIQD-ZIAGYGMSSA-N 1 2 411.528 -0.796 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000476740174 1069483571 /nfs/dbraw/zinc/48/35/71/1069483571.db2.gz CADWHQLAZPLCGQ-GDBMZVCRSA-N 1 2 424.523 -0.225 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000476740176 1069483639 /nfs/dbraw/zinc/48/36/39/1069483639.db2.gz CADWHQLAZPLCGQ-GOEBONIOSA-N 1 2 424.523 -0.225 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000476740178 1069483663 /nfs/dbraw/zinc/48/36/63/1069483663.db2.gz CADWHQLAZPLCGQ-HOCLYGCPSA-N 1 2 424.523 -0.225 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000476740182 1069483679 /nfs/dbraw/zinc/48/36/79/1069483679.db2.gz CADWHQLAZPLCGQ-ZBFHGGJFSA-N 1 2 424.523 -0.225 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000476768635 1069489210 /nfs/dbraw/zinc/48/92/10/1069489210.db2.gz WGMARKKULQBLLJ-CYBMUJFWSA-N 1 2 412.512 -0.321 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000476768635 1069489202 /nfs/dbraw/zinc/48/92/02/1069489202.db2.gz WGMARKKULQBLLJ-CYBMUJFWSA-N 1 2 412.512 -0.321 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000476768638 1069489270 /nfs/dbraw/zinc/48/92/70/1069489270.db2.gz WGMARKKULQBLLJ-ZDUSSCGKSA-N 1 2 412.512 -0.321 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000476768638 1069489268 /nfs/dbraw/zinc/48/92/68/1069489268.db2.gz WGMARKKULQBLLJ-ZDUSSCGKSA-N 1 2 412.512 -0.321 20 0 HBADLO CCN(C)C(=O)CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000476886370 1069507923 /nfs/dbraw/zinc/50/79/23/1069507923.db2.gz QVVDYZVZKFIKMK-UHFFFAOYSA-N 1 2 412.516 -0.689 20 0 HBADLO COC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000476891517 1069507822 /nfs/dbraw/zinc/50/78/22/1069507822.db2.gz IJXLQMIYUSMMDW-UHFFFAOYSA-N 1 2 403.483 -0.172 20 0 HBADLO CC1(C)C[N@@H+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000476987062 1069525670 /nfs/dbraw/zinc/52/56/70/1069525670.db2.gz VSBLQXPYQDSGDN-HNNXBMFYSA-N 1 2 406.549 -0.115 20 0 HBADLO CC1(C)C[N@H+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000476987062 1069525667 /nfs/dbraw/zinc/52/56/67/1069525667.db2.gz VSBLQXPYQDSGDN-HNNXBMFYSA-N 1 2 406.549 -0.115 20 0 HBADLO CC1(C)C[N@@H+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 ZINC000476987063 1069526153 /nfs/dbraw/zinc/52/61/53/1069526153.db2.gz VSBLQXPYQDSGDN-OAHLLOKOSA-N 1 2 406.549 -0.115 20 0 HBADLO CC1(C)C[N@H+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 ZINC000476987063 1069526150 /nfs/dbraw/zinc/52/61/50/1069526150.db2.gz VSBLQXPYQDSGDN-OAHLLOKOSA-N 1 2 406.549 -0.115 20 0 HBADLO COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000476987626 1069523910 /nfs/dbraw/zinc/52/39/10/1069523910.db2.gz UFKCXWRXSBDEJB-UHFFFAOYSA-N 1 2 410.496 -0.358 20 0 HBADLO C[C@H]([C@H](C)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)[NH+]1CCOCC1 ZINC000476995114 1069524465 /nfs/dbraw/zinc/52/44/65/1069524465.db2.gz ZTFFEGCVFGBGPU-ARFHVFGLSA-N 1 2 406.549 -0.117 20 0 HBADLO C[C@H](NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000476995116 1069524602 /nfs/dbraw/zinc/52/46/02/1069524602.db2.gz ZTFFEGCVFGBGPU-HRCADAONSA-N 1 2 406.549 -0.117 20 0 HBADLO C[C@H](NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)[C@H](C)[NH+]1CCOCC1 ZINC000476995120 1069524536 /nfs/dbraw/zinc/52/45/36/1069524536.db2.gz ZTFFEGCVFGBGPU-JYJNAYRXSA-N 1 2 406.549 -0.117 20 0 HBADLO C[C@H]([C@H](C)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1)[NH+]1CCOCC1 ZINC000476995123 1069524584 /nfs/dbraw/zinc/52/45/84/1069524584.db2.gz ZTFFEGCVFGBGPU-XHSDSOJGSA-N 1 2 406.549 -0.117 20 0 HBADLO C[C@@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C[NH+]1CCOCC1 ZINC000477019830 1069529918 /nfs/dbraw/zinc/52/99/18/1069529918.db2.gz OBSKPVYICBQDDV-HNNXBMFYSA-N 1 2 405.542 -0.147 20 0 HBADLO C[C@H](CNS(=O)(=O)CCNS(=O)(=O)c1ccccc1)C[NH+]1CCOCC1 ZINC000477019832 1069530237 /nfs/dbraw/zinc/53/02/37/1069530237.db2.gz OBSKPVYICBQDDV-OAHLLOKOSA-N 1 2 405.542 -0.147 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000477020291 1069529869 /nfs/dbraw/zinc/52/98/69/1069529869.db2.gz JGHWQKGFPJDOHD-INIZCTEOSA-N 1 2 417.553 -0.051 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)c1ccccc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000477020294 1069530194 /nfs/dbraw/zinc/53/01/94/1069530194.db2.gz JGHWQKGFPJDOHD-MRXNPFEDSA-N 1 2 417.553 -0.051 20 0 HBADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477021110 1069530227 /nfs/dbraw/zinc/53/02/27/1069530227.db2.gz OBOPDTSUAOLIAF-HNNXBMFYSA-N 1 2 406.549 -0.115 20 0 HBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477021110 1069530223 /nfs/dbraw/zinc/53/02/23/1069530223.db2.gz OBOPDTSUAOLIAF-HNNXBMFYSA-N 1 2 406.549 -0.115 20 0 HBADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477021111 1069530023 /nfs/dbraw/zinc/53/00/23/1069530023.db2.gz OBOPDTSUAOLIAF-OAHLLOKOSA-N 1 2 406.549 -0.115 20 0 HBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477021111 1069530014 /nfs/dbraw/zinc/53/00/14/1069530014.db2.gz OBOPDTSUAOLIAF-OAHLLOKOSA-N 1 2 406.549 -0.115 20 0 HBADLO COc1ccc(OC)c(NC(=O)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000477032871 1069532088 /nfs/dbraw/zinc/53/20/88/1069532088.db2.gz SYLWEDMCQBVMNC-AWEZNQCLSA-N 1 2 420.466 -0.308 20 0 HBADLO COc1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000477032875 1069532047 /nfs/dbraw/zinc/53/20/47/1069532047.db2.gz SYLWEDMCQBVMNC-CQSZACIVSA-N 1 2 420.466 -0.308 20 0 HBADLO CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(C)C ZINC000477058449 1069533131 /nfs/dbraw/zinc/53/31/31/1069533131.db2.gz ACMLXNNEWMDORV-INIZCTEOSA-N 1 2 418.498 -0.315 20 0 HBADLO O=C(CCNC(=O)C(=O)NC[C@@H]1CCCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000477087401 1069535827 /nfs/dbraw/zinc/53/58/27/1069535827.db2.gz XCFHQRJQCJEDPD-INIZCTEOSA-N 1 2 403.483 -0.078 20 0 HBADLO O=C(CCNC(=O)C(=O)NC[C@H]1CCCCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000477087403 1069535688 /nfs/dbraw/zinc/53/56/88/1069535688.db2.gz XCFHQRJQCJEDPD-MRXNPFEDSA-N 1 2 403.483 -0.078 20 0 HBADLO O=C(NC[C@@H]1CCCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000477106097 1069536703 /nfs/dbraw/zinc/53/67/03/1069536703.db2.gz ISDDZZYKDLIKJG-INIZCTEOSA-N 1 2 418.498 -0.353 20 0 HBADLO O=C(NC[C@@H]1CCCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000477106097 1069536693 /nfs/dbraw/zinc/53/66/93/1069536693.db2.gz ISDDZZYKDLIKJG-INIZCTEOSA-N 1 2 418.498 -0.353 20 0 HBADLO O=C(NC[C@H]1CCCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000477106100 1069536803 /nfs/dbraw/zinc/53/68/03/1069536803.db2.gz ISDDZZYKDLIKJG-MRXNPFEDSA-N 1 2 418.498 -0.353 20 0 HBADLO O=C(NC[C@H]1CCCCO1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000477106100 1069536799 /nfs/dbraw/zinc/53/67/99/1069536799.db2.gz ISDDZZYKDLIKJG-MRXNPFEDSA-N 1 2 418.498 -0.353 20 0 HBADLO CC(C)[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000477124756 1069538785 /nfs/dbraw/zinc/53/87/85/1069538785.db2.gz FIOPBLNEXMXKKN-KRWDZBQOSA-N 1 2 424.633 -0.151 20 0 HBADLO CC(C)[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[NH+]1CCN(C)CC1 ZINC000477124757 1069539184 /nfs/dbraw/zinc/53/91/84/1069539184.db2.gz FIOPBLNEXMXKKN-QGZVFWFLSA-N 1 2 424.633 -0.151 20 0 HBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000477137500 1069539228 /nfs/dbraw/zinc/53/92/28/1069539228.db2.gz NDVGWWZAUYCSJT-INIZCTEOSA-N 1 2 409.574 -0.358 20 0 HBADLO CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000477137503 1069539247 /nfs/dbraw/zinc/53/92/47/1069539247.db2.gz NDVGWWZAUYCSJT-MRXNPFEDSA-N 1 2 409.574 -0.358 20 0 HBADLO CC(C)[C@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000477143666 1069540635 /nfs/dbraw/zinc/54/06/35/1069540635.db2.gz ZTKKJRMFAIKCPM-INIZCTEOSA-N 1 2 411.590 -0.066 20 0 HBADLO CC(C)[C@@H](CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC000477143667 1069540707 /nfs/dbraw/zinc/54/07/07/1069540707.db2.gz ZTKKJRMFAIKCPM-MRXNPFEDSA-N 1 2 411.590 -0.066 20 0 HBADLO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000477167223 1069542190 /nfs/dbraw/zinc/54/21/90/1069542190.db2.gz SIWIWPROANPKAW-UHFFFAOYSA-N 1 2 422.504 -0.408 20 0 HBADLO C[NH+]1CCN(C(=O)CCNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000477198456 1069545567 /nfs/dbraw/zinc/54/55/67/1069545567.db2.gz YSYGPBDZRHFFOL-UHFFFAOYSA-N 1 2 422.504 -0.360 20 0 HBADLO CCN(C(=O)[C@@H](C)CN1CCOCC1)C1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000477221138 1069548397 /nfs/dbraw/zinc/54/83/97/1069548397.db2.gz ZJLCNEILJUGDKE-MSOLQXFVSA-N 1 2 410.559 -0.018 20 0 HBADLO CCN(C(=O)[C@H](C)CN1CCOCC1)C1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000477221139 1069548335 /nfs/dbraw/zinc/54/83/35/1069548335.db2.gz ZJLCNEILJUGDKE-QZTJIDSGSA-N 1 2 410.559 -0.018 20 0 HBADLO CCN(C(=O)[C@@H](C)CN1CCOCC1)C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000477221141 1069548441 /nfs/dbraw/zinc/54/84/41/1069548441.db2.gz ZJLCNEILJUGDKE-ROUUACIJSA-N 1 2 410.559 -0.018 20 0 HBADLO CCN(C(=O)[C@H](C)CN1CCOCC1)C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000477221143 1069548317 /nfs/dbraw/zinc/54/83/17/1069548317.db2.gz ZJLCNEILJUGDKE-ZWKOTPCHSA-N 1 2 410.559 -0.018 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)c2ccccc2C1 ZINC000477234257 1069549393 /nfs/dbraw/zinc/54/93/93/1069549393.db2.gz YLLSPVIHBOZLSU-KRWDZBQOSA-N 1 2 421.519 -0.017 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCS(=O)(=O)c2ccccc2C1 ZINC000477234259 1069549340 /nfs/dbraw/zinc/54/93/40/1069549340.db2.gz YLLSPVIHBOZLSU-QGZVFWFLSA-N 1 2 421.519 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/nfs/dbraw/zinc/83/92/70/1069839270.db2.gz IPHGFPMMMBMPBR-OAHLLOKOSA-N 1 2 415.512 -0.289 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000478457163 1069839219 /nfs/dbraw/zinc/83/92/19/1069839219.db2.gz JARWONBVJKPJPR-AWEZNQCLSA-N 1 2 402.451 -0.591 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000478457171 1069838903 /nfs/dbraw/zinc/83/89/03/1069838903.db2.gz JARWONBVJKPJPR-CQSZACIVSA-N 1 2 402.451 -0.591 20 0 HBADLO CCNc1nc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000478466624 1069621715 /nfs/dbraw/zinc/62/17/15/1069621715.db2.gz ZQOALQSXAALJFZ-UHFFFAOYSA-N 1 2 402.546 -0.175 20 0 HBADLO CCNc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000478466998 1069620758 /nfs/dbraw/zinc/62/07/58/1069620758.db2.gz KBGBGFREBGUCAN-UHFFFAOYSA-N 1 2 402.546 -0.175 20 0 HBADLO COCCS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000478478492 1069842716 /nfs/dbraw/zinc/84/27/16/1069842716.db2.gz VSUABNGKAXRNMY-INIZCTEOSA-N 1 2 400.497 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ZINC000478528053 1069849979 /nfs/dbraw/zinc/84/99/79/1069849979.db2.gz IEBVUABHJWUAIB-AWEZNQCLSA-N 1 2 401.485 -0.632 20 0 HBADLO CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1OC ZINC000478528058 1069850181 /nfs/dbraw/zinc/85/01/81/1069850181.db2.gz IEBVUABHJWUAIB-CQSZACIVSA-N 1 2 401.485 -0.632 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000478530465 1069849804 /nfs/dbraw/zinc/84/98/04/1069849804.db2.gz QZJVVBNXJHOWQJ-HNNXBMFYSA-N 1 2 403.476 -0.354 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 ZINC000478530466 1069849620 /nfs/dbraw/zinc/84/96/20/1069849620.db2.gz QZJVVBNXJHOWQJ-OAHLLOKOSA-N 1 2 403.476 -0.354 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000478532099 1069851264 /nfs/dbraw/zinc/85/12/64/1069851264.db2.gz YEIWOBFIYDLHJX-LLVKDONJSA-N 1 2 404.261 -0.077 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000478532100 1069851165 /nfs/dbraw/zinc/85/11/65/1069851165.db2.gz YEIWOBFIYDLHJX-NSHDSACASA-N 1 2 404.261 -0.077 20 0 HBADLO O=C(Cn1ccccc1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000478567290 1069853127 /nfs/dbraw/zinc/85/31/27/1069853127.db2.gz SQUGLAIVPWGWNW-UHFFFAOYSA-N 1 2 405.480 -0.489 20 0 HBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3CC[NH+](CCO)CC3)c2)CC1 ZINC000478578997 1069859256 /nfs/dbraw/zinc/85/92/56/1069859256.db2.gz FROHODNRLAFBHP-UHFFFAOYSA-N 1 2 411.528 -0.236 20 0 HBADLO Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)[nH]c(=O)n1 ZINC000478585517 1069860964 /nfs/dbraw/zinc/86/09/64/1069860964.db2.gz BUQCTCZNYRAKMA-UHFFFAOYSA-N 1 2 406.468 -0.233 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000478618537 1069863488 /nfs/dbraw/zinc/86/34/88/1069863488.db2.gz YGBADCZIVGKMAJ-AWEZNQCLSA-N 1 2 416.525 -0.916 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000478618538 1069863375 /nfs/dbraw/zinc/86/33/75/1069863375.db2.gz YGBADCZIVGKMAJ-CQSZACIVSA-N 1 2 416.525 -0.916 20 0 HBADLO 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ZINC000478744463 1069891112 /nfs/dbraw/zinc/89/11/12/1069891112.db2.gz IXGDJJYKKAWTKS-AWEZNQCLSA-N 1 2 420.466 -0.737 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000478744463 1069891101 /nfs/dbraw/zinc/89/11/01/1069891101.db2.gz IXGDJJYKKAWTKS-AWEZNQCLSA-N 1 2 420.466 -0.737 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000478744469 1069891149 /nfs/dbraw/zinc/89/11/49/1069891149.db2.gz IXGDJJYKKAWTKS-CQSZACIVSA-N 1 2 420.466 -0.737 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)[C@H](C)C1 ZINC000478744469 1069891139 /nfs/dbraw/zinc/89/11/39/1069891139.db2.gz IXGDJJYKKAWTKS-CQSZACIVSA-N 1 2 420.466 -0.737 20 0 HBADLO NC(=O)COc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000478750813 1069892271 /nfs/dbraw/zinc/89/22/71/1069892271.db2.gz OMYDRHRCMFAIGL-KRWDZBQOSA-N 1 2 418.494 -0.120 20 0 HBADLO NC(=O)COc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000478750814 1069892231 /nfs/dbraw/zinc/89/22/31/1069892231.db2.gz OMYDRHRCMFAIGL-QGZVFWFLSA-N 1 2 418.494 -0.120 20 0 HBADLO Cc1nc(N2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)CC2)cc[nH+]1 ZINC000478772245 1069894813 /nfs/dbraw/zinc/89/48/13/1069894813.db2.gz MXOKQKXDRAEMJE-UHFFFAOYSA-N 1 2 412.450 -0.386 20 0 HBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1CO ZINC000478774571 1069895676 /nfs/dbraw/zinc/89/56/76/1069895676.db2.gz SOSVVDOJUZQSEH-CVEARBPZSA-N 1 2 411.528 -0.197 20 0 HBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000478774743 1069894770 /nfs/dbraw/zinc/89/47/70/1069894770.db2.gz JTARGOKQCYJSCM-GASCZTMLSA-N 1 2 406.483 -0.266 20 0 HBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)C[C@H](C)O1 ZINC000478774743 1069894754 /nfs/dbraw/zinc/89/47/54/1069894754.db2.gz JTARGOKQCYJSCM-GASCZTMLSA-N 1 2 406.483 -0.266 20 0 HBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)NCc1cccc(OCC(N)=O)c1 ZINC000478775811 1069895190 /nfs/dbraw/zinc/89/51/90/1069895190.db2.gz 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ZINC000479025293 1069932719 /nfs/dbraw/zinc/93/27/19/1069932719.db2.gz PKXOLWKJMMTUME-JKSUJKDBSA-N 1 2 423.601 -0.003 20 0 HBADLO Cn1c(=O)c2cc(C(=O)N3CC[C@H](OCC[NH+]4CCOCC4)C3)cnc2n(C)c1=O ZINC000479030134 1069933538 /nfs/dbraw/zinc/93/35/38/1069933538.db2.gz XQBQPUNXUZUAFN-HNNXBMFYSA-N 1 2 417.466 -0.805 20 0 HBADLO Cn1c(=O)c2cc(C(=O)N3CC[C@@H](OCC[NH+]4CCOCC4)C3)cnc2n(C)c1=O ZINC000479030137 1069933603 /nfs/dbraw/zinc/93/36/03/1069933603.db2.gz XQBQPUNXUZUAFN-OAHLLOKOSA-N 1 2 417.466 -0.805 20 0 HBADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)CC1 ZINC000479079818 1069942774 /nfs/dbraw/zinc/94/27/74/1069942774.db2.gz QYJBFJSLFYTYTM-UHFFFAOYSA-N 1 2 421.567 -0.155 20 0 HBADLO CC[C@H](NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1)C(=O)N1CCOCC1 ZINC000479118334 1069947572 /nfs/dbraw/zinc/94/75/72/1069947572.db2.gz BJGODHCCPZOBPC-HNNXBMFYSA-N 1 2 408.524 -0.024 20 0 HBADLO CC[C@H](NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1)C(=O)N1CCOCC1 ZINC000479118334 1069947562 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CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000479328897 1069972229 /nfs/dbraw/zinc/97/22/29/1069972229.db2.gz ZGLICDLXOJHEBU-GJZGRUSLSA-N 1 2 406.487 -0.379 20 0 HBADLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000479328898 1069972096 /nfs/dbraw/zinc/97/20/96/1069972096.db2.gz ZGLICDLXOJHEBU-HUUCEWRRSA-N 1 2 406.487 -0.379 20 0 HBADLO COc1ccc(CCNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000479435732 1069981349 /nfs/dbraw/zinc/98/13/49/1069981349.db2.gz HRRBXRBFAXPIAK-INIZCTEOSA-N 1 2 409.483 -0.486 20 0 HBADLO COc1ccc(CCNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c(OC)c1 ZINC000479435733 1069981538 /nfs/dbraw/zinc/98/15/38/1069981538.db2.gz HRRBXRBFAXPIAK-MRXNPFEDSA-N 1 2 409.483 -0.486 20 0 HBADLO O=C(NCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479448322 1069985909 /nfs/dbraw/zinc/98/59/09/1069985909.db2.gz CELMEFAVXJQZEZ-HNNXBMFYSA-N 1 2 421.498 -0.852 20 0 HBADLO O=C(NCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479448324 1069986100 /nfs/dbraw/zinc/98/61/00/1069986100.db2.gz CELMEFAVXJQZEZ-OAHLLOKOSA-N 1 2 421.498 -0.852 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000479509872 1069990713 /nfs/dbraw/zinc/99/07/13/1069990713.db2.gz XAMLHPDSHWZBBR-HKUYNNGSSA-N 1 2 404.511 -0.077 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000479509875 1069990616 /nfs/dbraw/zinc/99/06/16/1069990616.db2.gz XAMLHPDSHWZBBR-IEBWSBKVSA-N 1 2 404.511 -0.077 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1 ZINC000479509877 1069990567 /nfs/dbraw/zinc/99/05/67/1069990567.db2.gz XAMLHPDSHWZBBR-MJGOQNOKSA-N 1 2 404.511 -0.077 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1 ZINC000479509879 1069990463 /nfs/dbraw/zinc/99/04/63/1069990463.db2.gz XAMLHPDSHWZBBR-PKOBYXMFSA-N 1 2 404.511 -0.077 20 0 HBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2cnn(C)c2n1 ZINC000479511731 1069991524 /nfs/dbraw/zinc/99/15/24/1069991524.db2.gz KCUHVXDNIWEKDL-UHFFFAOYSA-N 1 2 421.527 -0.473 20 0 HBADLO CCNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000479607847 1069999185 /nfs/dbraw/zinc/99/91/85/1069999185.db2.gz UBQFCZMIVUJONR-INIZCTEOSA-N 1 2 414.528 -0.181 20 0 HBADLO CCNS(=O)(=O)c1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000479607850 1069999323 /nfs/dbraw/zinc/99/93/23/1069999323.db2.gz UBQFCZMIVUJONR-MRXNPFEDSA-N 1 2 414.528 -0.181 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000479744525 1070014165 /nfs/dbraw/zinc/01/41/65/1070014165.db2.gz MKWRKJODRVEUGR-IBGZPJMESA-N 1 2 404.511 -0.077 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCN(c2ccccc2)CC1 ZINC000479744526 1070014047 /nfs/dbraw/zinc/01/40/47/1070014047.db2.gz MKWRKJODRVEUGR-LJQANCHMSA-N 1 2 404.511 -0.077 20 0 HBADLO O=C(C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1)N1CCCC1 ZINC000479842483 1070023762 /nfs/dbraw/zinc/02/37/62/1070023762.db2.gz YPQCTMNBILYANI-ZWKOTPCHSA-N 1 2 422.526 -0.451 20 0 HBADLO O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1)N1CCCC1 ZINC000479842483 1070023749 /nfs/dbraw/zinc/02/37/49/1070023749.db2.gz YPQCTMNBILYANI-ZWKOTPCHSA-N 1 2 422.526 -0.451 20 0 HBADLO c1nc2nc(=NCCCN3CCOCC3)cc(NCCC[NH+]3CCOCC3)n2[nH]1 ZINC000479854770 1069327063 /nfs/dbraw/zinc/32/70/63/1069327063.db2.gz WRXGSOUUIMWEKM-UHFFFAOYSA-N 1 2 404.519 -0.185 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000479860985 1070023163 /nfs/dbraw/zinc/02/31/63/1070023163.db2.gz FCPWWFLRTKJJPS-ZWKOTPCHSA-N 1 2 424.542 -0.205 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1 ZINC000479860985 1070023151 /nfs/dbraw/zinc/02/31/51/1070023151.db2.gz FCPWWFLRTKJJPS-ZWKOTPCHSA-N 1 2 424.542 -0.205 20 0 HBADLO COCc1nc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000479862936 1070027904 /nfs/dbraw/zinc/02/79/04/1070027904.db2.gz KPCZHFHKCWSQEP-UHFFFAOYSA-N 1 2 410.456 -0.507 20 0 HBADLO O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000479864685 1070028009 /nfs/dbraw/zinc/02/80/09/1070028009.db2.gz PPXZQCMQXQHHLL-KRWDZBQOSA-N 1 2 416.544 -0.649 20 0 HBADLO O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000479864685 1070027991 /nfs/dbraw/zinc/02/79/91/1070027991.db2.gz PPXZQCMQXQHHLL-KRWDZBQOSA-N 1 2 416.544 -0.649 20 0 HBADLO O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000479864686 1070027802 /nfs/dbraw/zinc/02/78/02/1070027802.db2.gz PPXZQCMQXQHHLL-QGZVFWFLSA-N 1 2 416.544 -0.649 20 0 HBADLO O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000479864686 1070027789 /nfs/dbraw/zinc/02/77/89/1070027789.db2.gz PPXZQCMQXQHHLL-QGZVFWFLSA-N 1 2 416.544 -0.649 20 0 HBADLO CN(CC(=O)N1CCOCC1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000479879015 1070027479 /nfs/dbraw/zinc/02/74/79/1070027479.db2.gz GVYVCPKEORWCCY-UHFFFAOYSA-N 1 2 403.483 -0.172 20 0 HBADLO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479910358 1070034366 /nfs/dbraw/zinc/03/43/66/1070034366.db2.gz FTZPPDMCVSVIBL-IKGGRYGDSA-N 1 2 411.499 -0.264 20 0 HBADLO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479910359 1070034500 /nfs/dbraw/zinc/03/45/00/1070034500.db2.gz FTZPPDMCVSVIBL-IXDOHACOSA-N 1 2 411.499 -0.264 20 0 HBADLO CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479910360 1070034343 /nfs/dbraw/zinc/03/43/43/1070034343.db2.gz FTZPPDMCVSVIBL-ULQDDVLXSA-N 1 2 411.499 -0.264 20 0 HBADLO CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000479910361 1070034476 /nfs/dbraw/zinc/03/44/76/1070034476.db2.gz FTZPPDMCVSVIBL-YESZJQIVSA-N 1 2 411.499 -0.264 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000479919732 1070032711 /nfs/dbraw/zinc/03/27/11/1070032711.db2.gz FGBTUMVSCQPAGB-DYESRHJHSA-N 1 2 417.510 -0.274 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@]2(CCOC2)C1 ZINC000479919750 1070032451 /nfs/dbraw/zinc/03/24/51/1070032451.db2.gz FGBTUMVSCQPAGB-LAUBAEHRSA-N 1 2 417.510 -0.274 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000479919756 1070036386 /nfs/dbraw/zinc/03/63/86/1070036386.db2.gz FGBTUMVSCQPAGB-UTKZUKDTSA-N 1 2 417.510 -0.274 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCO[C@@]2(CCOC2)C1 ZINC000479919760 1070036235 /nfs/dbraw/zinc/03/62/35/1070036235.db2.gz FGBTUMVSCQPAGB-UWJYYQICSA-N 1 2 417.510 -0.274 20 0 HBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479922290 1070032537 /nfs/dbraw/zinc/03/25/37/1070032537.db2.gz JSYCYRVHSRJWHI-CVEARBPZSA-N 1 2 417.514 -0.762 20 0 HBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479922291 1070032675 /nfs/dbraw/zinc/03/26/75/1070032675.db2.gz JSYCYRVHSRJWHI-HOTGVXAUSA-N 1 2 417.514 -0.762 20 0 HBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479922292 1070032568 /nfs/dbraw/zinc/03/25/68/1070032568.db2.gz JSYCYRVHSRJWHI-HZPDHXFCSA-N 1 2 417.514 -0.762 20 0 HBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479922293 1070032435 /nfs/dbraw/zinc/03/24/35/1070032435.db2.gz JSYCYRVHSRJWHI-JKSUJKDBSA-N 1 2 417.514 -0.762 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000479925724 1070036934 /nfs/dbraw/zinc/03/69/34/1070036934.db2.gz IBNQLKGZQHIWCT-IBGZPJMESA-N 1 2 414.572 -0.509 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000479926255 1070036990 /nfs/dbraw/zinc/03/69/90/1070036990.db2.gz IBNQLKGZQHIWCT-LJQANCHMSA-N 1 2 414.572 -0.509 20 0 HBADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000479928043 1070037031 /nfs/dbraw/zinc/03/70/31/1070037031.db2.gz TTZFUZDAFZVCFC-HNNXBMFYSA-N 1 2 410.496 -0.014 20 0 HBADLO NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000479928044 1070037068 /nfs/dbraw/zinc/03/70/68/1070037068.db2.gz TTZFUZDAFZVCFC-OAHLLOKOSA-N 1 2 410.496 -0.014 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000479928588 1070036844 /nfs/dbraw/zinc/03/68/44/1070036844.db2.gz SESIEASVQUFFOT-BZSNNMDCSA-N 1 2 419.526 -0.029 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H](C)O1 ZINC000479928601 1070036795 /nfs/dbraw/zinc/03/67/95/1070036795.db2.gz SESIEASVQUFFOT-KSZLIROESA-N 1 2 419.526 -0.029 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C[C@@H](C)O1 ZINC000479928605 1070037688 /nfs/dbraw/zinc/03/76/88/1070037688.db2.gz SESIEASVQUFFOT-KURKYZTESA-N 1 2 419.526 -0.029 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)O1 ZINC000479928608 1070037850 /nfs/dbraw/zinc/03/78/50/1070037850.db2.gz SESIEASVQUFFOT-SQNIBIBYSA-N 1 2 419.526 -0.029 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000479928611 1070037780 /nfs/dbraw/zinc/03/77/80/1070037780.db2.gz SFFOFYSEXUEUPC-CVEARBPZSA-N 1 2 402.499 -0.603 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000479928632 1070037367 /nfs/dbraw/zinc/03/73/67/1070037367.db2.gz SFFOFYSEXUEUPC-HOTGVXAUSA-N 1 2 402.499 -0.603 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000479928637 1070037729 /nfs/dbraw/zinc/03/77/29/1070037729.db2.gz SFFOFYSEXUEUPC-HZPDHXFCSA-N 1 2 402.499 -0.603 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000479928643 1070037633 /nfs/dbraw/zinc/03/76/33/1070037633.db2.gz SFFOFYSEXUEUPC-JKSUJKDBSA-N 1 2 402.499 -0.603 20 0 HBADLO C[C@H](CO)N(C[C@H](C)O)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479931287 1070037536 /nfs/dbraw/zinc/03/75/36/1070037536.db2.gz XOJBHTWZLDXAQX-BBWFWOEESA-N 1 2 407.515 -0.702 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C[C@H](C)O)[C@@H](C)CO ZINC000479931294 1070037488 /nfs/dbraw/zinc/03/74/88/1070037488.db2.gz XOJBHTWZLDXAQX-IKGGRYGDSA-N 1 2 407.515 -0.702 20 0 HBADLO C[C@H](O)CN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H](C)CO ZINC000479931315 1070037817 /nfs/dbraw/zinc/03/78/17/1070037817.db2.gz XOJBHTWZLDXAQX-ULQDDVLXSA-N 1 2 407.515 -0.702 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C[C@H](C)O)[C@H](C)CO ZINC000479931317 1070037392 /nfs/dbraw/zinc/03/73/92/1070037392.db2.gz XOJBHTWZLDXAQX-ZACQAIPSSA-N 1 2 407.515 -0.702 20 0 HBADLO CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000479932049 1070037577 /nfs/dbraw/zinc/03/75/77/1070037577.db2.gz YUWPLHVHUJBHPK-DLBZAZTESA-N 1 2 416.526 -0.213 20 0 HBADLO CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1 ZINC000479932055 1070038188 /nfs/dbraw/zinc/03/81/88/1070038188.db2.gz YUWPLHVHUJBHPK-IAGOWNOFSA-N 1 2 416.526 -0.213 20 0 HBADLO CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000479932057 1070038403 /nfs/dbraw/zinc/03/84/03/1070038403.db2.gz YUWPLHVHUJBHPK-IRXDYDNUSA-N 1 2 416.526 -0.213 20 0 HBADLO CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000479932059 1070038485 /nfs/dbraw/zinc/03/84/85/1070038485.db2.gz YUWPLHVHUJBHPK-SJORKVTESA-N 1 2 416.526 -0.213 20 0 HBADLO COCCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479946463 1070041076 /nfs/dbraw/zinc/04/10/76/1070041076.db2.gz FHEGOHJSFCVVQO-GOSISDBHSA-N 1 2 418.542 -0.501 20 0 HBADLO COCCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479946465 1070041317 /nfs/dbraw/zinc/04/13/17/1070041317.db2.gz FHEGOHJSFCVVQO-SFHVURJKSA-N 1 2 418.542 -0.501 20 0 HBADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479947017 1070041274 /nfs/dbraw/zinc/04/12/74/1070041274.db2.gz HFHVOBALIDADLO-INIZCTEOSA-N 1 2 418.542 -0.013 20 0 HBADLO CCNC(=O)C(C)(C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479947142 1070041228 /nfs/dbraw/zinc/04/12/28/1070041228.db2.gz HFHVOBALIDADLO-MRXNPFEDSA-N 1 2 418.542 -0.013 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000479949484 1070042273 /nfs/dbraw/zinc/04/22/73/1070042273.db2.gz NJSSPRGGHGIFDW-CVEARBPZSA-N 1 2 402.499 -0.555 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000479949485 1070042438 /nfs/dbraw/zinc/04/24/38/1070042438.db2.gz NJSSPRGGHGIFDW-HOTGVXAUSA-N 1 2 402.499 -0.555 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000479949486 1070042358 /nfs/dbraw/zinc/04/23/58/1070042358.db2.gz NJSSPRGGHGIFDW-HZPDHXFCSA-N 1 2 402.499 -0.555 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000479949487 1070042202 /nfs/dbraw/zinc/04/22/02/1070042202.db2.gz NJSSPRGGHGIFDW-JKSUJKDBSA-N 1 2 402.499 -0.555 20 0 HBADLO CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1=O ZINC000479952861 1070043978 /nfs/dbraw/zinc/04/39/78/1070043978.db2.gz BVWGGDUBYHSSSL-DLBZAZTESA-N 1 2 416.526 -0.213 20 0 HBADLO CCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C)C1=O ZINC000479952863 1070043610 /nfs/dbraw/zinc/04/36/10/1070043610.db2.gz BVWGGDUBYHSSSL-IAGOWNOFSA-N 1 2 416.526 -0.213 20 0 HBADLO CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1=O ZINC000479952866 1070043924 /nfs/dbraw/zinc/04/39/24/1070043924.db2.gz BVWGGDUBYHSSSL-IRXDYDNUSA-N 1 2 416.526 -0.213 20 0 HBADLO CCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1=O ZINC000479952868 1070043838 /nfs/dbraw/zinc/04/38/38/1070043838.db2.gz BVWGGDUBYHSSSL-SJORKVTESA-N 1 2 416.526 -0.213 20 0 HBADLO COC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479953715 1070044381 /nfs/dbraw/zinc/04/43/81/1070044381.db2.gz CYJFFKMSGIJONM-DLBZAZTESA-N 1 2 405.499 -0.418 20 0 HBADLO COC[C@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479953726 1070044666 /nfs/dbraw/zinc/04/46/66/1070044666.db2.gz CYJFFKMSGIJONM-IAGOWNOFSA-N 1 2 405.499 -0.418 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479953729 1070044404 /nfs/dbraw/zinc/04/44/04/1070044404.db2.gz CYJFFKMSGIJONM-IRXDYDNUSA-N 1 2 405.499 -0.418 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCO1 ZINC000479953731 1070044760 /nfs/dbraw/zinc/04/47/60/1070044760.db2.gz CYJFFKMSGIJONM-SJORKVTESA-N 1 2 405.499 -0.418 20 0 HBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479953814 1070044423 /nfs/dbraw/zinc/04/44/23/1070044423.db2.gz YNKMEDDIAAMIHS-BBWFWOEESA-N 1 2 416.526 -0.261 20 0 HBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479953817 1070044360 /nfs/dbraw/zinc/04/43/60/1070044360.db2.gz YNKMEDDIAAMIHS-BRWVUGGUSA-N 1 2 416.526 -0.261 20 0 HBADLO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479953819 1070044575 /nfs/dbraw/zinc/04/45/75/1070044575.db2.gz YNKMEDDIAAMIHS-GVDBMIGSSA-N 1 2 416.526 -0.261 20 0 HBADLO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479953821 1070044474 /nfs/dbraw/zinc/04/44/74/1070044474.db2.gz YNKMEDDIAAMIHS-ZACQAIPSSA-N 1 2 416.526 -0.261 20 0 HBADLO CCN1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1=O ZINC000479955152 1070044341 /nfs/dbraw/zinc/04/43/41/1070044341.db2.gz FHWOGTDPQRTBJU-INIZCTEOSA-N 1 2 402.499 -0.601 20 0 HBADLO CCN1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1=O ZINC000479955177 1070044524 /nfs/dbraw/zinc/04/45/24/1070044524.db2.gz FHWOGTDPQRTBJU-MRXNPFEDSA-N 1 2 402.499 -0.601 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000479959396 1070040438 /nfs/dbraw/zinc/04/04/38/1070040438.db2.gz JJMLBQVQGANMTI-GOSISDBHSA-N 1 2 418.542 -0.501 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCN1CCOCC1 ZINC000479959397 1070040109 /nfs/dbraw/zinc/04/01/09/1070040109.db2.gz JJMLBQVQGANMTI-SFHVURJKSA-N 1 2 418.542 -0.501 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000479959404 1070040496 /nfs/dbraw/zinc/04/04/96/1070040496.db2.gz JKBLBOSTBHOBFG-OWSLCNJRSA-N 1 2 401.511 -0.062 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000479959406 1070040281 /nfs/dbraw/zinc/04/02/81/1070040281.db2.gz JKBLBOSTBHOBFG-VSZNYVQBSA-N 1 2 401.511 -0.062 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000479959408 1070040144 /nfs/dbraw/zinc/04/01/44/1070040144.db2.gz JKBLBOSTBHOBFG-XDNAFOTISA-N 1 2 401.511 -0.062 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000479959409 1070040397 /nfs/dbraw/zinc/04/03/97/1070040397.db2.gz JKBLBOSTBHOBFG-XMTFNYHQSA-N 1 2 401.511 -0.062 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479966267 1070046691 /nfs/dbraw/zinc/04/66/91/1070046691.db2.gz NVFYWOIGCCLQRP-HRAATJIYSA-N 1 2 416.526 -0.307 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479966269 1070046872 /nfs/dbraw/zinc/04/68/72/1070046872.db2.gz NVFYWOIGCCLQRP-IERDGZPVSA-N 1 2 416.526 -0.307 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479966270 1070046906 /nfs/dbraw/zinc/04/69/06/1070046906.db2.gz NVFYWOIGCCLQRP-IIBYNOLFSA-N 1 2 416.526 -0.307 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479966272 1070046463 /nfs/dbraw/zinc/04/64/63/1070046463.db2.gz NVFYWOIGCCLQRP-KKSFZXQISA-N 1 2 416.526 -0.307 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000479966296 1070046437 /nfs/dbraw/zinc/04/64/37/1070046437.db2.gz OADHNURRTOYZKI-BRWVUGGUSA-N 1 2 414.510 -0.555 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000479966297 1070046737 /nfs/dbraw/zinc/04/67/37/1070046737.db2.gz OADHNURRTOYZKI-GVDBMIGSSA-N 1 2 414.510 -0.555 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000479966332 1070046945 /nfs/dbraw/zinc/04/69/45/1070046945.db2.gz OCDWXZWQMJTVBC-MSOLQXFVSA-N 1 2 416.526 -0.749 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000479966338 1070046978 /nfs/dbraw/zinc/04/69/78/1070046978.db2.gz OCDWXZWQMJTVBC-QZTJIDSGSA-N 1 2 416.526 -0.749 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000479966341 1070046649 /nfs/dbraw/zinc/04/66/49/1070046649.db2.gz OCDWXZWQMJTVBC-ROUUACIJSA-N 1 2 416.526 -0.749 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000479966344 1070046542 /nfs/dbraw/zinc/04/65/42/1070046542.db2.gz OCDWXZWQMJTVBC-ZWKOTPCHSA-N 1 2 416.526 -0.749 20 0 HBADLO CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479968591 1070046519 /nfs/dbraw/zinc/04/65/19/1070046519.db2.gz POJFDWSRZWYXPL-INIZCTEOSA-N 1 2 414.514 -0.115 20 0 HBADLO CCN(Cc1cn(C)nn1)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479968592 1070046591 /nfs/dbraw/zinc/04/65/91/1070046591.db2.gz POJFDWSRZWYXPL-MRXNPFEDSA-N 1 2 414.514 -0.115 20 0 HBADLO CCn1ncnc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479971023 1070046568 /nfs/dbraw/zinc/04/65/68/1070046568.db2.gz RTYIRNBYDOCNBN-HNNXBMFYSA-N 1 2 400.487 -0.364 20 0 HBADLO CCn1ncnc1CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000479971024 1070046623 /nfs/dbraw/zinc/04/66/23/1070046623.db2.gz RTYIRNBYDOCNBN-OAHLLOKOSA-N 1 2 400.487 -0.364 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000479971073 1070047322 /nfs/dbraw/zinc/04/73/22/1070047322.db2.gz SACNBVABIQSRFT-FOIQADDNSA-N 1 2 402.499 -0.568 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000479971076 1070047654 /nfs/dbraw/zinc/04/76/54/1070047654.db2.gz SACNBVABIQSRFT-MGPUTAFESA-N 1 2 402.499 -0.568 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000479971078 1070047494 /nfs/dbraw/zinc/04/74/94/1070047494.db2.gz SACNBVABIQSRFT-QRWLVFNGSA-N 1 2 402.499 -0.568 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000479971080 1070047400 /nfs/dbraw/zinc/04/74/00/1070047400.db2.gz SACNBVABIQSRFT-YWZLYKJASA-N 1 2 402.499 -0.568 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000479971456 1070047581 /nfs/dbraw/zinc/04/75/81/1070047581.db2.gz SIHNOEOTYVCRNE-INIZCTEOSA-N 1 2 414.510 -0.459 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000479971457 1070047204 /nfs/dbraw/zinc/04/72/04/1070047204.db2.gz SIHNOEOTYVCRNE-MRXNPFEDSA-N 1 2 414.510 -0.459 20 0 HBADLO CN(CC[NH+]1CCOCC1)c1cc(N(C)CCN2CCOCC2)n2ncnc2n1 ZINC000479971879 1069328888 /nfs/dbraw/zinc/32/88/88/1069328888.db2.gz VCWGYWGMIIZJPD-UHFFFAOYSA-N 1 2 404.519 -0.339 20 0 HBADLO Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c3ccccn3)CC1)C2 ZINC000479972825 1070047460 /nfs/dbraw/zinc/04/74/60/1070047460.db2.gz WJDOUICCCJNGMU-HNNXBMFYSA-N 1 2 412.498 -0.349 20 0 HBADLO Cc1nc2n(n1)CCN(C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c3ccccn3)CC1)C2 ZINC000479972826 1070047276 /nfs/dbraw/zinc/04/72/76/1070047276.db2.gz WJDOUICCCJNGMU-OAHLLOKOSA-N 1 2 412.498 -0.349 20 0 HBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479975128 1070048058 /nfs/dbraw/zinc/04/80/58/1070048058.db2.gz AXFVMELQMMSHPJ-DLBZAZTESA-N 1 2 416.526 -0.165 20 0 HBADLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479975130 1070048311 /nfs/dbraw/zinc/04/83/11/1070048311.db2.gz AXFVMELQMMSHPJ-IAGOWNOFSA-N 1 2 416.526 -0.165 20 0 HBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479975132 1070047907 /nfs/dbraw/zinc/04/79/07/1070047907.db2.gz AXFVMELQMMSHPJ-IRXDYDNUSA-N 1 2 416.526 -0.165 20 0 HBADLO CCC(=O)N1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000479975134 1070048211 /nfs/dbraw/zinc/04/82/11/1070048211.db2.gz AXFVMELQMMSHPJ-SJORKVTESA-N 1 2 416.526 -0.165 20 0 HBADLO CC(=O)N1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479976771 1070049552 /nfs/dbraw/zinc/04/95/52/1070049552.db2.gz GOWBBVICJAQMIQ-KRWDZBQOSA-N 1 2 416.526 -0.211 20 0 HBADLO CC(=O)N1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000479976772 1070049464 /nfs/dbraw/zinc/04/94/64/1070049464.db2.gz GOWBBVICJAQMIQ-QGZVFWFLSA-N 1 2 416.526 -0.211 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000479977110 1070045201 /nfs/dbraw/zinc/04/52/01/1070045201.db2.gz GXDTWOLCWFLHHK-INIZCTEOSA-N 1 2 419.530 -0.562 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000479977111 1070045411 /nfs/dbraw/zinc/04/54/11/1070045411.db2.gz GXDTWOLCWFLHHK-MRXNPFEDSA-N 1 2 419.530 -0.562 20 0 HBADLO CCN1CCCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1=O ZINC000479979057 1070050046 /nfs/dbraw/zinc/05/00/46/1070050046.db2.gz LICPYBFJEKDQFC-KRWDZBQOSA-N 1 2 416.526 -0.211 20 0 HBADLO CCN1CCCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1=O ZINC000479979058 1070049941 /nfs/dbraw/zinc/04/99/41/1070049941.db2.gz LICPYBFJEKDQFC-QGZVFWFLSA-N 1 2 416.526 -0.211 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000479980905 1070050677 /nfs/dbraw/zinc/05/06/77/1070050677.db2.gz NOMWGKYTXFVVLE-DLBZAZTESA-N 1 2 416.526 -0.178 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000479980912 1070050493 /nfs/dbraw/zinc/05/04/93/1070050493.db2.gz NOMWGKYTXFVVLE-IAGOWNOFSA-N 1 2 416.526 -0.178 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000479980913 1070050800 /nfs/dbraw/zinc/05/08/00/1070050800.db2.gz NOMWGKYTXFVVLE-IRXDYDNUSA-N 1 2 416.526 -0.178 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000479980915 1070050616 /nfs/dbraw/zinc/05/06/16/1070050616.db2.gz NOMWGKYTXFVVLE-SJORKVTESA-N 1 2 416.526 -0.178 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000479981938 1070050846 /nfs/dbraw/zinc/05/08/46/1070050846.db2.gz OGOBKYLMDLOQAS-MSOLQXFVSA-N 1 2 418.542 -0.455 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000479981950 1070050536 /nfs/dbraw/zinc/05/05/36/1070050536.db2.gz OGOBKYLMDLOQAS-QZTJIDSGSA-N 1 2 418.542 -0.455 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000479981952 1070050922 /nfs/dbraw/zinc/05/09/22/1070050922.db2.gz OGOBKYLMDLOQAS-ROUUACIJSA-N 1 2 418.542 -0.455 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000479981954 1070050642 /nfs/dbraw/zinc/05/06/42/1070050642.db2.gz OGOBKYLMDLOQAS-ZWKOTPCHSA-N 1 2 418.542 -0.455 20 0 HBADLO COCCN(C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCOC1 ZINC000479984912 1070048175 /nfs/dbraw/zinc/04/81/75/1070048175.db2.gz QAGDYDABOQZROV-MSOLQXFVSA-N 1 2 419.526 -0.028 20 0 HBADLO COCCN(C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCOC1 ZINC000479984919 1070047936 /nfs/dbraw/zinc/04/79/36/1070047936.db2.gz QAGDYDABOQZROV-QZTJIDSGSA-N 1 2 419.526 -0.028 20 0 HBADLO COCCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCOC1 ZINC000479984921 1070047957 /nfs/dbraw/zinc/04/79/57/1070047957.db2.gz QAGDYDABOQZROV-ROUUACIJSA-N 1 2 419.526 -0.028 20 0 HBADLO COCCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCOC1 ZINC000479984923 1070048885 /nfs/dbraw/zinc/04/88/85/1070048885.db2.gz QAGDYDABOQZROV-ZWKOTPCHSA-N 1 2 419.526 -0.028 20 0 HBADLO C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000479991425 1070049251 /nfs/dbraw/zinc/04/92/51/1070049251.db2.gz UUGOGQWPYLXWSD-KRWDZBQOSA-N 1 2 420.583 -0.127 20 0 HBADLO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCC[NH+]1CCSCC1 ZINC000479991431 1070049294 /nfs/dbraw/zinc/04/92/94/1070049294.db2.gz UUGOGQWPYLXWSD-QGZVFWFLSA-N 1 2 420.583 -0.127 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCCn1ccnn1 ZINC000479996446 1070051792 /nfs/dbraw/zinc/05/17/92/1070051792.db2.gz XXPNVMKQQNFPGV-INIZCTEOSA-N 1 2 400.487 -0.494 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCCn1ccnn1 ZINC000479996448 1070051942 /nfs/dbraw/zinc/05/19/42/1070051942.db2.gz XXPNVMKQQNFPGV-MRXNPFEDSA-N 1 2 400.487 -0.494 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CCO)C1CCOCC1 ZINC000479997020 1070051772 /nfs/dbraw/zinc/05/17/72/1070051772.db2.gz MISZAGYPGAVUKH-KRWDZBQOSA-N 1 2 419.526 -0.292 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(CCO)C1CCOCC1 ZINC000479997021 1070052058 /nfs/dbraw/zinc/05/20/58/1070052058.db2.gz MISZAGYPGAVUKH-QGZVFWFLSA-N 1 2 419.526 -0.292 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000480003360 1070053346 /nfs/dbraw/zinc/05/33/46/1070053346.db2.gz WSRQUBRJOYQFRN-GOSISDBHSA-N 1 2 400.545 -0.899 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000480003361 1070053081 /nfs/dbraw/zinc/05/30/81/1070053081.db2.gz WSRQUBRJOYQFRN-SFHVURJKSA-N 1 2 400.545 -0.899 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000480014976 1070054415 /nfs/dbraw/zinc/05/44/15/1070054415.db2.gz BZBVMTRLCQUHAY-CYBMUJFWSA-N 1 2 415.454 -0.888 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1cc(C(N)=O)no1 ZINC000480014980 1070054663 /nfs/dbraw/zinc/05/46/63/1070054663.db2.gz BZBVMTRLCQUHAY-ZDUSSCGKSA-N 1 2 415.454 -0.888 20 0 HBADLO COCC1(O)CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000480018720 1070055377 /nfs/dbraw/zinc/05/53/77/1070055377.db2.gz FDCLOWAFYMOOSV-KRWDZBQOSA-N 1 2 419.526 -0.292 20 0 HBADLO COCC1(O)CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000480018721 1070055230 /nfs/dbraw/zinc/05/52/30/1070055230.db2.gz FDCLOWAFYMOOSV-QGZVFWFLSA-N 1 2 419.526 -0.292 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000480018732 1070055254 /nfs/dbraw/zinc/05/52/54/1070055254.db2.gz FETTURUGOXPMDA-BRWVUGGUSA-N 1 2 405.499 -0.684 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000480018733 1070055970 /nfs/dbraw/zinc/05/59/70/1070055970.db2.gz FETTURUGOXPMDA-IKGGRYGDSA-N 1 2 405.499 -0.684 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000480018734 1070056038 /nfs/dbraw/zinc/05/60/38/1070056038.db2.gz FETTURUGOXPMDA-IXDOHACOSA-N 1 2 405.499 -0.684 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000480018735 1070055768 /nfs/dbraw/zinc/05/57/68/1070055768.db2.gz 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1070066390 /nfs/dbraw/zinc/06/63/90/1070066390.db2.gz FKTQSALEIQUOTD-UHFFFAOYSA-N 1 2 421.483 -0.605 20 0 HBADLO CN1CCN(c2cc(NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)nc[nH+]2)CC1=O ZINC000480117040 1070067267 /nfs/dbraw/zinc/06/72/67/1070067267.db2.gz SIOCGURFBRVOGA-UHFFFAOYSA-N 1 2 423.477 -0.061 20 0 HBADLO CN1CCN(c2cc(NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)[nH+]cn2)CC1=O ZINC000480117040 1070067258 /nfs/dbraw/zinc/06/72/58/1070067258.db2.gz SIOCGURFBRVOGA-UHFFFAOYSA-N 1 2 423.477 -0.061 20 0 HBADLO c1nc2nc(N3CC[N@H+]4CCOC[C@H]4C3)cc(N3CCN4CCOC[C@@H]4C3)n2n1 ZINC000480118178 1069331102 /nfs/dbraw/zinc/33/11/02/1069331102.db2.gz NSNJNKNZSAKLGW-CVEARBPZSA-N 1 2 400.487 -0.834 20 0 HBADLO c1nc2nc(N3CC[N@@H+]4CCOC[C@H]4C3)cc(N3CCN4CCOC[C@@H]4C3)n2n1 ZINC000480118178 1069331091 /nfs/dbraw/zinc/33/10/91/1069331091.db2.gz NSNJNKNZSAKLGW-CVEARBPZSA-N 1 2 400.487 -0.834 20 0 HBADLO c1nc2nc(N3CC[N@H+]4CCOC[C@@H]4C3)cc(N3CCN4CCOC[C@@H]4C3)n2n1 ZINC000480118180 1069330412 /nfs/dbraw/zinc/33/04/12/1069330412.db2.gz 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20 0 HBADLO CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000480121806 1070067635 /nfs/dbraw/zinc/06/76/35/1070067635.db2.gz XMXMSWLJLFCLTH-CABCVRRESA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000480121806 1070067616 /nfs/dbraw/zinc/06/76/16/1070067616.db2.gz XMXMSWLJLFCLTH-CABCVRRESA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000480121807 1070067959 /nfs/dbraw/zinc/06/79/59/1070067959.db2.gz XMXMSWLJLFCLTH-GJZGRUSLSA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000480121807 1070067945 /nfs/dbraw/zinc/06/79/45/1070067945.db2.gz XMXMSWLJLFCLTH-GJZGRUSLSA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000480121808 1070067510 /nfs/dbraw/zinc/06/75/10/1070067510.db2.gz XMXMSWLJLFCLTH-HUUCEWRRSA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000480121808 1070067490 /nfs/dbraw/zinc/06/74/90/1070067490.db2.gz XMXMSWLJLFCLTH-HUUCEWRRSA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)C1=O ZINC000480121809 1070067726 /nfs/dbraw/zinc/06/77/26/1070067726.db2.gz XMXMSWLJLFCLTH-LSDHHAIUSA-N 1 2 421.502 -0.774 20 0 HBADLO CCn1nccc1N1CCC[C@@H](NC(=O)N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)C1=O ZINC000480121809 1070067713 /nfs/dbraw/zinc/06/77/13/1070067713.db2.gz XMXMSWLJLFCLTH-LSDHHAIUSA-N 1 2 421.502 -0.774 20 0 HBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC(=O)N1CCOCC1 ZINC000480133342 1070069375 /nfs/dbraw/zinc/06/93/75/1070069375.db2.gz QWDWWYQHCPSGSL-UHFFFAOYSA-N 1 2 403.483 -0.125 20 0 HBADLO CCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000480135179 1070069229 /nfs/dbraw/zinc/06/92/29/1070069229.db2.gz LMIHUGDAISVIHH-UHFFFAOYSA-N 1 2 416.526 -0.209 20 0 HBADLO CCn1nccc1N1CCC[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000480145222 1070069842 /nfs/dbraw/zinc/06/98/42/1070069842.db2.gz XSRYTNGAQXVUFA-CVEARBPZSA-N 1 2 408.503 -0.267 20 0 HBADLO CCn1nccc1N1CCC[C@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000480145230 1070070237 /nfs/dbraw/zinc/07/02/37/1070070237.db2.gz XSRYTNGAQXVUFA-HOTGVXAUSA-N 1 2 408.503 -0.267 20 0 HBADLO CCn1nccc1N1CCC[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)C1=O ZINC000480145232 1070070177 /nfs/dbraw/zinc/07/01/77/1070070177.db2.gz XSRYTNGAQXVUFA-HZPDHXFCSA-N 1 2 408.503 -0.267 20 0 HBADLO CCn1nccc1N1CCC[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)C1=O ZINC000480145234 1070070522 /nfs/dbraw/zinc/07/05/22/1070070522.db2.gz XSRYTNGAQXVUFA-JKSUJKDBSA-N 1 2 408.503 -0.267 20 0 HBADLO CN(C1CC[NH+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1)S(C)(=O)=O ZINC000480162181 1070075704 /nfs/dbraw/zinc/07/57/04/1070075704.db2.gz POYSDYABHBBBFW-UHFFFAOYSA-N 1 2 412.512 -0.080 20 0 HBADLO COc1nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000480195446 1070077612 /nfs/dbraw/zinc/07/76/12/1070077612.db2.gz ILULGTNKCRDBMR-LUKYLMHMSA-N 1 2 423.562 -0.337 20 0 HBADLO COc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195448 1070077373 /nfs/dbraw/zinc/07/73/73/1070077373.db2.gz ILULGTNKCRDBMR-WNKDZCFJSA-N 1 2 423.562 -0.337 20 0 HBADLO COc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(N2CC[NH+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000480195449 1070077978 /nfs/dbraw/zinc/07/79/78/1070077978.db2.gz ILULGTNKCRDBMR-YVSFHVDLSA-N 1 2 423.562 -0.337 20 0 HBADLO COC(=O)c1cn([C@@H]2CCCN(c3cc(N4CCN(C)C(=O)C4)[nH+]cn3)C2)nn1 ZINC000480218567 1070082339 /nfs/dbraw/zinc/08/23/39/1070082339.db2.gz ZKXSVMOMEXMKQO-CYBMUJFWSA-N 1 2 400.443 -0.025 20 0 HBADLO COC(=O)c1cn([C@@H]2CCCN(c3cc(N4CCN(C)C(=O)C4)nc[nH+]3)C2)nn1 ZINC000480218567 1070082324 /nfs/dbraw/zinc/08/23/24/1070082324.db2.gz ZKXSVMOMEXMKQO-CYBMUJFWSA-N 1 2 400.443 -0.025 20 0 HBADLO COC(=O)c1cn([C@H]2CCCN(c3cc(N4CCN(C)C(=O)C4)[nH+]cn3)C2)nn1 ZINC000480218571 1070082056 /nfs/dbraw/zinc/08/20/56/1070082056.db2.gz ZKXSVMOMEXMKQO-ZDUSSCGKSA-N 1 2 400.443 -0.025 20 0 HBADLO COC(=O)c1cn([C@H]2CCCN(c3cc(N4CCN(C)C(=O)C4)nc[nH+]3)C2)nn1 ZINC000480218571 1070082037 /nfs/dbraw/zinc/08/20/37/1070082037.db2.gz ZKXSVMOMEXMKQO-ZDUSSCGKSA-N 1 2 400.443 -0.025 20 0 HBADLO Cc1nc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000480289066 1070087061 /nfs/dbraw/zinc/08/70/61/1070087061.db2.gz ZYJRWGBOPGMBSG-UHFFFAOYSA-N 1 2 401.558 -0.061 20 0 HBADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480307380 1070089142 /nfs/dbraw/zinc/08/91/42/1070089142.db2.gz VFMPBRKLIHTRRB-HNNXBMFYSA-N 1 2 417.466 -0.600 20 0 HBADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480307381 1070089473 /nfs/dbraw/zinc/08/94/73/1070089473.db2.gz VFMPBRKLIHTRRB-OAHLLOKOSA-N 1 2 417.466 -0.600 20 0 HBADLO NC(=O)C1(CNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000480318127 1070089057 /nfs/dbraw/zinc/08/90/57/1070089057.db2.gz YRXGVJBXYLQCPF-UHFFFAOYSA-N 1 2 403.483 -0.091 20 0 HBADLO c1nc2nc(=NCC[N@H+]3CCCOCC3)cc(NCCN3CCCOCC3)n2[nH]1 ZINC000480325867 1069333418 /nfs/dbraw/zinc/33/34/18/1069333418.db2.gz JUMLHYRTLPKTGT-UHFFFAOYSA-N 1 2 404.519 -0.185 20 0 HBADLO c1nc2nc(=NCC[N@@H+]3CCCOCC3)cc(NCCN3CCCOCC3)n2[nH]1 ZINC000480325867 1069333398 /nfs/dbraw/zinc/33/33/98/1069333398.db2.gz JUMLHYRTLPKTGT-UHFFFAOYSA-N 1 2 404.519 -0.185 20 0 HBADLO Cc1nc(NC[C@@H]2CCCCS2(=O)=O)nc(NC[C@@H]2CCCCS2(=O)=O)[nH+]1 ZINC000480339847 1070090923 /nfs/dbraw/zinc/09/09/23/1070090923.db2.gz VOIIOEUMYXAVAG-KBPBESRZSA-N 1 2 417.557 -0.218 20 0 HBADLO Cc1nc(NC[C@H]2CCCCS2(=O)=O)nc(NC[C@@H]2CCCCS2(=O)=O)[nH+]1 ZINC000480339848 1070090775 /nfs/dbraw/zinc/09/07/75/1070090775.db2.gz VOIIOEUMYXAVAG-OKILXGFUSA-N 1 2 417.557 -0.218 20 0 HBADLO Cc1nc(NC[C@@H]2CCCCS2(=O)=O)nc(NC[C@H]2CCCCS2(=O)=O)[nH+]1 ZINC000480339848 1070090762 /nfs/dbraw/zinc/09/07/62/1070090762.db2.gz VOIIOEUMYXAVAG-OKILXGFUSA-N 1 2 417.557 -0.218 20 0 HBADLO Cc1nc(NC[C@H]2CCCCS2(=O)=O)nc(NC[C@H]2CCCCS2(=O)=O)[nH+]1 ZINC000480339849 1070090975 /nfs/dbraw/zinc/09/09/75/1070090975.db2.gz VOIIOEUMYXAVAG-ZIAGYGMSSA-N 1 2 417.557 -0.218 20 0 HBADLO C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCN1c1nccn2cnnc12 ZINC000480406573 1070093977 /nfs/dbraw/zinc/09/39/77/1070093977.db2.gz FMLUYKIKBNTJKV-AWEZNQCLSA-N 1 2 408.470 -0.092 20 0 HBADLO C[C@H]1CN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCN1c1nccn2cnnc12 ZINC000480406573 1070093971 /nfs/dbraw/zinc/09/39/71/1070093971.db2.gz FMLUYKIKBNTJKV-AWEZNQCLSA-N 1 2 408.470 -0.092 20 0 HBADLO C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CCN1c1nccn2cnnc12 ZINC000480406579 1070094023 /nfs/dbraw/zinc/09/40/23/1070094023.db2.gz FMLUYKIKBNTJKV-CQSZACIVSA-N 1 2 408.470 -0.092 20 0 HBADLO C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CCN1c1nccn2cnnc12 ZINC000480406579 1070094007 /nfs/dbraw/zinc/09/40/07/1070094007.db2.gz FMLUYKIKBNTJKV-CQSZACIVSA-N 1 2 408.470 -0.092 20 0 HBADLO CCOC(=O)CNC(=O)C1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000480420484 1070095169 /nfs/dbraw/zinc/09/51/69/1070095169.db2.gz VADZNXPKSMBBDI-UHFFFAOYSA-N 1 2 404.471 -0.349 20 0 HBADLO CCOC(=O)CNC(=O)C1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000480420484 1070095152 /nfs/dbraw/zinc/09/51/52/1070095152.db2.gz VADZNXPKSMBBDI-UHFFFAOYSA-N 1 2 404.471 -0.349 20 0 HBADLO COCCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000480420799 1070094866 /nfs/dbraw/zinc/09/48/66/1070094866.db2.gz NUQVTISYNXOOTO-UHFFFAOYSA-N 1 2 412.516 -0.757 20 0 HBADLO COCCCS(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000480420799 1070094855 /nfs/dbraw/zinc/09/48/55/1070094855.db2.gz NUQVTISYNXOOTO-UHFFFAOYSA-N 1 2 412.516 -0.757 20 0 HBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000480424374 1070904916 /nfs/dbraw/zinc/90/49/16/1070904916.db2.gz DTMZWCCMAXXGMR-INIZCTEOSA-N 1 2 417.514 -0.876 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000480424375 1070095252 /nfs/dbraw/zinc/09/52/52/1070095252.db2.gz DTMZWCCMAXXGMR-MRXNPFEDSA-N 1 2 417.514 -0.876 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000480433659 1070095875 /nfs/dbraw/zinc/09/58/75/1070095875.db2.gz MYMACCRLKLPUPS-APWZRJJASA-N 1 2 422.501 -0.080 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000480433661 1070095908 /nfs/dbraw/zinc/09/59/08/1070095908.db2.gz MYMACCRLKLPUPS-LPHOPBHVSA-N 1 2 422.501 -0.080 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000480433663 1070096120 /nfs/dbraw/zinc/09/61/20/1070096120.db2.gz MYMACCRLKLPUPS-QFBILLFUSA-N 1 2 422.501 -0.080 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000480433664 1070096055 /nfs/dbraw/zinc/09/60/55/1070096055.db2.gz MYMACCRLKLPUPS-VQIMIIECSA-N 1 2 422.501 -0.080 20 0 HBADLO CN1CCN(c2cc(N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000480438486 1070096481 /nfs/dbraw/zinc/09/64/81/1070096481.db2.gz LQPHEDDHEDCRLS-HNNXBMFYSA-N 1 2 424.527 -0.614 20 0 HBADLO CN1CCN(c2cc(N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)[nH+]cn2)CC1=O ZINC000480438486 1070096462 /nfs/dbraw/zinc/09/64/62/1070096462.db2.gz LQPHEDDHEDCRLS-HNNXBMFYSA-N 1 2 424.527 -0.614 20 0 HBADLO CN1CCN(c2cc(N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)nc[nH+]2)CC1=O ZINC000480438490 1070096830 /nfs/dbraw/zinc/09/68/30/1070096830.db2.gz LQPHEDDHEDCRLS-OAHLLOKOSA-N 1 2 424.527 -0.614 20 0 HBADLO CN1CCN(c2cc(N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)[nH+]cn2)CC1=O ZINC000480438490 1070096815 /nfs/dbraw/zinc/09/68/15/1070096815.db2.gz LQPHEDDHEDCRLS-OAHLLOKOSA-N 1 2 424.527 -0.614 20 0 HBADLO COC(=O)C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000480473835 1070104833 /nfs/dbraw/zinc/10/48/33/1070104833.db2.gz YPROSUWZYONSFM-AWEZNQCLSA-N 1 2 406.439 -0.269 20 0 HBADLO COC(=O)C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)OC ZINC000480473841 1070104849 /nfs/dbraw/zinc/10/48/49/1070104849.db2.gz YPROSUWZYONSFM-CQSZACIVSA-N 1 2 406.439 -0.269 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000480478349 1070103138 /nfs/dbraw/zinc/10/31/38/1070103138.db2.gz RMKQFWHKMUVSKX-UHFFFAOYSA-N 1 2 418.541 -0.608 20 0 HBADLO C[C@](O)(CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C[NH+]1CCOCC1 ZINC000480486387 1070108619 /nfs/dbraw/zinc/10/86/19/1070108619.db2.gz IIGANQVUBGIXPL-INIZCTEOSA-N 1 2 405.542 -0.347 20 0 HBADLO C[C@@](O)(CNC(=O)c1ccc(CCNS(C)(=O)=O)s1)C[NH+]1CCOCC1 ZINC000480486388 1070108317 /nfs/dbraw/zinc/10/83/17/1070108317.db2.gz IIGANQVUBGIXPL-MRXNPFEDSA-N 1 2 405.542 -0.347 20 0 HBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480487362 1070109395 /nfs/dbraw/zinc/10/93/95/1070109395.db2.gz NAGATPNCLJQOPD-UHFFFAOYSA-N 1 2 418.541 -0.246 20 0 HBADLO C[C@](O)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000480499445 1070110320 /nfs/dbraw/zinc/11/03/20/1070110320.db2.gz LLMNNHYMCVLQFX-AWEZNQCLSA-N 1 2 411.933 -0.121 20 0 HBADLO C[C@@](O)(CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C[NH+]1CCOCC1 ZINC000480499447 1070110157 /nfs/dbraw/zinc/11/01/57/1070110157.db2.gz LLMNNHYMCVLQFX-CQSZACIVSA-N 1 2 411.933 -0.121 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000480518719 1070114183 /nfs/dbraw/zinc/11/41/83/1070114183.db2.gz NIZFRJPLUKUUGG-MSOLQXFVSA-N 1 2 418.494 -0.550 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000480518720 1070114263 /nfs/dbraw/zinc/11/42/63/1070114263.db2.gz NIZFRJPLUKUUGG-QZTJIDSGSA-N 1 2 418.494 -0.550 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000480518721 1070114161 /nfs/dbraw/zinc/11/41/61/1070114161.db2.gz NIZFRJPLUKUUGG-ROUUACIJSA-N 1 2 418.494 -0.550 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000480518722 1070114210 /nfs/dbraw/zinc/11/42/10/1070114210.db2.gz NIZFRJPLUKUUGG-ZWKOTPCHSA-N 1 2 418.494 -0.550 20 0 HBADLO COCC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000480521398 1070111913 /nfs/dbraw/zinc/11/19/13/1070111913.db2.gz LNZDEMFYABPAOK-UHFFFAOYSA-N 1 2 403.483 -0.172 20 0 HBADLO COCn1nccc1S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480526349 1070113356 /nfs/dbraw/zinc/11/33/56/1070113356.db2.gz NBJPFDWKLPVOOA-UHFFFAOYSA-N 1 2 408.484 -0.101 20 0 HBADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000480529543 1070116873 /nfs/dbraw/zinc/11/68/73/1070116873.db2.gz UJKFWHAXLCPJMV-AWEZNQCLSA-N 1 2 412.512 -0.415 20 0 HBADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000480529543 1070116863 /nfs/dbraw/zinc/11/68/63/1070116863.db2.gz UJKFWHAXLCPJMV-AWEZNQCLSA-N 1 2 412.512 -0.415 20 0 HBADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000480529549 1070116849 /nfs/dbraw/zinc/11/68/49/1070116849.db2.gz UJKFWHAXLCPJMV-CQSZACIVSA-N 1 2 412.512 -0.415 20 0 HBADLO CCN(C)S(=O)(=O)c1ccccc1C(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000480529549 1070116840 /nfs/dbraw/zinc/11/68/40/1070116840.db2.gz UJKFWHAXLCPJMV-CQSZACIVSA-N 1 2 412.512 -0.415 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC(O)(C2CC2)C1 ZINC000480542794 1070117015 /nfs/dbraw/zinc/11/70/15/1070117015.db2.gz AMFMNBMHHSCGGN-UHFFFAOYSA-N 1 2 409.512 -0.300 20 0 HBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1O ZINC000480565634 1070119554 /nfs/dbraw/zinc/11/95/54/1070119554.db2.gz AHEYJJVNXXIFSL-CVEARBPZSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1O ZINC000480565640 1070119403 /nfs/dbraw/zinc/11/94/03/1070119403.db2.gz AHEYJJVNXXIFSL-HOTGVXAUSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@H]1O ZINC000480565641 1070119656 /nfs/dbraw/zinc/11/96/56/1070119656.db2.gz AHEYJJVNXXIFSL-HZPDHXFCSA-N 1 2 411.528 -0.054 20 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ZINC000480571016 1070121324 /nfs/dbraw/zinc/12/13/24/1070121324.db2.gz XZLWKANMMFFKHI-UHFFFAOYSA-N 1 2 411.528 -0.053 20 0 HBADLO COc1c(CNC(=O)C(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c(C)nn1C ZINC000480586463 1070123852 /nfs/dbraw/zinc/12/38/52/1070123852.db2.gz UHUBHXXTWHVOFS-UHFFFAOYSA-N 1 2 403.487 -0.179 20 0 HBADLO COc1c(CNC(=O)C(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c(C)nn1C ZINC000480586463 1070123841 /nfs/dbraw/zinc/12/38/41/1070123841.db2.gz UHUBHXXTWHVOFS-UHFFFAOYSA-N 1 2 403.487 -0.179 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCc2c(C)nn(C)c2OC)CC1 ZINC000480618950 1070126780 /nfs/dbraw/zinc/12/67/80/1070126780.db2.gz XIAIRNOZXSAOEI-UHFFFAOYSA-N 1 2 422.530 -0.244 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCc2c(C)nn(C)c2OC)CC1 ZINC000480618950 1070126774 /nfs/dbraw/zinc/12/67/74/1070126774.db2.gz XIAIRNOZXSAOEI-UHFFFAOYSA-N 1 2 422.530 -0.244 20 0 HBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1C ZINC000480638302 1070130408 /nfs/dbraw/zinc/13/04/08/1070130408.db2.gz QBWXYHQSYFXTNO-UHFFFAOYSA-N 1 2 405.542 -0.020 20 0 HBADLO O=S(=O)(CCC[NH+]1CCOCC1)NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000480639049 1070130361 /nfs/dbraw/zinc/13/03/61/1070130361.db2.gz VDAJVCAJWZVREU-UHFFFAOYSA-N 1 2 406.526 -0.406 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NCc2c(C)nn(C)c2OC)[nH+]cn1 ZINC000480639275 1070131065 /nfs/dbraw/zinc/13/10/65/1070131065.db2.gz AJIKUYJTBPKBKQ-CYBMUJFWSA-N 1 2 416.486 -0.030 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)C(=O)NCc2c(C)nn(C)c2OC)nc[nH+]1 ZINC000480639275 1070131058 /nfs/dbraw/zinc/13/10/58/1070131058.db2.gz AJIKUYJTBPKBKQ-CYBMUJFWSA-N 1 2 416.486 -0.030 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NCc2c(C)nn(C)c2OC)[nH+]cn1 ZINC000480639278 1070131123 /nfs/dbraw/zinc/13/11/23/1070131123.db2.gz AJIKUYJTBPKBKQ-ZDUSSCGKSA-N 1 2 416.486 -0.030 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNC(=O)C(=O)NCc2c(C)nn(C)c2OC)nc[nH+]1 ZINC000480639278 1070131115 /nfs/dbraw/zinc/13/11/15/1070131115.db2.gz AJIKUYJTBPKBKQ-ZDUSSCGKSA-N 1 2 416.486 -0.030 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3COC[C@H]3n3ccnn3)ccn2)CC1 ZINC000480650238 1070131989 /nfs/dbraw/zinc/13/19/89/1070131989.db2.gz ODEDGEATXATAGG-JKSUJKDBSA-N 1 2 400.443 -0.178 20 0 HBADLO COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000480658129 1070133581 /nfs/dbraw/zinc/13/35/81/1070133581.db2.gz KAURISFQPDLQGO-CABCVRRESA-N 1 2 413.500 -0.260 20 0 HBADLO COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000480658130 1070133608 /nfs/dbraw/zinc/13/36/08/1070133608.db2.gz KAURISFQPDLQGO-GJZGRUSLSA-N 1 2 413.500 -0.260 20 0 HBADLO COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000480658131 1070133740 /nfs/dbraw/zinc/13/37/40/1070133740.db2.gz KAURISFQPDLQGO-HUUCEWRRSA-N 1 2 413.500 -0.260 20 0 HBADLO COC(=O)[C@H]1CCC[C@H]1S(=O)(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000480658132 1070133807 /nfs/dbraw/zinc/13/38/07/1070133807.db2.gz KAURISFQPDLQGO-LSDHHAIUSA-N 1 2 413.500 -0.260 20 0 HBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CC1 ZINC000480660694 1070131034 /nfs/dbraw/zinc/13/10/34/1070131034.db2.gz GFJNDNGQQKWUBN-UHFFFAOYSA-N 1 2 404.514 -0.684 20 0 HBADLO CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000480679071 1070135376 /nfs/dbraw/zinc/13/53/76/1070135376.db2.gz ILFWPASQZMUTKQ-AWEZNQCLSA-N 1 2 405.542 -0.020 20 0 HBADLO CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)CC1 ZINC000480679072 1070135417 /nfs/dbraw/zinc/13/54/17/1070135417.db2.gz ILFWPASQZMUTKQ-CQSZACIVSA-N 1 2 405.542 -0.020 20 0 HBADLO NC(=O)c1cnn2c1nccc2C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000480684556 1070139028 /nfs/dbraw/zinc/13/90/28/1070139028.db2.gz KMPRBIPJAFGHEH-UHFFFAOYSA-N 1 2 407.434 -0.115 20 0 HBADLO Cc1nc(NCC2(S(C)(=O)=O)CCC2)nc(NCC2(S(C)(=O)=O)CCC2)[nH+]1 ZINC000480690170 1070137058 /nfs/dbraw/zinc/13/70/58/1070137058.db2.gz AFQVRDYRZRXPOI-UHFFFAOYSA-N 1 2 417.557 -0.218 20 0 HBADLO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000480729094 1070143892 /nfs/dbraw/zinc/14/38/92/1070143892.db2.gz NBRXHWFOOKWYSS-UHFFFAOYSA-N 1 2 403.526 0.000 20 0 HBADLO CC(=O)N1CCN(CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000480788194 1070151274 /nfs/dbraw/zinc/15/12/74/1070151274.db2.gz HCEYJSVXBUNLDF-UHFFFAOYSA-N 1 2 416.526 -0.209 20 0 HBADLO CC1(C)COCC[N@H+]1CCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000480790803 1070149378 /nfs/dbraw/zinc/14/93/78/1070149378.db2.gz JMCPMHSSYCTMPJ-UHFFFAOYSA-N 1 2 419.530 -0.075 20 0 HBADLO CC1(C)COCC[N@@H+]1CCNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000480790803 1070149371 /nfs/dbraw/zinc/14/93/71/1070149371.db2.gz JMCPMHSSYCTMPJ-UHFFFAOYSA-N 1 2 419.530 -0.075 20 0 HBADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000480813439 1070153164 /nfs/dbraw/zinc/15/31/64/1070153164.db2.gz CMMPEBRUCYWWHU-CHWSQXEVSA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000480813446 1070152921 /nfs/dbraw/zinc/15/29/21/1070152921.db2.gz CMMPEBRUCYWWHU-OLZOCXBDSA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000480813449 1070153137 /nfs/dbraw/zinc/15/31/37/1070153137.db2.gz CMMPEBRUCYWWHU-QWHCGFSZSA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000480813452 1070152982 /nfs/dbraw/zinc/15/29/82/1070152982.db2.gz CMMPEBRUCYWWHU-STQMWFEESA-N 1 2 406.405 -0.554 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 ZINC000480818476 1070152956 /nfs/dbraw/zinc/15/29/56/1070152956.db2.gz UGVBJDSAAYGVMM-AWEZNQCLSA-N 1 2 409.454 -0.071 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 ZINC000480818480 1070153099 /nfs/dbraw/zinc/15/30/99/1070153099.db2.gz UGVBJDSAAYGVMM-CQSZACIVSA-N 1 2 409.454 -0.071 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000480857953 1070158308 /nfs/dbraw/zinc/15/83/08/1070158308.db2.gz CJOCYLMOIXPLQH-UHFFFAOYSA-N 1 2 409.443 -0.365 20 0 HBADLO Cn1cc[nH+]c1C[C@@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000480859416 1070156701 /nfs/dbraw/zinc/15/67/01/1070156701.db2.gz XHUIQZLVPQCHMB-AWEZNQCLSA-N 1 2 405.546 -0.503 20 0 HBADLO Cn1cc[nH+]c1C[C@H]1CCCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000480859417 1070156612 /nfs/dbraw/zinc/15/66/12/1070156612.db2.gz XHUIQZLVPQCHMB-CQSZACIVSA-N 1 2 405.546 -0.503 20 0 HBADLO Cc1nc(N2CCN(S(=O)(=O)CC3CCN(S(C)(=O)=O)CC3)CC2)cc[nH+]1 ZINC000480884368 1070165162 /nfs/dbraw/zinc/16/51/62/1070165162.db2.gz NCKYBTIIBHNVPW-UHFFFAOYSA-N 1 2 417.557 -0.092 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000480887627 1070162623 /nfs/dbraw/zinc/16/26/23/1070162623.db2.gz WSBOOTYJMSIQNX-INIZCTEOSA-N 1 2 419.457 -0.221 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000480887628 1070162533 /nfs/dbraw/zinc/16/25/33/1070162533.db2.gz WSBOOTYJMSIQNX-MRXNPFEDSA-N 1 2 419.457 -0.221 20 0 HBADLO CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000480913458 1070167895 /nfs/dbraw/zinc/16/78/95/1070167895.db2.gz HNJPHVWSVNPGKG-UHFFFAOYSA-N 1 2 416.457 -0.092 20 0 HBADLO CCOC(=O)CC(C)(C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000480921969 1070170274 /nfs/dbraw/zinc/17/02/74/1070170274.db2.gz RTFOUBBPWREAJU-UHFFFAOYSA-N 1 2 418.560 -0.008 20 0 HBADLO CCCN(C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000480935325 1070172027 /nfs/dbraw/zinc/17/20/27/1070172027.db2.gz XCRKGGAOTBBPKD-UHFFFAOYSA-N 1 2 405.546 -0.290 20 0 HBADLO C[C@H](OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccn1C ZINC000480944106 1070171804 /nfs/dbraw/zinc/17/18/04/1070171804.db2.gz YJYYVKZAJKVYKM-HNNXBMFYSA-N 1 2 414.532 -0.866 20 0 HBADLO C[C@@H](OCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nccn1C ZINC000480944107 1070171917 /nfs/dbraw/zinc/17/19/17/1070171917.db2.gz YJYYVKZAJKVYKM-OAHLLOKOSA-N 1 2 414.532 -0.866 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000481000855 1070175796 /nfs/dbraw/zinc/17/57/96/1070175796.db2.gz CMNWLHYZNWRIDA-UHFFFAOYSA-N 1 2 415.458 -0.411 20 0 HBADLO CCSc1nccnc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000481003350 1070175839 /nfs/dbraw/zinc/17/58/39/1070175839.db2.gz IEXUZJGKTILQTL-UHFFFAOYSA-N 1 2 414.557 -0.161 20 0 HBADLO COC(=O)[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000481008200 1070177424 /nfs/dbraw/zinc/17/74/24/1070177424.db2.gz OKMDROPMPHTLQV-WKILWMFISA-N 1 2 416.544 -0.398 20 0 HBADLO CN1CCC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000481027372 1070177345 /nfs/dbraw/zinc/17/73/45/1070177345.db2.gz VAWBBCSTOLVUSH-HNNXBMFYSA-N 1 2 424.527 -0.547 20 0 HBADLO CN1CCC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000481027378 1070177339 /nfs/dbraw/zinc/17/73/39/1070177339.db2.gz VAWBBCSTOLVUSH-OAHLLOKOSA-N 1 2 424.527 -0.547 20 0 HBADLO C[C@]1(C(N)=O)CCN(c2nc(N3CC[C@](C)(C(N)=O)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000481051176 1070178800 /nfs/dbraw/zinc/17/88/00/1070178800.db2.gz BLNPTHQBOXDNCI-OALUTQOASA-N 1 2 418.502 -0.888 20 0 HBADLO C[C@]1(C(N)=O)CCN(c2nc(N3CCOCC3)nc(N3CC[C@](C)(C(N)=O)C3)[nH+]2)C1 ZINC000481051176 1070178798 /nfs/dbraw/zinc/17/87/98/1070178798.db2.gz BLNPTHQBOXDNCI-OALUTQOASA-N 1 2 418.502 -0.888 20 0 HBADLO C[C@@]1(C(N)=O)CCN(c2nc(N3CC[C@@](C)(C(N)=O)C3)[nH+]c(N3CCOCC3)n2)C1 ZINC000481051177 1070178987 /nfs/dbraw/zinc/17/89/87/1070178987.db2.gz BLNPTHQBOXDNCI-RTBURBONSA-N 1 2 418.502 -0.888 20 0 HBADLO C[C@@]1(C(N)=O)CCN(c2nc(N3CCOCC3)nc(N3CC[C@@](C)(C(N)=O)C3)[nH+]2)C1 ZINC000481051177 1070178980 /nfs/dbraw/zinc/17/89/80/1070178980.db2.gz BLNPTHQBOXDNCI-RTBURBONSA-N 1 2 418.502 -0.888 20 0 HBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1CCS(=O)(=O)CC1 ZINC000481112543 1070183073 /nfs/dbraw/zinc/18/30/73/1070183073.db2.gz AAOCASJAEJJAKX-UHFFFAOYSA-N 1 2 423.539 -0.643 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCNC(=O)c3ccn[nH]3)ccn2)CC1 ZINC000481131896 1070186288 /nfs/dbraw/zinc/18/62/88/1070186288.db2.gz AJEPRECRFZCTNG-UHFFFAOYSA-N 1 2 400.443 -0.256 20 0 HBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)NC(C)(C)C)CC1)c(=O)n2C ZINC000481147784 1070188744 /nfs/dbraw/zinc/18/87/44/1070188744.db2.gz UATPALHGLIILRP-UHFFFAOYSA-N 1 2 405.503 -0.051 20 0 HBADLO COC(=O)COc1ccc(C[N@@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000481161765 1070188728 /nfs/dbraw/zinc/18/87/28/1070188728.db2.gz BLDLLECGHLXISF-UHFFFAOYSA-N 1 2 404.423 -0.467 20 0 HBADLO COC(=O)COc1ccc(C[N@H+](C)CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1 ZINC000481161765 1070188725 /nfs/dbraw/zinc/18/87/25/1070188725.db2.gz BLDLLECGHLXISF-UHFFFAOYSA-N 1 2 404.423 -0.467 20 0 HBADLO CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000481163308 1070188550 /nfs/dbraw/zinc/18/85/50/1070188550.db2.gz NHGZOQOOOCNWPM-UHFFFAOYSA-N 1 2 409.443 -0.269 20 0 HBADLO CCOC(=O)CN(CC(N)=O)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000481165165 1070189605 /nfs/dbraw/zinc/18/96/05/1070189605.db2.gz 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ZINC000481432383 1070216629 /nfs/dbraw/zinc/21/66/29/1070216629.db2.gz IAPZSACSDBDBHH-UHFFFAOYSA-N 1 2 402.542 -0.374 20 0 HBADLO C[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000481432858 1070216526 /nfs/dbraw/zinc/21/65/26/1070216526.db2.gz GRLXZGJYNCRXKH-INIZCTEOSA-N 1 2 402.542 -0.203 20 0 HBADLO C[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@H](c2ccccc2)C1 ZINC000481432858 1070216515 /nfs/dbraw/zinc/21/65/15/1070216515.db2.gz GRLXZGJYNCRXKH-INIZCTEOSA-N 1 2 402.542 -0.203 20 0 HBADLO C[N@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000481432860 1070216585 /nfs/dbraw/zinc/21/65/85/1070216585.db2.gz GRLXZGJYNCRXKH-MRXNPFEDSA-N 1 2 402.542 -0.203 20 0 HBADLO C[N@@H+]1CCN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000481432860 1070216573 /nfs/dbraw/zinc/21/65/73/1070216573.db2.gz GRLXZGJYNCRXKH-MRXNPFEDSA-N 1 2 402.542 -0.203 20 0 HBADLO C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)S(=O)(=O)C1CCOCC1 ZINC000481436744 1070215743 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OSABVHKINJUSJU-OAHLLOKOSA-N 1 2 403.487 -0.234 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C[C@@H](C)O1 ZINC000481680761 1070243748 /nfs/dbraw/zinc/24/37/48/1070243748.db2.gz BOZOLDOMPJLALQ-BZUAXINKSA-N 1 2 411.528 -0.056 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C[C@@H](C)O1 ZINC000481680762 1070243842 /nfs/dbraw/zinc/24/38/42/1070243842.db2.gz BOZOLDOMPJLALQ-OAGGEKHMSA-N 1 2 411.528 -0.056 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)C[C@H](C)O1 ZINC000481680763 1070243908 /nfs/dbraw/zinc/24/39/08/1070243908.db2.gz BOZOLDOMPJLALQ-OWCLPIDISA-N 1 2 411.528 -0.056 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)C[C@H](C)O1 ZINC000481680764 1070243896 /nfs/dbraw/zinc/24/38/96/1070243896.db2.gz BOZOLDOMPJLALQ-XHSDSOJGSA-N 1 2 411.528 -0.056 20 0 HBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCCN1C(=O)CNC1=O ZINC000481745368 1070256125 /nfs/dbraw/zinc/25/61/25/1070256125.db2.gz 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O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000485666110 1070466861 /nfs/dbraw/zinc/46/68/61/1070466861.db2.gz OXHSZBYOGFWTPK-INIZCTEOSA-N 1 2 406.483 -0.550 20 0 HBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000485666115 1070466961 /nfs/dbraw/zinc/46/69/61/1070466961.db2.gz OXHSZBYOGFWTPK-MRXNPFEDSA-N 1 2 406.483 -0.550 20 0 HBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000485666115 1070466951 /nfs/dbraw/zinc/46/69/51/1070466951.db2.gz OXHSZBYOGFWTPK-MRXNPFEDSA-N 1 2 406.483 -0.550 20 0 HBADLO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000485670394 1070466833 /nfs/dbraw/zinc/46/68/33/1070466833.db2.gz QYSJQZKVKMLRAQ-CHWSQXEVSA-N 1 2 417.557 -0.238 20 0 HBADLO CC(C)Cc1nnc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000485670395 1070467073 /nfs/dbraw/zinc/46/70/73/1070467073.db2.gz QYSJQZKVKMLRAQ-OLZOCXBDSA-N 1 2 417.557 -0.238 20 0 HBADLO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000485670396 1070467011 /nfs/dbraw/zinc/46/70/11/1070467011.db2.gz QYSJQZKVKMLRAQ-QWHCGFSZSA-N 1 2 417.557 -0.238 20 0 HBADLO CC(C)Cc1nnc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000485670397 1070466720 /nfs/dbraw/zinc/46/67/20/1070466720.db2.gz QYSJQZKVKMLRAQ-STQMWFEESA-N 1 2 417.557 -0.238 20 0 HBADLO CCCCc1nnc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000485670824 1070466916 /nfs/dbraw/zinc/46/69/16/1070466916.db2.gz RFBKKTPDZKGRTM-CHWSQXEVSA-N 1 2 417.557 -0.093 20 0 HBADLO CCCCc1nnc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)s1 ZINC000485670825 1070466764 /nfs/dbraw/zinc/46/67/64/1070466764.db2.gz RFBKKTPDZKGRTM-OLZOCXBDSA-N 1 2 417.557 -0.093 20 0 HBADLO CCCCc1nnc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)s1 ZINC000485670826 1070466900 /nfs/dbraw/zinc/46/69/00/1070466900.db2.gz RFBKKTPDZKGRTM-QWHCGFSZSA-N 1 2 417.557 -0.093 20 0 HBADLO 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408.503 -0.282 20 0 HBADLO O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1CC1 ZINC000486218736 1070492608 /nfs/dbraw/zinc/49/26/08/1070492608.db2.gz RWUNPPIFLULREN-UHFFFAOYSA-N 1 2 424.527 -0.641 20 0 HBADLO COCCn1c(N)c(C(=O)CN2CCN(c3cc(C)cc[nH+]3)CC2)c(=O)[nH]c1=O ZINC000486244218 1070495716 /nfs/dbraw/zinc/49/57/16/1070495716.db2.gz RWCVEIYBGBLREA-UHFFFAOYSA-N 1 2 402.455 -0.114 20 0 HBADLO O=C(CNC(=O)c1ncccc1O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000486283042 1070497197 /nfs/dbraw/zinc/49/71/97/1070497197.db2.gz VXKRLMKYBDKZCG-UHFFFAOYSA-N 1 2 411.462 -0.022 20 0 HBADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000486318153 1070498847 /nfs/dbraw/zinc/49/88/47/1070498847.db2.gz FTEVPKIEDMUIGO-CVEARBPZSA-N 1 2 420.514 -0.469 20 0 HBADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000486318153 1070498841 /nfs/dbraw/zinc/49/88/41/1070498841.db2.gz FTEVPKIEDMUIGO-CVEARBPZSA-N 1 2 420.514 -0.469 20 0 HBADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000486318161 1070498858 /nfs/dbraw/zinc/49/88/58/1070498858.db2.gz FTEVPKIEDMUIGO-HOTGVXAUSA-N 1 2 420.514 -0.469 20 0 HBADLO CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000486318161 1070498853 /nfs/dbraw/zinc/49/88/53/1070498853.db2.gz FTEVPKIEDMUIGO-HOTGVXAUSA-N 1 2 420.514 -0.469 20 0 HBADLO CN(Cc1ccccc1S(N)(=O)=O)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000486355944 1070499753 /nfs/dbraw/zinc/49/97/53/1070499753.db2.gz CDVGQZYLLMOTHW-INIZCTEOSA-N 1 2 424.523 -0.527 20 0 HBADLO CN(Cc1ccccc1S(N)(=O)=O)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000486355945 1070499617 /nfs/dbraw/zinc/49/96/17/1070499617.db2.gz CDVGQZYLLMOTHW-MRXNPFEDSA-N 1 2 424.523 -0.527 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1F ZINC000486411920 1070501614 /nfs/dbraw/zinc/50/16/14/1070501614.db2.gz XXQUKGOYEQFXMH-CYBMUJFWSA-N 1 2 404.464 -0.109 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1F ZINC000486411930 1070501663 /nfs/dbraw/zinc/50/16/63/1070501663.db2.gz XXQUKGOYEQFXMH-ZDUSSCGKSA-N 1 2 404.464 -0.109 20 0 HBADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000486430636 1070502431 /nfs/dbraw/zinc/50/24/31/1070502431.db2.gz HMCLFDONHMHXCC-HNNXBMFYSA-N 1 2 406.487 -0.905 20 0 HBADLO CC(C)C(=O)N[C@@H](CO)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000486430636 1070502418 /nfs/dbraw/zinc/50/24/18/1070502418.db2.gz HMCLFDONHMHXCC-HNNXBMFYSA-N 1 2 406.487 -0.905 20 0 HBADLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cc2cc(S(N)(=O)=O)cn2C)CC1 ZINC000486458850 1070502917 /nfs/dbraw/zinc/50/29/17/1070502917.db2.gz JVOHNXDNDCFJEC-UHFFFAOYSA-N 1 2 408.528 -0.090 20 0 HBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000486471296 1070504133 /nfs/dbraw/zinc/50/41/33/1070504133.db2.gz HKNVNCNLVXQAKC-INIZCTEOSA-N 1 2 410.544 -0.224 20 0 HBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000486471299 1070503907 /nfs/dbraw/zinc/50/39/07/1070503907.db2.gz HKNVNCNLVXQAKC-MRXNPFEDSA-N 1 2 410.544 -0.224 20 0 HBADLO O=C(CNS(=O)(=O)c1cccs1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000486504301 1070504612 /nfs/dbraw/zinc/50/46/12/1070504612.db2.gz LPCUSOWRJCMPJM-UHFFFAOYSA-N 1 2 410.525 -0.245 20 0 HBADLO CC1(C)NC(=O)N(CCCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000486506460 1070505229 /nfs/dbraw/zinc/50/52/29/1070505229.db2.gz RTYRZQPDRVBCLQ-UHFFFAOYSA-N 1 2 403.487 -0.175 20 0 HBADLO CCS(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000486530434 1070506390 /nfs/dbraw/zinc/50/63/90/1070506390.db2.gz GEKKSSSIRQLVIB-UHFFFAOYSA-N 1 2 410.544 -0.224 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc(S(N)(=O)=O)cn2C)[nH+]cn1 ZINC000486594015 1070507730 /nfs/dbraw/zinc/50/77/30/1070507730.db2.gz AXKACEIYRXGTMZ-GFCCVEGCSA-N 1 2 407.500 -0.168 20 0 HBADLO CNc1cc(N2CCC[C@@H]2CNC(=O)Cc2cc(S(N)(=O)=O)cn2C)nc[nH+]1 ZINC000486594015 1070507716 /nfs/dbraw/zinc/50/77/16/1070507716.db2.gz AXKACEIYRXGTMZ-GFCCVEGCSA-N 1 2 407.500 -0.168 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc(S(N)(=O)=O)cn2C)[nH+]cn1 ZINC000486594016 1070507507 /nfs/dbraw/zinc/50/75/07/1070507507.db2.gz AXKACEIYRXGTMZ-LBPRGKRZSA-N 1 2 407.500 -0.168 20 0 HBADLO CNc1cc(N2CCC[C@H]2CNC(=O)Cc2cc(S(N)(=O)=O)cn2C)nc[nH+]1 ZINC000486594016 1070507501 /nfs/dbraw/zinc/50/75/01/1070507501.db2.gz AXKACEIYRXGTMZ-LBPRGKRZSA-N 1 2 407.500 -0.168 20 0 HBADLO NS(=O)(=O)c1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)co1 ZINC000486614515 1070509195 /nfs/dbraw/zinc/50/91/95/1070509195.db2.gz JWHYMKTYVGKZIV-UHFFFAOYSA-N 1 2 407.452 -0.209 20 0 HBADLO NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000486617106 1070509806 /nfs/dbraw/zinc/50/98/06/1070509806.db2.gz VYAOUIMJQXHKJQ-UHFFFAOYSA-N 1 2 418.479 -0.407 20 0 HBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000486644168 1070510570 /nfs/dbraw/zinc/51/05/70/1070510570.db2.gz HCCNUTUIJYSKGU-HNNXBMFYSA-N 1 2 400.501 -0.835 20 0 HBADLO Cn1cc(S(N)(=O)=O)cc1CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000486644169 1070510341 /nfs/dbraw/zinc/51/03/41/1070510341.db2.gz HCCNUTUIJYSKGU-OAHLLOKOSA-N 1 2 400.501 -0.835 20 0 HBADLO NC(=O)c1cnn2c1nccc2C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486666628 1070512116 /nfs/dbraw/zinc/51/21/16/1070512116.db2.gz UHVGHVRIERHTBL-UHFFFAOYSA-N 1 2 422.449 -0.308 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000486715163 1070513990 /nfs/dbraw/zinc/51/39/90/1070513990.db2.gz FRTGVMYFPKVAQI-GOSISDBHSA-N 1 2 421.498 -0.192 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000486715164 1070513959 /nfs/dbraw/zinc/51/39/59/1070513959.db2.gz FRTGVMYFPKVAQI-SFHVURJKSA-N 1 2 421.498 -0.192 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000486745530 1069608163 /nfs/dbraw/zinc/60/81/63/1069608163.db2.gz WRZOXMFUQFHYIK-KRWDZBQOSA-N 1 2 421.498 -0.192 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000486745531 1069607959 /nfs/dbraw/zinc/60/79/59/1069607959.db2.gz WRZOXMFUQFHYIK-QGZVFWFLSA-N 1 2 421.498 -0.192 20 0 HBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(F)(F)F ZINC000486788896 1070517067 /nfs/dbraw/zinc/51/70/67/1070517067.db2.gz TWHZSIGCZDANDN-NEPJUHHUSA-N 1 2 420.454 -0.857 20 0 HBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(F)(F)F ZINC000486788897 1070517225 /nfs/dbraw/zinc/51/72/25/1070517225.db2.gz TWHZSIGCZDANDN-NWDGAFQWSA-N 1 2 420.454 -0.857 20 0 HBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)C(F)(F)F ZINC000486788898 1070516919 /nfs/dbraw/zinc/51/69/19/1070516919.db2.gz TWHZSIGCZDANDN-RYUDHWBXSA-N 1 2 420.454 -0.857 20 0 HBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)C(F)(F)F ZINC000486788899 1070517171 /nfs/dbraw/zinc/51/71/71/1070517171.db2.gz TWHZSIGCZDANDN-VXGBXAGGSA-N 1 2 420.454 -0.857 20 0 HBADLO NC(=O)c1c[nH]c(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000486816505 1070518121 /nfs/dbraw/zinc/51/81/21/1070518121.db2.gz CAHIZHTWQVCYDZ-UHFFFAOYSA-N 1 2 406.468 -0.610 20 0 HBADLO CC(=O)N1CC[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000486824001 1070519638 /nfs/dbraw/zinc/51/96/38/1070519638.db2.gz XKSLLLVDVXVNQY-INIZCTEOSA-N 1 2 409.512 -0.482 20 0 HBADLO CC(=O)N1CC[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000486824006 1070519611 /nfs/dbraw/zinc/51/96/11/1070519611.db2.gz XKSLLLVDVXVNQY-MRXNPFEDSA-N 1 2 409.512 -0.482 20 0 HBADLO CN(C)S(=O)(=O)c1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)n(C)c1 ZINC000486847825 1070519525 /nfs/dbraw/zinc/51/95/25/1070519525.db2.gz UJUPZFIEHXKXQN-UHFFFAOYSA-N 1 2 421.527 -0.383 20 0 HBADLO c1ccc2c(c1)[nH+]c(NCCNc1cnccn1)nc2NCCNc1cnccn1 ZINC000486922036 1070522005 /nfs/dbraw/zinc/52/20/05/1070522005.db2.gz UHQJNBNYWNSCQJ-UHFFFAOYSA-N 1 2 402.466 -0.055 20 0 HBADLO COC(=O)CCN(C)S(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000486993837 1070524637 /nfs/dbraw/zinc/52/46/37/1070524637.db2.gz FIFMESJFJSJPPC-UHFFFAOYSA-N 1 2 413.500 -0.550 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000487069999 1070527881 /nfs/dbraw/zinc/52/78/81/1070527881.db2.gz TYXQLTZIIHKRSU-HNNXBMFYSA-N 1 2 410.496 -0.608 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000487070001 1070527729 /nfs/dbraw/zinc/52/77/29/1070527729.db2.gz TYXQLTZIIHKRSU-OAHLLOKOSA-N 1 2 410.496 -0.608 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CC(=O)N(CC(F)(F)F)C1 ZINC000487095123 1070530267 /nfs/dbraw/zinc/53/02/67/1070530267.db2.gz FHQQHAUNKCAISF-UHFFFAOYSA-N 1 2 401.393 -0.028 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000487131401 1070532910 /nfs/dbraw/zinc/53/29/10/1070532910.db2.gz BPCQLFUPPQPVQD-KBPBESRZSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000487131401 1070532893 /nfs/dbraw/zinc/53/28/93/1070532893.db2.gz BPCQLFUPPQPVQD-KBPBESRZSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000487131404 1070533450 /nfs/dbraw/zinc/53/34/50/1070533450.db2.gz BPCQLFUPPQPVQD-KGLIPLIRSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000487131404 1070533445 /nfs/dbraw/zinc/53/34/45/1070533445.db2.gz BPCQLFUPPQPVQD-KGLIPLIRSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000487131405 1070533323 /nfs/dbraw/zinc/53/33/23/1070533323.db2.gz BPCQLFUPPQPVQD-UONOGXRCSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000487131405 1070533314 /nfs/dbraw/zinc/53/33/14/1070533314.db2.gz BPCQLFUPPQPVQD-UONOGXRCSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000487131407 1070533405 /nfs/dbraw/zinc/53/34/05/1070533405.db2.gz BPCQLFUPPQPVQD-ZIAGYGMSSA-N 1 2 414.484 -0.718 20 0 HBADLO COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000487131407 1070533403 /nfs/dbraw/zinc/53/34/03/1070533403.db2.gz BPCQLFUPPQPVQD-ZIAGYGMSSA-N 1 2 414.484 -0.718 20 0 HBADLO CC(C)(CNC(=O)CN1CC[C@H](S(=O)(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000487145200 1070534005 /nfs/dbraw/zinc/53/40/05/1070534005.db2.gz ASQQIEOMXBLTRH-INIZCTEOSA-N 1 2 402.561 -0.287 20 0 HBADLO CC(C)(CNC(=O)CN1CC[C@@H](S(=O)(=O)N2CCCC2)C1)[NH+]1CCOCC1 ZINC000487145201 1070533858 /nfs/dbraw/zinc/53/38/58/1070533858.db2.gz ASQQIEOMXBLTRH-MRXNPFEDSA-N 1 2 402.561 -0.287 20 0 HBADLO O=C(C[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000487165403 1070534553 /nfs/dbraw/zinc/53/45/53/1070534553.db2.gz RAVGNFRQLSWCNP-INIZCTEOSA-N 1 2 408.528 -0.375 20 0 HBADLO O=C(C[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000487165403 1070534545 /nfs/dbraw/zinc/53/45/45/1070534545.db2.gz RAVGNFRQLSWCNP-INIZCTEOSA-N 1 2 408.528 -0.375 20 0 HBADLO O=C(C[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000487165404 1070534515 /nfs/dbraw/zinc/53/45/15/1070534515.db2.gz RAVGNFRQLSWCNP-MRXNPFEDSA-N 1 2 408.528 -0.375 20 0 HBADLO O=C(C[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1)N1CCN(c2cnccn2)CC1 ZINC000487165404 1070534508 /nfs/dbraw/zinc/53/45/08/1070534508.db2.gz RAVGNFRQLSWCNP-MRXNPFEDSA-N 1 2 408.528 -0.375 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000487167079 1070534610 /nfs/dbraw/zinc/53/46/10/1070534610.db2.gz QEORIFOCSBMFNZ-UHFFFAOYSA-N 1 2 415.498 -0.107 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000487167079 1070534603 /nfs/dbraw/zinc/53/46/03/1070534603.db2.gz QEORIFOCSBMFNZ-UHFFFAOYSA-N 1 2 415.498 -0.107 20 0 HBADLO Cn1c(=O)c2ccc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)nc2n(C)c1=O ZINC000487204141 1070535468 /nfs/dbraw/zinc/53/54/68/1070535468.db2.gz XEEYAXKKCHBYJQ-UHFFFAOYSA-N 1 2 413.438 -0.587 20 0 HBADLO Cc1nc(S(=O)(=O)NCC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cn1C ZINC000487211882 1070536275 /nfs/dbraw/zinc/53/62/75/1070536275.db2.gz ZEMDKKNHOAIOBH-UHFFFAOYSA-N 1 2 411.488 -0.826 20 0 HBADLO C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000487275488 1070537621 /nfs/dbraw/zinc/53/76/21/1070537621.db2.gz XIAVLWIPQMFKHS-RBUKOAKNSA-N 1 2 420.510 -0.804 20 0 HBADLO C[N@H+](CC(=O)[O-])[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000487275488 1070537609 /nfs/dbraw/zinc/53/76/09/1070537609.db2.gz XIAVLWIPQMFKHS-RBUKOAKNSA-N 1 2 420.510 -0.804 20 0 HBADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000487275518 1070537720 /nfs/dbraw/zinc/53/77/20/1070537720.db2.gz XIAVLWIPQMFKHS-RTBURBONSA-N 1 2 420.510 -0.804 20 0 HBADLO C[N@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C[C@H]1O ZINC000487275518 1070537711 /nfs/dbraw/zinc/53/77/11/1070537711.db2.gz XIAVLWIPQMFKHS-RTBURBONSA-N 1 2 420.510 -0.804 20 0 HBADLO Cn1c(=O)c2cc(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)cnc2n(C)c1=O ZINC000487288961 1070538232 /nfs/dbraw/zinc/53/82/32/1070538232.db2.gz DLILJGRGSAYKTF-UHFFFAOYSA-N 1 2 413.438 -0.587 20 0 HBADLO CN(CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)S(=O)(=O)c1cccnc1 ZINC000487294130 1070538422 /nfs/dbraw/zinc/53/84/22/1070538422.db2.gz XSPKCMRYIADVEP-UHFFFAOYSA-N 1 2 408.484 -0.131 20 0 HBADLO O=C(CCNS(=O)(=O)c1cccnc1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000487295855 1070538128 /nfs/dbraw/zinc/53/81/28/1070538128.db2.gz WXAVUPUOKMCIGY-UHFFFAOYSA-N 1 2 408.484 -0.083 20 0 HBADLO Cc1cc(C[C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000487304432 1070538378 /nfs/dbraw/zinc/53/83/78/1070538378.db2.gz LMIQTLLZJGHJNH-AWEZNQCLSA-N 1 2 413.548 -0.531 20 0 HBADLO Cc1cc(C[C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[nH]n1 ZINC000487304462 1070538094 /nfs/dbraw/zinc/53/80/94/1070538094.db2.gz LMIQTLLZJGHJNH-CQSZACIVSA-N 1 2 413.548 -0.531 20 0 HBADLO C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000487326877 1070538835 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1071601728 /nfs/dbraw/zinc/60/17/28/1071601728.db2.gz YYOPXPQGACVZJR-AWEZNQCLSA-N 1 2 423.532 -0.226 20 0 HBADLO C[C@H]1CN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1CCO ZINC000494294384 1071601719 /nfs/dbraw/zinc/60/17/19/1071601719.db2.gz YYOPXPQGACVZJR-AWEZNQCLSA-N 1 2 423.532 -0.226 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@H+]1CCO ZINC000494294385 1071601867 /nfs/dbraw/zinc/60/18/67/1071601867.db2.gz YYOPXPQGACVZJR-CQSZACIVSA-N 1 2 423.532 -0.226 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC[N@@H+]1CCO ZINC000494294385 1071601862 /nfs/dbraw/zinc/60/18/62/1071601862.db2.gz YYOPXPQGACVZJR-CQSZACIVSA-N 1 2 423.532 -0.226 20 0 HBADLO O=C(NCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000494302127 1071601877 /nfs/dbraw/zinc/60/18/77/1071601877.db2.gz VZDMKBMFAYHRGF-AWEZNQCLSA-N 1 2 424.448 -0.009 20 0 HBADLO O=C(NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c(F)cccc1F ZINC000494302128 1071601555 /nfs/dbraw/zinc/60/15/55/1071601555.db2.gz VZDMKBMFAYHRGF-CQSZACIVSA-N 1 2 424.448 -0.009 20 0 HBADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370375 1071604540 /nfs/dbraw/zinc/60/45/40/1071604540.db2.gz QZGRYSRJIIWMPG-DLBZAZTESA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370375 1071604538 /nfs/dbraw/zinc/60/45/38/1071604538.db2.gz QZGRYSRJIIWMPG-DLBZAZTESA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370376 1071604531 /nfs/dbraw/zinc/60/45/31/1071604531.db2.gz QZGRYSRJIIWMPG-IAGOWNOFSA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370376 1071604528 /nfs/dbraw/zinc/60/45/28/1071604528.db2.gz QZGRYSRJIIWMPG-IAGOWNOFSA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370377 1071604565 /nfs/dbraw/zinc/60/45/65/1071604565.db2.gz QZGRYSRJIIWMPG-IRXDYDNUSA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370377 1071604563 /nfs/dbraw/zinc/60/45/63/1071604563.db2.gz QZGRYSRJIIWMPG-IRXDYDNUSA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370378 1071605331 /nfs/dbraw/zinc/60/53/31/1071605331.db2.gz QZGRYSRJIIWMPG-SJORKVTESA-N 1 2 416.544 -0.314 20 0 HBADLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000494370378 1071605327 /nfs/dbraw/zinc/60/53/27/1071605327.db2.gz QZGRYSRJIIWMPG-SJORKVTESA-N 1 2 416.544 -0.314 20 0 HBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000494394496 1071608884 /nfs/dbraw/zinc/60/88/84/1071608884.db2.gz FMWLZQSXDGCXCX-DEYYWGMASA-N 1 2 416.544 -0.050 20 0 HBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000494394497 1071608948 /nfs/dbraw/zinc/60/89/48/1071608948.db2.gz FMWLZQSXDGCXCX-GLJUWKHASA-N 1 2 416.544 -0.050 20 0 HBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000494394498 1071608917 /nfs/dbraw/zinc/60/89/17/1071608917.db2.gz FMWLZQSXDGCXCX-QWQRMKEZSA-N 1 2 416.544 -0.050 20 0 HBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000494394499 1071609008 /nfs/dbraw/zinc/60/90/08/1071609008.db2.gz FMWLZQSXDGCXCX-SUNYJGFJSA-N 1 2 416.544 -0.050 20 0 HBADLO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000494560809 1071613121 /nfs/dbraw/zinc/61/31/21/1071613121.db2.gz ZTYLHBGRNJKMKQ-KRWDZBQOSA-N 1 2 417.553 -0.470 20 0 HBADLO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000494560809 1071613118 /nfs/dbraw/zinc/61/31/18/1071613118.db2.gz ZTYLHBGRNJKMKQ-KRWDZBQOSA-N 1 2 417.553 -0.470 20 0 HBADLO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000494560814 1071613081 /nfs/dbraw/zinc/61/30/81/1071613081.db2.gz ZTYLHBGRNJKMKQ-QGZVFWFLSA-N 1 2 417.553 -0.470 20 0 HBADLO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)N1CCS(=O)(=O)CC1 ZINC000494560814 1071613073 /nfs/dbraw/zinc/61/30/73/1071613073.db2.gz ZTYLHBGRNJKMKQ-QGZVFWFLSA-N 1 2 417.553 -0.470 20 0 HBADLO CC(C)[C@@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1nc(-c2nc[nH]n2)no1 ZINC000494639034 1071616615 /nfs/dbraw/zinc/61/66/15/1071616615.db2.gz UAPSYQWTLQXMKI-GFCCVEGCSA-N 1 2 414.492 -0.461 20 0 HBADLO CC(C)[C@H]([NH2+]CC(=O)NCCCN(C)S(C)(=O)=O)c1nc(-c2nc[nH]n2)no1 ZINC000494639038 1071616773 /nfs/dbraw/zinc/61/67/73/1071616773.db2.gz UAPSYQWTLQXMKI-LBPRGKRZSA-N 1 2 414.492 -0.461 20 0 HBADLO CC(C)[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000494653886 1071618353 /nfs/dbraw/zinc/61/83/53/1071618353.db2.gz LPCYHOQDOROYNP-HNNXBMFYSA-N 1 2 419.490 -0.626 20 0 HBADLO CC(C)[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nc(-c2nc[nH]n2)no1 ZINC000494653887 1071618236 /nfs/dbraw/zinc/61/82/36/1071618236.db2.gz LPCYHOQDOROYNP-OAHLLOKOSA-N 1 2 419.490 -0.626 20 0 HBADLO CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494667029 1071617260 /nfs/dbraw/zinc/61/72/60/1071617260.db2.gz MTUNXPJFFGUCCK-CABCVRRESA-N 1 2 421.502 -0.646 20 0 HBADLO CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494667030 1071617267 /nfs/dbraw/zinc/61/72/67/1071617267.db2.gz MTUNXPJFFGUCCK-GJZGRUSLSA-N 1 2 421.502 -0.646 20 0 HBADLO CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494667031 1071617320 /nfs/dbraw/zinc/61/73/20/1071617320.db2.gz MTUNXPJFFGUCCK-HUUCEWRRSA-N 1 2 421.502 -0.646 20 0 HBADLO CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000494667033 1071617244 /nfs/dbraw/zinc/61/72/44/1071617244.db2.gz MTUNXPJFFGUCCK-LSDHHAIUSA-N 1 2 421.502 -0.646 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000494689771 1071619068 /nfs/dbraw/zinc/61/90/68/1071619068.db2.gz YAUGJGVGMXEVHA-AWEZNQCLSA-N 1 2 412.578 -0.824 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000494689771 1071619064 /nfs/dbraw/zinc/61/90/64/1071619064.db2.gz YAUGJGVGMXEVHA-AWEZNQCLSA-N 1 2 412.578 -0.824 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000494689776 1071619044 /nfs/dbraw/zinc/61/90/44/1071619044.db2.gz YAUGJGVGMXEVHA-CQSZACIVSA-N 1 2 412.578 -0.824 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCCCN(C(C)C)S(C)(=O)=O ZINC000494689776 1071619036 /nfs/dbraw/zinc/61/90/36/1071619036.db2.gz YAUGJGVGMXEVHA-CQSZACIVSA-N 1 2 412.578 -0.824 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000494713286 1071621224 /nfs/dbraw/zinc/62/12/24/1071621224.db2.gz XIIYRRRBOCGPKT-HNNXBMFYSA-N 1 2 417.576 -0.941 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000494713286 1071621218 /nfs/dbraw/zinc/62/12/18/1071621218.db2.gz XIIYRRRBOCGPKT-HNNXBMFYSA-N 1 2 417.576 -0.941 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000494713296 1071621174 /nfs/dbraw/zinc/62/11/74/1071621174.db2.gz XIIYRRRBOCGPKT-OAHLLOKOSA-N 1 2 417.576 -0.941 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 ZINC000494713296 1071621171 /nfs/dbraw/zinc/62/11/71/1071621171.db2.gz XIIYRRRBOCGPKT-OAHLLOKOSA-N 1 2 417.576 -0.941 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494722411 1071620638 /nfs/dbraw/zinc/62/06/38/1071620638.db2.gz ZOGGGPXUVWIBKO-AWEZNQCLSA-N 1 2 418.541 -0.994 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494722411 1071620636 /nfs/dbraw/zinc/62/06/36/1071620636.db2.gz ZOGGGPXUVWIBKO-AWEZNQCLSA-N 1 2 418.541 -0.994 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494722412 1071620574 /nfs/dbraw/zinc/62/05/74/1071620574.db2.gz ZOGGGPXUVWIBKO-CQSZACIVSA-N 1 2 418.541 -0.994 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494722412 1071620570 /nfs/dbraw/zinc/62/05/70/1071620570.db2.gz ZOGGGPXUVWIBKO-CQSZACIVSA-N 1 2 418.541 -0.994 20 0 HBADLO C[C@@H]1[C@H](CO)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494725914 1071621253 /nfs/dbraw/zinc/62/12/53/1071621253.db2.gz GNCICLRTOZBYJD-CVEARBPZSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H]1[C@H](CO)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494725915 1071621851 /nfs/dbraw/zinc/62/18/51/1071621851.db2.gz GNCICLRTOZBYJD-HOTGVXAUSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@@H]1[C@@H](CO)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494725916 1071621866 /nfs/dbraw/zinc/62/18/66/1071621866.db2.gz GNCICLRTOZBYJD-HZPDHXFCSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H]1[C@@H](CO)CCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000494725917 1071621791 /nfs/dbraw/zinc/62/17/91/1071621791.db2.gz GNCICLRTOZBYJD-JKSUJKDBSA-N 1 2 411.528 -0.054 20 0 HBADLO Cc1cc(N2CCC(NS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)nc(C)[nH+]1 ZINC000494788718 1071624640 /nfs/dbraw/zinc/62/46/40/1071624640.db2.gz UMITWOZMIHBINT-UHFFFAOYSA-N 1 2 408.484 -0.562 20 0 HBADLO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1nncn1C ZINC000494796213 1071625946 /nfs/dbraw/zinc/62/59/46/1071625946.db2.gz ANWIHQPALGLNOB-PBHICJAKSA-N 1 2 414.466 -0.024 20 0 HBADLO C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1nncn1C ZINC000494796214 1071625951 /nfs/dbraw/zinc/62/59/51/1071625951.db2.gz ANWIHQPALGLNOB-RHSMWYFYSA-N 1 2 414.466 -0.024 20 0 HBADLO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)c1nncn1C ZINC000494796215 1071625901 /nfs/dbraw/zinc/62/59/01/1071625901.db2.gz ANWIHQPALGLNOB-WMLDXEAASA-N 1 2 414.466 -0.024 20 0 HBADLO C[C@H]([NH2+]CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)c1nncn1C ZINC000494796216 1071625866 /nfs/dbraw/zinc/62/58/66/1071625866.db2.gz ANWIHQPALGLNOB-YOEHRIQHSA-N 1 2 414.466 -0.024 20 0 HBADLO Cn1cc([C@H](CO)[NH2+]CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cn1 ZINC000494801026 1071625912 /nfs/dbraw/zinc/62/59/12/1071625912.db2.gz RWCVPDJRXRCTGZ-HNNXBMFYSA-N 1 2 412.450 -0.583 20 0 HBADLO Cn1cc([C@@H](CO)[NH2+]CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)cn1 ZINC000494801027 1071625956 /nfs/dbraw/zinc/62/59/56/1071625956.db2.gz RWCVPDJRXRCTGZ-OAHLLOKOSA-N 1 2 412.450 -0.583 20 0 HBADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000494908151 1071632104 /nfs/dbraw/zinc/63/21/04/1071632104.db2.gz HQJLLCQTRSXSMW-KRWDZBQOSA-N 1 2 419.530 -0.075 20 0 HBADLO CC[C@H]1C[N@H+](CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000494908151 1071632101 /nfs/dbraw/zinc/63/21/01/1071632101.db2.gz HQJLLCQTRSXSMW-KRWDZBQOSA-N 1 2 419.530 -0.075 20 0 HBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000494908157 1071632231 /nfs/dbraw/zinc/63/22/31/1071632231.db2.gz HQJLLCQTRSXSMW-QGZVFWFLSA-N 1 2 419.530 -0.075 20 0 HBADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCO1 ZINC000494908157 1071632228 /nfs/dbraw/zinc/63/22/28/1071632228.db2.gz HQJLLCQTRSXSMW-QGZVFWFLSA-N 1 2 419.530 -0.075 20 0 HBADLO COC(=O)C[C@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000494926870 1071633153 /nfs/dbraw/zinc/63/31/53/1071633153.db2.gz WJCDSUXJKGTPEB-HNNXBMFYSA-N 1 2 413.496 -0.353 20 0 HBADLO COC(=O)C[C@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000494926870 1071633150 /nfs/dbraw/zinc/63/31/50/1071633150.db2.gz WJCDSUXJKGTPEB-HNNXBMFYSA-N 1 2 413.496 -0.353 20 0 HBADLO COC(=O)C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000494926871 1071633256 /nfs/dbraw/zinc/63/32/56/1071633256.db2.gz WJCDSUXJKGTPEB-OAHLLOKOSA-N 1 2 413.496 -0.353 20 0 HBADLO COC(=O)C[C@@H]1C[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCO1 ZINC000494926871 1071633252 /nfs/dbraw/zinc/63/32/52/1071633252.db2.gz WJCDSUXJKGTPEB-OAHLLOKOSA-N 1 2 413.496 -0.353 20 0 HBADLO COC(=O)C[C@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000494948200 1071633809 /nfs/dbraw/zinc/63/38/09/1071633809.db2.gz BBRZRPSMKBCEKI-AWEZNQCLSA-N 1 2 417.470 -0.724 20 0 HBADLO COC(=O)C[C@@H]1CN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CCO1 ZINC000494948202 1071633922 /nfs/dbraw/zinc/63/39/22/1071633922.db2.gz BBRZRPSMKBCEKI-CQSZACIVSA-N 1 2 417.470 -0.724 20 0 HBADLO CNC(=O)CCOC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1 ZINC000494971294 1071634978 /nfs/dbraw/zinc/63/49/78/1071634978.db2.gz HKNUNMRNUMFTNX-UHFFFAOYSA-N 1 2 409.487 -0.013 20 0 HBADLO CNC(=O)CCOC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000494973084 1071635007 /nfs/dbraw/zinc/63/50/07/1071635007.db2.gz HGXCWTHVWIMOFH-UHFFFAOYSA-N 1 2 423.514 -0.415 20 0 HBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000495019092 1071637932 /nfs/dbraw/zinc/63/79/32/1071637932.db2.gz PROFMHKZRHDVTD-CVEARBPZSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000495019092 1071637929 /nfs/dbraw/zinc/63/79/29/1071637929.db2.gz PROFMHKZRHDVTD-CVEARBPZSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000495019093 1071637917 /nfs/dbraw/zinc/63/79/17/1071637917.db2.gz PROFMHKZRHDVTD-HOTGVXAUSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CCO1 ZINC000495019093 1071637916 /nfs/dbraw/zinc/63/79/16/1071637916.db2.gz PROFMHKZRHDVTD-HOTGVXAUSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 ZINC000495019094 1071637905 /nfs/dbraw/zinc/63/79/05/1071637905.db2.gz PROFMHKZRHDVTD-HZPDHXFCSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 ZINC000495019094 1071637900 /nfs/dbraw/zinc/63/79/00/1071637900.db2.gz PROFMHKZRHDVTD-HZPDHXFCSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 ZINC000495019095 1071637943 /nfs/dbraw/zinc/63/79/43/1071637943.db2.gz PROFMHKZRHDVTD-JKSUJKDBSA-N 1 2 406.549 -0.115 20 0 HBADLO CC[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCO1 ZINC000495019095 1071637942 /nfs/dbraw/zinc/63/79/42/1071637942.db2.gz PROFMHKZRHDVTD-JKSUJKDBSA-N 1 2 406.549 -0.115 20 0 HBADLO C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495034749 1071640129 /nfs/dbraw/zinc/64/01/29/1071640129.db2.gz AHHUSXGEHVOUHG-HNNXBMFYSA-N 1 2 417.576 -0.436 20 0 HBADLO C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495034751 1071640089 /nfs/dbraw/zinc/64/00/89/1071640089.db2.gz AHHUSXGEHVOUHG-OAHLLOKOSA-N 1 2 417.576 -0.436 20 0 HBADLO Cn1nnc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495192468 1071651485 /nfs/dbraw/zinc/65/14/85/1071651485.db2.gz LEALSHIWNQBQPX-CYBMUJFWSA-N 1 2 402.463 -0.695 20 0 HBADLO Cn1nnc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495192468 1071651480 /nfs/dbraw/zinc/65/14/80/1071651480.db2.gz LEALSHIWNQBQPX-CYBMUJFWSA-N 1 2 402.463 -0.695 20 0 HBADLO Cn1nnc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000495192471 1071651466 /nfs/dbraw/zinc/65/14/66/1071651466.db2.gz LEALSHIWNQBQPX-ZDUSSCGKSA-N 1 2 402.463 -0.695 20 0 HBADLO Cn1nnc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000495192471 1071651460 /nfs/dbraw/zinc/65/14/60/1071651460.db2.gz LEALSHIWNQBQPX-ZDUSSCGKSA-N 1 2 402.463 -0.695 20 0 HBADLO CC[C@H]1C(=O)N(CC)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000495197893 1071652599 /nfs/dbraw/zinc/65/25/99/1071652599.db2.gz XNKKFZWPCFHOOG-INIZCTEOSA-N 1 2 414.514 -0.045 20 0 HBADLO CC[C@@H]1C(=O)N(CC)CCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000495197894 1071652664 /nfs/dbraw/zinc/65/26/64/1071652664.db2.gz XNKKFZWPCFHOOG-MRXNPFEDSA-N 1 2 414.514 -0.045 20 0 HBADLO Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(=O)[nH]c1=O ZINC000495217096 1071653793 /nfs/dbraw/zinc/65/37/93/1071653793.db2.gz HRAOUGWCPDIBQN-CYBMUJFWSA-N 1 2 415.454 -0.489 20 0 HBADLO Cn1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(=O)[nH]c1=O ZINC000495217096 1071653789 /nfs/dbraw/zinc/65/37/89/1071653789.db2.gz HRAOUGWCPDIBQN-CYBMUJFWSA-N 1 2 415.454 -0.489 20 0 HBADLO Cn1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(=O)[nH]c1=O ZINC000495217097 1071653712 /nfs/dbraw/zinc/65/37/12/1071653712.db2.gz HRAOUGWCPDIBQN-ZDUSSCGKSA-N 1 2 415.454 -0.489 20 0 HBADLO Cn1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c(=O)[nH]c1=O ZINC000495217097 1071653708 /nfs/dbraw/zinc/65/37/08/1071653708.db2.gz HRAOUGWCPDIBQN-ZDUSSCGKSA-N 1 2 415.454 -0.489 20 0 HBADLO O=C(NC[C@H]1COCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495240000 1071656028 /nfs/dbraw/zinc/65/60/28/1071656028.db2.gz PGAOZODNMITPTB-CVEARBPZSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@H]1COCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495240000 1071656022 /nfs/dbraw/zinc/65/60/22/1071656022.db2.gz PGAOZODNMITPTB-CVEARBPZSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@H]1COCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495240007 1071656142 /nfs/dbraw/zinc/65/61/42/1071656142.db2.gz PGAOZODNMITPTB-HOTGVXAUSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@H]1COCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495240007 1071656137 /nfs/dbraw/zinc/65/61/37/1071656137.db2.gz PGAOZODNMITPTB-HOTGVXAUSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@@H]1COCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495240010 1071656176 /nfs/dbraw/zinc/65/61/76/1071656176.db2.gz PGAOZODNMITPTB-HZPDHXFCSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@@H]1COCCO1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495240010 1071656168 /nfs/dbraw/zinc/65/61/68/1071656168.db2.gz PGAOZODNMITPTB-HZPDHXFCSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@@H]1COCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495240012 1071656318 /nfs/dbraw/zinc/65/63/18/1071656318.db2.gz PGAOZODNMITPTB-JKSUJKDBSA-N 1 2 406.487 -0.003 20 0 HBADLO O=C(NC[C@@H]1COCCO1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495240012 1071656313 /nfs/dbraw/zinc/65/63/13/1071656313.db2.gz PGAOZODNMITPTB-JKSUJKDBSA-N 1 2 406.487 -0.003 20 0 HBADLO CCN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C1=O ZINC000495246039 1071656842 /nfs/dbraw/zinc/65/68/42/1071656842.db2.gz FZGPQBCLQDGZJA-AWEZNQCLSA-N 1 2 400.487 -0.436 20 0 HBADLO CCN1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@H](C)C1=O ZINC000495246040 1071656760 /nfs/dbraw/zinc/65/67/60/1071656760.db2.gz FZGPQBCLQDGZJA-CQSZACIVSA-N 1 2 400.487 -0.436 20 0 HBADLO Cn1cnc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000495265928 1071658761 /nfs/dbraw/zinc/65/87/61/1071658761.db2.gz DLPWKBHXMMTACR-AWEZNQCLSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1cnc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000495265928 1071658756 /nfs/dbraw/zinc/65/87/56/1071658756.db2.gz DLPWKBHXMMTACR-AWEZNQCLSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1cnc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000495265932 1071658549 /nfs/dbraw/zinc/65/85/49/1071658549.db2.gz DLPWKBHXMMTACR-CQSZACIVSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1cnc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)c1 ZINC000495265932 1071658542 /nfs/dbraw/zinc/65/85/42/1071658542.db2.gz DLPWKBHXMMTACR-CQSZACIVSA-N 1 2 407.500 -0.006 20 0 HBADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCOCC1 ZINC000495272820 1071658818 /nfs/dbraw/zinc/65/88/18/1071658818.db2.gz PWUPVKGDRRGSON-HNNXBMFYSA-N 1 2 412.516 -0.551 20 0 HBADLO O=S(=O)(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCOCC1 ZINC000495272820 1071658805 /nfs/dbraw/zinc/65/88/05/1071658805.db2.gz PWUPVKGDRRGSON-HNNXBMFYSA-N 1 2 412.516 -0.551 20 0 HBADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCOCC1 ZINC000495272821 1071658671 /nfs/dbraw/zinc/65/86/71/1071658671.db2.gz PWUPVKGDRRGSON-OAHLLOKOSA-N 1 2 412.516 -0.551 20 0 HBADLO O=S(=O)(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCOCC1 ZINC000495272821 1071658667 /nfs/dbraw/zinc/65/86/67/1071658667.db2.gz PWUPVKGDRRGSON-OAHLLOKOSA-N 1 2 412.516 -0.551 20 0 HBADLO COCCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495273203 1071658789 /nfs/dbraw/zinc/65/87/89/1071658789.db2.gz VPWZWUVVBPDNPV-HNNXBMFYSA-N 1 2 414.532 -0.305 20 0 HBADLO COCCN(C)S(=O)(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495273203 1071658787 /nfs/dbraw/zinc/65/87/87/1071658787.db2.gz VPWZWUVVBPDNPV-HNNXBMFYSA-N 1 2 414.532 -0.305 20 0 HBADLO COCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495273204 1071658720 /nfs/dbraw/zinc/65/87/20/1071658720.db2.gz VPWZWUVVBPDNPV-OAHLLOKOSA-N 1 2 414.532 -0.305 20 0 HBADLO COCCN(C)S(=O)(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495273204 1071658715 /nfs/dbraw/zinc/65/87/15/1071658715.db2.gz VPWZWUVVBPDNPV-OAHLLOKOSA-N 1 2 414.532 -0.305 20 0 HBADLO Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495273497 1071659369 /nfs/dbraw/zinc/65/93/69/1071659369.db2.gz ZCFZKGHRFFINHL-AWEZNQCLSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1cc(S(=O)(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495273497 1071659364 /nfs/dbraw/zinc/65/93/64/1071659364.db2.gz ZCFZKGHRFFINHL-AWEZNQCLSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cn1 ZINC000495273498 1071659325 /nfs/dbraw/zinc/65/93/25/1071659325.db2.gz ZCFZKGHRFFINHL-CQSZACIVSA-N 1 2 407.500 -0.006 20 0 HBADLO Cn1cc(S(=O)(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)cn1 ZINC000495273498 1071659319 /nfs/dbraw/zinc/65/93/19/1071659319.db2.gz ZCFZKGHRFFINHL-CQSZACIVSA-N 1 2 407.500 -0.006 20 0 HBADLO CCCC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340166 1071666893 /nfs/dbraw/zinc/66/68/93/1071666893.db2.gz MDHIMZASJPVDOQ-INIZCTEOSA-N 1 2 415.560 -0.586 20 0 HBADLO CCCC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340167 1071666840 /nfs/dbraw/zinc/66/68/40/1071666840.db2.gz MDHIMZASJPVDOQ-MRXNPFEDSA-N 1 2 415.560 -0.586 20 0 HBADLO CCC(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340669 1071666938 /nfs/dbraw/zinc/66/69/38/1071666938.db2.gz XBPASIQAGULODM-INIZCTEOSA-N 1 2 415.560 -0.586 20 0 HBADLO CCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495340670 1071666951 /nfs/dbraw/zinc/66/69/51/1071666951.db2.gz XBPASIQAGULODM-MRXNPFEDSA-N 1 2 415.560 -0.586 20 0 HBADLO CCC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000495345600 1071667325 /nfs/dbraw/zinc/66/73/25/1071667325.db2.gz UKILERWFOWGMFQ-INIZCTEOSA-N 1 2 415.560 -0.729 20 0 HBADLO CCC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000495345601 1071667470 /nfs/dbraw/zinc/66/74/70/1071667470.db2.gz UKILERWFOWGMFQ-MRXNPFEDSA-N 1 2 415.560 -0.729 20 0 HBADLO CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495345631 1071667457 /nfs/dbraw/zinc/66/74/57/1071667457.db2.gz VGTOYMQYAAUVSI-INIZCTEOSA-N 1 2 415.560 -0.730 20 0 HBADLO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000495345632 1071667340 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O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495383809 1071673544 /nfs/dbraw/zinc/67/35/44/1071673544.db2.gz ATOPMICCXBVUBT-LSDHHAIUSA-N 1 2 424.527 -0.232 20 0 HBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495383809 1071673537 /nfs/dbraw/zinc/67/35/37/1071673537.db2.gz ATOPMICCXBVUBT-LSDHHAIUSA-N 1 2 424.527 -0.232 20 0 HBADLO O=C(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NC1CC1 ZINC000495391468 1071673944 /nfs/dbraw/zinc/67/39/44/1071673944.db2.gz PFYLUUNRGXFBKV-HNNXBMFYSA-N 1 2 403.487 -0.140 20 0 HBADLO O=C(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NC1CC1 ZINC000495391468 1071673935 /nfs/dbraw/zinc/67/39/35/1071673935.db2.gz PFYLUUNRGXFBKV-HNNXBMFYSA-N 1 2 403.487 -0.140 20 0 HBADLO O=C(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NC1CC1 ZINC000495391469 1071674020 /nfs/dbraw/zinc/67/40/20/1071674020.db2.gz PFYLUUNRGXFBKV-OAHLLOKOSA-N 1 2 403.487 -0.140 20 0 HBADLO O=C(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NC1CC1 ZINC000495391469 1071674008 /nfs/dbraw/zinc/67/40/08/1071674008.db2.gz PFYLUUNRGXFBKV-OAHLLOKOSA-N 1 2 403.487 -0.140 20 0 HBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCNC(=O)CC1 ZINC000495400698 1071674659 /nfs/dbraw/zinc/67/46/59/1071674659.db2.gz DUQNERJWAWMVET-HNNXBMFYSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCNC(=O)CC1 ZINC000495400698 1071674646 /nfs/dbraw/zinc/67/46/46/1071674646.db2.gz DUQNERJWAWMVET-HNNXBMFYSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)N1CCNC(=O)CC1 ZINC000495400699 1071674730 /nfs/dbraw/zinc/67/47/30/1071674730.db2.gz DUQNERJWAWMVET-OAHLLOKOSA-N 1 2 403.487 -0.187 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)N1CCNC(=O)CC1 ZINC000495400699 1071674729 /nfs/dbraw/zinc/67/47/29/1071674729.db2.gz DUQNERJWAWMVET-OAHLLOKOSA-N 1 2 403.487 -0.187 20 0 HBADLO NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 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/nfs/dbraw/zinc/67/47/20/1071674720.db2.gz NECLMJPBZOWMMD-HUUCEWRRSA-N 1 2 419.486 -0.822 20 0 HBADLO NC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCO1 ZINC000495401534 1071674712 /nfs/dbraw/zinc/67/47/12/1071674712.db2.gz NECLMJPBZOWMMD-LSDHHAIUSA-N 1 2 419.486 -0.822 20 0 HBADLO NC(=O)[C@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCO1 ZINC000495401534 1071674709 /nfs/dbraw/zinc/67/47/09/1071674709.db2.gz NECLMJPBZOWMMD-LSDHHAIUSA-N 1 2 419.486 -0.822 20 0 HBADLO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495415293 1071675299 /nfs/dbraw/zinc/67/52/99/1071675299.db2.gz OTRFHHIKJPKNSX-CABCVRRESA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@@H]1C(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495415293 1071675294 /nfs/dbraw/zinc/67/52/94/1071675294.db2.gz OTRFHHIKJPKNSX-CABCVRRESA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495415294 1071675283 /nfs/dbraw/zinc/67/52/83/1071675283.db2.gz OTRFHHIKJPKNSX-GJZGRUSLSA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@H]1C(=O)NCCN1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495415294 1071675280 /nfs/dbraw/zinc/67/52/80/1071675280.db2.gz OTRFHHIKJPKNSX-GJZGRUSLSA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495415295 1071675213 /nfs/dbraw/zinc/67/52/13/1071675213.db2.gz OTRFHHIKJPKNSX-HUUCEWRRSA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495415295 1071675207 /nfs/dbraw/zinc/67/52/07/1071675207.db2.gz OTRFHHIKJPKNSX-HUUCEWRRSA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000495415296 1071675028 /nfs/dbraw/zinc/67/50/28/1071675028.db2.gz OTRFHHIKJPKNSX-LSDHHAIUSA-N 1 2 403.487 -0.188 20 0 HBADLO C[C@H]1C(=O)NCCN1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000495415296 1071675018 /nfs/dbraw/zinc/67/50/18/1071675018.db2.gz OTRFHHIKJPKNSX-LSDHHAIUSA-N 1 2 403.487 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C[N@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2ncoc2-c2ccccc2)CCO1 ZINC000495860530 1071716038 /nfs/dbraw/zinc/71/60/38/1071716038.db2.gz AQRYWBHZASKVGY-HNNXBMFYSA-N 1 2 415.450 -0.398 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2ncoc2-c2ccccc2)CCO1 ZINC000495860530 1071716032 /nfs/dbraw/zinc/71/60/32/1071716032.db2.gz AQRYWBHZASKVGY-HNNXBMFYSA-N 1 2 415.450 -0.398 20 0 HBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2ncoc2-c2ccccc2)CCO1 ZINC000495860531 1071716405 /nfs/dbraw/zinc/71/64/05/1071716405.db2.gz AQRYWBHZASKVGY-OAHLLOKOSA-N 1 2 415.450 -0.398 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2ncoc2-c2ccccc2)CCO1 ZINC000495860531 1071716401 /nfs/dbraw/zinc/71/64/01/1071716401.db2.gz AQRYWBHZASKVGY-OAHLLOKOSA-N 1 2 415.450 -0.398 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000495927014 1071718284 /nfs/dbraw/zinc/71/82/84/1071718284.db2.gz IJFIIJWVEOTBAH-GOSISDBHSA-N 1 2 415.494 -0.145 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cn(C)nc1-c1ccccc1 ZINC000495927022 1071718329 /nfs/dbraw/zinc/71/83/29/1071718329.db2.gz IJFIIJWVEOTBAH-SFHVURJKSA-N 1 2 415.494 -0.145 20 0 HBADLO O=C(C[N@H+]1CCCN(C(=O)CSCC(=O)N2CCOCC2)CC1)N1CCCC1 ZINC000495937548 1071718424 /nfs/dbraw/zinc/71/84/24/1071718424.db2.gz QLPMXTQODIEVFU-UHFFFAOYSA-N 1 2 412.556 -0.265 20 0 HBADLO O=C(C[N@@H+]1CCCN(C(=O)CSCC(=O)N2CCOCC2)CC1)N1CCCC1 ZINC000495937548 1071718419 /nfs/dbraw/zinc/71/84/19/1071718419.db2.gz QLPMXTQODIEVFU-UHFFFAOYSA-N 1 2 412.556 -0.265 20 0 HBADLO COCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000495998999 1071719740 /nfs/dbraw/zinc/71/97/40/1071719740.db2.gz FZKALTKFVBKPGK-UHFFFAOYSA-N 1 2 410.496 -0.789 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 ZINC000496057481 1071722162 /nfs/dbraw/zinc/72/21/62/1071722162.db2.gz YSMIZMQDCPZHKU-DLBZAZTESA-N 1 2 407.471 -0.440 20 0 HBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496166312 1071747775 /nfs/dbraw/zinc/74/77/75/1071747775.db2.gz IBODWUPPWYKREB-BRWVUGGUSA-N 1 2 418.560 -0.021 20 0 HBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496166313 1071747651 /nfs/dbraw/zinc/74/76/51/1071747651.db2.gz IBODWUPPWYKREB-IKGGRYGDSA-N 1 2 418.560 -0.021 20 0 HBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000496166314 1071747669 /nfs/dbraw/zinc/74/76/69/1071747669.db2.gz IBODWUPPWYKREB-IXDOHACOSA-N 1 2 418.560 -0.021 20 0 HBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000496166315 1071747731 /nfs/dbraw/zinc/74/77/31/1071747731.db2.gz IBODWUPPWYKREB-ZACQAIPSSA-N 1 2 418.560 -0.021 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000496197699 1071748300 /nfs/dbraw/zinc/74/83/00/1071748300.db2.gz QECJARVNNIMEHU-UHFFFAOYSA-N 1 2 414.572 -0.019 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000496197699 1071748293 /nfs/dbraw/zinc/74/82/93/1071748293.db2.gz QECJARVNNIMEHU-UHFFFAOYSA-N 1 2 414.572 -0.019 20 0 HBADLO C[C@@H](C(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)n1cccn1 ZINC000496598070 1071757614 /nfs/dbraw/zinc/75/76/14/1071757614.db2.gz BMPMWMVGOQVZNQ-INIZCTEOSA-N 1 2 400.487 -0.369 20 0 HBADLO C[C@H](C(=O)N(C)CC(=O)NCC[NH+]1CCN(c2ncccn2)CC1)n1cccn1 ZINC000496598071 1071757520 /nfs/dbraw/zinc/75/75/20/1071757520.db2.gz BMPMWMVGOQVZNQ-MRXNPFEDSA-N 1 2 400.487 -0.369 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000496931795 1071764441 /nfs/dbraw/zinc/76/44/41/1071764441.db2.gz FYMCEDKZAPEQEL-HNNXBMFYSA-N 1 2 408.436 -0.209 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000496931795 1071764437 /nfs/dbraw/zinc/76/44/37/1071764437.db2.gz FYMCEDKZAPEQEL-HNNXBMFYSA-N 1 2 408.436 -0.209 20 0 HBADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000496955551 1071765013 /nfs/dbraw/zinc/76/50/13/1071765013.db2.gz KVTKJQDEDBXDRL-DLBZAZTESA-N 1 2 403.487 -0.574 20 0 HBADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000496955553 1071764739 /nfs/dbraw/zinc/76/47/39/1071764739.db2.gz KVTKJQDEDBXDRL-IAGOWNOFSA-N 1 2 403.487 -0.574 20 0 HBADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000496955555 1071764873 /nfs/dbraw/zinc/76/48/73/1071764873.db2.gz KVTKJQDEDBXDRL-IRXDYDNUSA-N 1 2 403.487 -0.574 20 0 HBADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000496955556 1071764952 /nfs/dbraw/zinc/76/49/52/1071764952.db2.gz KVTKJQDEDBXDRL-SJORKVTESA-N 1 2 403.487 -0.574 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000496957171 1071764854 /nfs/dbraw/zinc/76/48/54/1071764854.db2.gz UHGUQKVPXLXGHN-CYBMUJFWSA-N 1 2 405.542 -0.395 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 ZINC000496957175 1071765056 /nfs/dbraw/zinc/76/50/56/1071765056.db2.gz UHGUQKVPXLXGHN-ZDUSSCGKSA-N 1 2 405.542 -0.395 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000496957380 1071765478 /nfs/dbraw/zinc/76/54/78/1071765478.db2.gz VGJVZRMKOSTRGJ-INIZCTEOSA-N 1 2 411.418 -0.318 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000496957380 1071765472 /nfs/dbraw/zinc/76/54/72/1071765472.db2.gz VGJVZRMKOSTRGJ-INIZCTEOSA-N 1 2 411.418 -0.318 20 0 HBADLO CCCCS(=O)(=O)N1CCC(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000496958353 1071765565 /nfs/dbraw/zinc/76/55/65/1071765565.db2.gz ZZRDTTVNLYSSEV-KRWDZBQOSA-N 1 2 405.561 -0.020 20 0 HBADLO CCCCS(=O)(=O)N1CCC(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000496958354 1071765526 /nfs/dbraw/zinc/76/55/26/1071765526.db2.gz ZZRDTTVNLYSSEV-QGZVFWFLSA-N 1 2 405.561 -0.020 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000496986923 1071768042 /nfs/dbraw/zinc/76/80/42/1071768042.db2.gz DPTFFUHAZTVWJV-INIZCTEOSA-N 1 2 422.463 -0.055 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000496986923 1071768030 /nfs/dbraw/zinc/76/80/30/1071768030.db2.gz DPTFFUHAZTVWJV-INIZCTEOSA-N 1 2 422.463 -0.055 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000496988629 1071768171 /nfs/dbraw/zinc/76/81/71/1071768171.db2.gz OSPPWCCBNMFNNN-CRAIPNDOSA-N 1 2 403.483 -0.101 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000496988630 1071768246 /nfs/dbraw/zinc/76/82/46/1071768246.db2.gz OSPPWCCBNMFNNN-MAUKXSAKSA-N 1 2 403.483 -0.101 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000496988631 1071768430 /nfs/dbraw/zinc/76/84/30/1071768430.db2.gz OSPPWCCBNMFNNN-QAPCUYQASA-N 1 2 403.483 -0.101 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(N)=O ZINC000496988632 1071768287 /nfs/dbraw/zinc/76/82/87/1071768287.db2.gz OSPPWCCBNMFNNN-YJBOKZPZSA-N 1 2 403.483 -0.101 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000496988966 1071768415 /nfs/dbraw/zinc/76/84/15/1071768415.db2.gz RSQWCTDNJUYNMA-GWCFXTLKSA-N 1 2 412.472 -0.673 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000496988966 1071768407 /nfs/dbraw/zinc/76/84/07/1071768407.db2.gz RSQWCTDNJUYNMA-GWCFXTLKSA-N 1 2 412.472 -0.673 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000496988967 1071768001 /nfs/dbraw/zinc/76/80/01/1071768001.db2.gz RSQWCTDNJUYNMA-MFKMUULPSA-N 1 2 412.472 -0.673 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000496988967 1071767993 /nfs/dbraw/zinc/76/79/93/1071767993.db2.gz RSQWCTDNJUYNMA-MFKMUULPSA-N 1 2 412.472 -0.673 20 0 HBADLO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)c(C)c12 ZINC000496989034 1071768331 /nfs/dbraw/zinc/76/83/31/1071768331.db2.gz SZIUPRDXQUROJA-HNNXBMFYSA-N 1 2 405.499 -0.037 20 0 HBADLO Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)c(C)c12 ZINC000496989035 1071768125 /nfs/dbraw/zinc/76/81/25/1071768125.db2.gz SZIUPRDXQUROJA-OAHLLOKOSA-N 1 2 405.499 -0.037 20 0 HBADLO CCc1c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000496989140 1071768474 /nfs/dbraw/zinc/76/84/74/1071768474.db2.gz WIAQQXOOYHGXGX-ZDUSSCGKSA-N 1 2 414.422 -0.568 20 0 HBADLO CCc1c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)cnc2c1c(=O)n(C)c(=O)n2C ZINC000496989140 1071768469 /nfs/dbraw/zinc/76/84/69/1071768469.db2.gz WIAQQXOOYHGXGX-ZDUSSCGKSA-N 1 2 414.422 -0.568 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000497002609 1071768094 /nfs/dbraw/zinc/76/80/94/1071768094.db2.gz DNJVEXHRYWWOGY-LBPRGKRZSA-N 1 2 400.395 -0.822 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 ZINC000497002609 1071768077 /nfs/dbraw/zinc/76/80/77/1071768077.db2.gz DNJVEXHRYWWOGY-LBPRGKRZSA-N 1 2 400.395 -0.822 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000497003154 1071769752 /nfs/dbraw/zinc/76/97/52/1071769752.db2.gz GKUUUBYIYRVVEW-LBPRGKRZSA-N 1 2 400.395 -0.822 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C ZINC000497003154 1071769750 /nfs/dbraw/zinc/76/97/50/1071769750.db2.gz GKUUUBYIYRVVEW-LBPRGKRZSA-N 1 2 400.395 -0.822 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000497003695 1071768988 /nfs/dbraw/zinc/76/89/88/1071768988.db2.gz IHYMWDZJKVVAMQ-HNNXBMFYSA-N 1 2 404.467 -0.097 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000497003698 1071769079 /nfs/dbraw/zinc/76/90/79/1071769079.db2.gz IHYMWDZJKVVAMQ-OAHLLOKOSA-N 1 2 404.467 -0.097 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000497006025 1071769014 /nfs/dbraw/zinc/76/90/14/1071769014.db2.gz XPXYIJANRJXSDT-VIFPVBQESA-N 1 2 400.189 -0.665 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000497006025 1071769007 /nfs/dbraw/zinc/76/90/07/1071769007.db2.gz XPXYIJANRJXSDT-VIFPVBQESA-N 1 2 400.189 -0.665 20 0 HBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000497006074 1071769065 /nfs/dbraw/zinc/76/90/65/1071769065.db2.gz YUDBURVFNHZBGI-INIZCTEOSA-N 1 2 413.496 -0.681 20 0 HBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000497006075 1071769146 /nfs/dbraw/zinc/76/91/46/1071769146.db2.gz YUDBURVFNHZBGI-MRXNPFEDSA-N 1 2 413.496 -0.681 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000497034354 1071770816 /nfs/dbraw/zinc/77/08/16/1071770816.db2.gz IJHHGVFIPBWKIF-GOSISDBHSA-N 1 2 416.478 -0.790 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC000497034356 1071770975 /nfs/dbraw/zinc/77/09/75/1071770975.db2.gz IJHHGVFIPBWKIF-SFHVURJKSA-N 1 2 416.478 -0.790 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000497035584 1071770804 /nfs/dbraw/zinc/77/08/04/1071770804.db2.gz OLKBPNQIRLIPBR-GOSISDBHSA-N 1 2 419.526 -0.338 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000497035589 1071770856 /nfs/dbraw/zinc/77/08/56/1071770856.db2.gz OLKBPNQIRLIPBR-SFHVURJKSA-N 1 2 419.526 -0.338 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000497036939 1071770904 /nfs/dbraw/zinc/77/09/04/1071770904.db2.gz UYFHLTHEQGUSAK-CYBMUJFWSA-N 1 2 421.466 -0.215 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000497036946 1071770913 /nfs/dbraw/zinc/77/09/13/1071770913.db2.gz UYFHLTHEQGUSAK-ZDUSSCGKSA-N 1 2 421.466 -0.215 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000497037534 1071770946 /nfs/dbraw/zinc/77/09/46/1071770946.db2.gz WDEHQDHXURZRCC-KRWDZBQOSA-N 1 2 420.514 -0.943 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000497037539 1071770987 /nfs/dbraw/zinc/77/09/87/1071770987.db2.gz WDEHQDHXURZRCC-QGZVFWFLSA-N 1 2 420.514 -0.943 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000497038094 1071770832 /nfs/dbraw/zinc/77/08/32/1071770832.db2.gz YVNKDPINTBPIGV-DLBZAZTESA-N 1 2 419.478 -0.038 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000497038095 1071770922 /nfs/dbraw/zinc/77/09/22/1071770922.db2.gz YVNKDPINTBPIGV-IAGOWNOFSA-N 1 2 419.478 -0.038 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000497038096 1071770997 /nfs/dbraw/zinc/77/09/97/1071770997.db2.gz YVNKDPINTBPIGV-IRXDYDNUSA-N 1 2 419.478 -0.038 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O ZINC000497038097 1071770890 /nfs/dbraw/zinc/77/08/90/1071770890.db2.gz YVNKDPINTBPIGV-SJORKVTESA-N 1 2 419.478 -0.038 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000497047983 1071771526 /nfs/dbraw/zinc/77/15/26/1071771526.db2.gz BGMAYHKPAOVXHC-GXTWGEPZSA-N 1 2 404.489 -0.890 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000497047984 1071771566 /nfs/dbraw/zinc/77/15/66/1071771566.db2.gz BGMAYHKPAOVXHC-JSGCOSHPSA-N 1 2 404.489 -0.890 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000497050379 1071771620 /nfs/dbraw/zinc/77/16/20/1071771620.db2.gz QNNPGQOKDVMHCS-AWEZNQCLSA-N 1 2 403.476 -0.354 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCNS(=O)(=O)c1ccccc1F ZINC000497050380 1071771451 /nfs/dbraw/zinc/77/14/51/1071771451.db2.gz QNNPGQOKDVMHCS-CQSZACIVSA-N 1 2 403.476 -0.354 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000497050471 1071772035 /nfs/dbraw/zinc/77/20/35/1071772035.db2.gz RWELMFRPSSOYGQ-INIZCTEOSA-N 1 2 414.462 -0.225 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000497050472 1071772133 /nfs/dbraw/zinc/77/21/33/1071772133.db2.gz RWELMFRPSSOYGQ-MRXNPFEDSA-N 1 2 414.462 -0.225 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000497050999 1071772072 /nfs/dbraw/zinc/77/20/72/1071772072.db2.gz ZBQNTLGMJDVIQW-LLVKDONJSA-N 1 2 411.933 -0.169 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 ZINC000497051000 1071772209 /nfs/dbraw/zinc/77/22/09/1071772209.db2.gz ZBQNTLGMJDVIQW-NSHDSACASA-N 1 2 411.933 -0.169 20 0 HBADLO Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)c(=O)n2C ZINC000497327920 1071783160 /nfs/dbraw/zinc/78/31/60/1071783160.db2.gz WYWUFYXHBBKNEW-UHFFFAOYSA-N 1 2 412.450 -0.095 20 0 HBADLO CCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H](C)CS(C)(=O)=O ZINC000497365292 1071786653 /nfs/dbraw/zinc/78/66/53/1071786653.db2.gz MSWZYOWVHRDQDK-AWEZNQCLSA-N 1 2 423.543 -0.233 20 0 HBADLO CCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H](C)CS(C)(=O)=O ZINC000497365314 1071786827 /nfs/dbraw/zinc/78/68/27/1071786827.db2.gz MSWZYOWVHRDQDK-CQSZACIVSA-N 1 2 423.543 -0.233 20 0 HBADLO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497369381 1071787436 /nfs/dbraw/zinc/78/74/36/1071787436.db2.gz VSPUXYAXILBMSM-JTQLQIEISA-N 1 2 403.423 -0.048 20 0 HBADLO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497369395 1071787285 /nfs/dbraw/zinc/78/72/85/1071787285.db2.gz VSPUXYAXILBMSM-SNVBAGLBSA-N 1 2 403.423 -0.048 20 0 HBADLO COCCC(=O)N1CCC(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000497372226 1071787320 /nfs/dbraw/zinc/78/73/20/1071787320.db2.gz SFXJLDWSCKDXON-UHFFFAOYSA-N 1 2 419.530 -0.075 20 0 HBADLO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](CC(=O)N2CCNC(=O)C2)CC1 ZINC000497394850 1071790223 /nfs/dbraw/zinc/79/02/23/1071790223.db2.gz XBWTUJVONWQFDT-UHFFFAOYSA-N 1 2 400.423 -0.767 20 0 HBADLO COC(=O)CCNC(=O)C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000497421717 1071790153 /nfs/dbraw/zinc/79/01/53/1071790153.db2.gz YHPCQTRLOCSDMH-UHFFFAOYSA-N 1 2 403.423 -0.046 20 0 HBADLO CC(C)(CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)[NH+]1CCOCC1 ZINC000497431772 1071791900 /nfs/dbraw/zinc/79/19/00/1071791900.db2.gz HHBUEISEPZIHBS-UHFFFAOYSA-N 1 2 400.501 -0.124 20 0 HBADLO Cn1nncc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000497465562 1069109524 /nfs/dbraw/zinc/10/95/24/1069109524.db2.gz HFTMNMAGMAYHQH-AWEZNQCLSA-N 1 2 401.475 -0.090 20 0 HBADLO Cn1nncc1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000497465562 1069109515 /nfs/dbraw/zinc/10/95/15/1069109515.db2.gz HFTMNMAGMAYHQH-AWEZNQCLSA-N 1 2 401.475 -0.090 20 0 HBADLO Cn1nncc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000497465568 1071796636 /nfs/dbraw/zinc/79/66/36/1071796636.db2.gz HFTMNMAGMAYHQH-CQSZACIVSA-N 1 2 401.475 -0.090 20 0 HBADLO Cn1nncc1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000497465568 1071796626 /nfs/dbraw/zinc/79/66/26/1071796626.db2.gz HFTMNMAGMAYHQH-CQSZACIVSA-N 1 2 401.475 -0.090 20 0 HBADLO CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1COC[C@H]1O ZINC000497472568 1071794786 /nfs/dbraw/zinc/79/47/86/1071794786.db2.gz CGXXGBGTFUBWII-ARFHVFGLSA-N 1 2 406.487 -0.317 20 0 HBADLO CN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1COC[C@H]1O ZINC000497472568 1071794774 /nfs/dbraw/zinc/79/47/74/1071794774.db2.gz CGXXGBGTFUBWII-ARFHVFGLSA-N 1 2 406.487 -0.317 20 0 HBADLO CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H]1COC[C@H]1O ZINC000497472572 1071794712 /nfs/dbraw/zinc/79/47/12/1071794712.db2.gz CGXXGBGTFUBWII-BZUAXINKSA-N 1 2 406.487 -0.317 20 0 HBADLO CN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)[C@@H]1COC[C@H]1O ZINC000497472572 1071794706 /nfs/dbraw/zinc/79/47/06/1071794706.db2.gz CGXXGBGTFUBWII-BZUAXINKSA-N 1 2 406.487 -0.317 20 0 HBADLO COCCCNC(=O)C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000497486130 1071796468 /nfs/dbraw/zinc/79/64/68/1071796468.db2.gz MXQYKWQQXGNOAH-GFCCVEGCSA-N 1 2 409.487 -0.898 20 0 HBADLO COCCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000497486134 1071796448 /nfs/dbraw/zinc/79/64/48/1071796448.db2.gz MXQYKWQQXGNOAH-LBPRGKRZSA-N 1 2 409.487 -0.898 20 0 HBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCCCOC)CC2)c(=O)[nH]c1=O ZINC000497494375 1071798479 /nfs/dbraw/zinc/79/84/79/1071798479.db2.gz ZHUVDOZOUHZVRU-UHFFFAOYSA-N 1 2 409.487 -0.012 20 0 HBADLO CC(C)(CNC(=O)CN1CCC(N2CCS(=O)(=O)CC2)CC1)[NH+]1CCOCC1 ZINC000497571450 1071804255 /nfs/dbraw/zinc/80/42/55/1071804255.db2.gz PEXFEUYUALQXPO-UHFFFAOYSA-N 1 2 416.588 -0.592 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497585380 1071805728 /nfs/dbraw/zinc/80/57/28/1071805728.db2.gz OWXKKFFGBSEKFB-HNNXBMFYSA-N 1 2 414.528 -0.181 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497585381 1071805879 /nfs/dbraw/zinc/80/58/79/1071805879.db2.gz OWXKKFFGBSEKFB-OAHLLOKOSA-N 1 2 414.528 -0.181 20 0 HBADLO COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000497594478 1071806388 /nfs/dbraw/zinc/80/63/88/1071806388.db2.gz ZFOSPNFSGOGNBY-GOSISDBHSA-N 1 2 421.494 -0.424 20 0 HBADLO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000497594479 1071806519 /nfs/dbraw/zinc/80/65/19/1071806519.db2.gz ZFOSPNFSGOGNBY-SFHVURJKSA-N 1 2 421.494 -0.424 20 0 HBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCO[C@H](C(N)=O)C3)CC2)cc1OC ZINC000497608879 1071806361 /nfs/dbraw/zinc/80/63/61/1071806361.db2.gz SCWFFJXPYANBSZ-IBGZPJMESA-N 1 2 420.510 -0.157 20 0 HBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCO[C@@H](C(N)=O)C3)CC2)cc1OC ZINC000497608880 1071806288 /nfs/dbraw/zinc/80/62/88/1071806288.db2.gz SCWFFJXPYANBSZ-LJQANCHMSA-N 1 2 420.510 -0.157 20 0 HBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)c1cn(CCO)c(=O)[nH]c1=O ZINC000497655595 1071812146 /nfs/dbraw/zinc/81/21/46/1071812146.db2.gz MXSZQGPCXJNHGE-UHFFFAOYSA-N 1 2 418.450 -0.418 20 0 HBADLO O=C(NCCCc1nnc2n1CCCC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000497686085 1071813966 /nfs/dbraw/zinc/81/39/66/1071813966.db2.gz IUDVZCIBPAXZSJ-INIZCTEOSA-N 1 2 404.515 -0.156 20 0 HBADLO O=C(NCCCc1nnc2n1CCCC2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000497686086 1071814052 /nfs/dbraw/zinc/81/40/52/1071814052.db2.gz IUDVZCIBPAXZSJ-MRXNPFEDSA-N 1 2 404.515 -0.156 20 0 HBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)cc[nH+]1 ZINC000497706019 1071815759 /nfs/dbraw/zinc/81/57/59/1071815759.db2.gz UZKVKGMCCUSOLI-INIZCTEOSA-N 1 2 412.498 -0.048 20 0 HBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)CC2)cc[nH+]1 ZINC000497706220 1071815894 /nfs/dbraw/zinc/81/58/94/1071815894.db2.gz UZKVKGMCCUSOLI-MRXNPFEDSA-N 1 2 412.498 -0.048 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497710977 1071815290 /nfs/dbraw/zinc/81/52/90/1071815290.db2.gz DTMRIQWVFIYERD-HNNXBMFYSA-N 1 2 414.528 -0.181 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497710977 1071815284 /nfs/dbraw/zinc/81/52/84/1071815284.db2.gz DTMRIQWVFIYERD-HNNXBMFYSA-N 1 2 414.528 -0.181 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497710978 1071815096 /nfs/dbraw/zinc/81/50/96/1071815096.db2.gz DTMRIQWVFIYERD-OAHLLOKOSA-N 1 2 414.528 -0.181 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497710978 1071815094 /nfs/dbraw/zinc/81/50/94/1071815094.db2.gz DTMRIQWVFIYERD-OAHLLOKOSA-N 1 2 414.528 -0.181 20 0 HBADLO C[NH+](C)C1CN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 ZINC000497715655 1071816526 /nfs/dbraw/zinc/81/65/26/1071816526.db2.gz XECVBCPDRKZINA-HNNXBMFYSA-N 1 2 403.526 -0.459 20 0 HBADLO C[NH+](C)C1CN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)C1 ZINC000497715656 1071816463 /nfs/dbraw/zinc/81/64/63/1071816463.db2.gz XECVBCPDRKZINA-OAHLLOKOSA-N 1 2 403.526 -0.459 20 0 HBADLO CN(CC[NH+]1CCOCC1)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC000497728251 1071819202 /nfs/dbraw/zinc/81/92/02/1071819202.db2.gz GUKCRZXUVRMGQS-UHFFFAOYSA-N 1 2 414.528 -0.227 20 0 HBADLO COc1ccc2nc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)[nH]c2n1 ZINC000497759031 1071821685 /nfs/dbraw/zinc/82/16/85/1071821685.db2.gz OZAIVATZNBLCAQ-UHFFFAOYSA-N 1 2 409.516 -0.424 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1 ZINC000497777174 1071821732 /nfs/dbraw/zinc/82/17/32/1071821732.db2.gz XIVYNWCYBYRKKG-UHFFFAOYSA-N 1 2 402.542 -0.085 20 0 HBADLO CC(C)(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000497792601 1071822606 /nfs/dbraw/zinc/82/26/06/1071822606.db2.gz PIBCVPMJWKBLNC-UHFFFAOYSA-N 1 2 418.541 -0.527 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000497800055 1071824925 /nfs/dbraw/zinc/82/49/25/1071824925.db2.gz HXIWPJHNBXDFEW-CVEARBPZSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000497800055 1071824920 /nfs/dbraw/zinc/82/49/20/1071824920.db2.gz HXIWPJHNBXDFEW-CVEARBPZSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000497800057 1071825163 /nfs/dbraw/zinc/82/51/63/1071825163.db2.gz HXIWPJHNBXDFEW-HOTGVXAUSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000497800057 1071825159 /nfs/dbraw/zinc/82/51/59/1071825159.db2.gz HXIWPJHNBXDFEW-HOTGVXAUSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000497800058 1071825011 /nfs/dbraw/zinc/82/50/11/1071825011.db2.gz HXIWPJHNBXDFEW-HZPDHXFCSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@H](C)C1 ZINC000497800058 1071825003 /nfs/dbraw/zinc/82/50/03/1071825003.db2.gz HXIWPJHNBXDFEW-HZPDHXFCSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000497800060 1071824986 /nfs/dbraw/zinc/82/49/86/1071824986.db2.gz HXIWPJHNBXDFEW-JKSUJKDBSA-N 1 2 420.514 -0.399 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)[C@@H](C)C1 ZINC000497800060 1071824976 /nfs/dbraw/zinc/82/49/76/1071824976.db2.gz HXIWPJHNBXDFEW-JKSUJKDBSA-N 1 2 420.514 -0.399 20 0 HBADLO Cc1cc(NC(=O)CN(C)CC2(C[N@@H+](C)CC(=O)Nc3cc(C)on3)COC2)no1 ZINC000497840108 1071826537 /nfs/dbraw/zinc/82/65/37/1071826537.db2.gz WRTVBJMWRLEUKW-UHFFFAOYSA-N 1 2 420.470 -0.419 20 0 HBADLO Cc1cc(NC(=O)CN(C)CC2(C[N@H+](C)CC(=O)Nc3cc(C)on3)COC2)no1 ZINC000497840108 1071826534 /nfs/dbraw/zinc/82/65/34/1071826534.db2.gz WRTVBJMWRLEUKW-UHFFFAOYSA-N 1 2 420.470 -0.419 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@]1(O)CCSC1 ZINC000497894405 1069750774 /nfs/dbraw/zinc/75/07/74/1069750774.db2.gz BUASXPLECDIROK-INIZCTEOSA-N 1 2 400.526 -0.482 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@]1(O)CCSC1 ZINC000497894406 1069750797 /nfs/dbraw/zinc/75/07/97/1069750797.db2.gz BUASXPLECDIROK-MRXNPFEDSA-N 1 2 400.526 -0.482 20 0 HBADLO CCC(CC)[C@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[NH+]1CCOCC1 ZINC000498003324 1071839181 /nfs/dbraw/zinc/83/91/81/1071839181.db2.gz TZDAQPWIVADMFK-AWEZNQCLSA-N 1 2 402.517 -0.501 20 0 HBADLO CCC(CC)[C@@H](CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[NH+]1CCOCC1 ZINC000498003331 1071839355 /nfs/dbraw/zinc/83/93/55/1071839355.db2.gz TZDAQPWIVADMFK-CQSZACIVSA-N 1 2 402.517 -0.501 20 0 HBADLO O=C(C[NH+]1CCC(NC(=O)c2cn(CCO)c(=O)[nH]c2=O)CC1)Nc1ccccc1 ZINC000498047828 1071841753 /nfs/dbraw/zinc/84/17/53/1071841753.db2.gz PXTCMQJTBUURCB-UHFFFAOYSA-N 1 2 415.450 -0.226 20 0 HBADLO O=S(=O)(c1c[nH]c2ncccc12)N1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000498119765 1071848336 /nfs/dbraw/zinc/84/83/36/1071848336.db2.gz RUZWCLWKYCNFND-HNNXBMFYSA-N 1 2 409.512 -0.438 20 0 HBADLO O=S(=O)(c1c[nH]c2ncccc12)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000498119766 1071848435 /nfs/dbraw/zinc/84/84/35/1071848435.db2.gz RUZWCLWKYCNFND-OAHLLOKOSA-N 1 2 409.512 -0.438 20 0 HBADLO CN1C(=O)C(=O)N(CC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)C1=O ZINC000498156293 1071853543 /nfs/dbraw/zinc/85/35/43/1071853543.db2.gz NTUKKJHEZFPQHV-UHFFFAOYSA-N 1 2 404.423 -0.566 20 0 HBADLO CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000498169169 1071855724 /nfs/dbraw/zinc/85/57/24/1071855724.db2.gz AVGQCXACQDXKRX-KRWDZBQOSA-N 1 2 415.560 -0.682 20 0 HBADLO CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000498169170 1071855749 /nfs/dbraw/zinc/85/57/49/1071855749.db2.gz AVGQCXACQDXKRX-QGZVFWFLSA-N 1 2 415.560 -0.682 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000498173883 1071854440 /nfs/dbraw/zinc/85/44/40/1071854440.db2.gz UIGWARSOUZFRDY-UHFFFAOYSA-N 1 2 420.433 -0.106 20 0 HBADLO Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498176498 1071854966 /nfs/dbraw/zinc/85/49/66/1071854966.db2.gz OONUNCAWYBXYBK-AWEZNQCLSA-N 1 2 412.560 -0.223 20 0 HBADLO CC(=O)NCCCCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498178287 1071857630 /nfs/dbraw/zinc/85/76/30/1071857630.db2.gz KPDCIQXZOHJXLP-UHFFFAOYSA-N 1 2 403.549 -0.681 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)sn1 ZINC000498183267 1071856640 /nfs/dbraw/zinc/85/66/40/1071856640.db2.gz PEPGBJQNZGJVLW-UHFFFAOYSA-N 1 2 416.529 -0.974 20 0 HBADLO C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498190894 1071859098 /nfs/dbraw/zinc/85/90/98/1071859098.db2.gz FIVHTXIOTPTJCW-CVEARBPZSA-N 1 2 404.533 -0.793 20 0 HBADLO C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498190895 1071859405 /nfs/dbraw/zinc/85/94/05/1071859405.db2.gz FIVHTXIOTPTJCW-HOTGVXAUSA-N 1 2 404.533 -0.793 20 0 HBADLO C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498190896 1071859463 /nfs/dbraw/zinc/85/94/63/1071859463.db2.gz FIVHTXIOTPTJCW-HZPDHXFCSA-N 1 2 404.533 -0.793 20 0 HBADLO C[C@H](OC[C@H]1CCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498190897 1071859264 /nfs/dbraw/zinc/85/92/64/1071859264.db2.gz FIVHTXIOTPTJCW-JKSUJKDBSA-N 1 2 404.533 -0.793 20 0 HBADLO C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498193080 1071859312 /nfs/dbraw/zinc/85/93/12/1071859312.db2.gz RGCATFUZCWRTJT-DLBZAZTESA-N 1 2 418.560 -0.403 20 0 HBADLO C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498193081 1071859432 /nfs/dbraw/zinc/85/94/32/1071859432.db2.gz RGCATFUZCWRTJT-IAGOWNOFSA-N 1 2 418.560 -0.403 20 0 HBADLO C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498193082 1071859371 /nfs/dbraw/zinc/85/93/71/1071859371.db2.gz RGCATFUZCWRTJT-IRXDYDNUSA-N 1 2 418.560 -0.403 20 0 HBADLO C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498193083 1071859152 /nfs/dbraw/zinc/85/91/52/1071859152.db2.gz RGCATFUZCWRTJT-SJORKVTESA-N 1 2 418.560 -0.403 20 0 HBADLO CC(=O)c1cccc(OCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000498196559 1071860108 /nfs/dbraw/zinc/86/01/08/1071860108.db2.gz UVQDPWYVXBYQRF-UHFFFAOYSA-N 1 2 424.523 -0.096 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000498200406 1071858662 /nfs/dbraw/zinc/85/86/62/1071858662.db2.gz HNXXZYUFLWFHCK-UHFFFAOYSA-N 1 2 424.527 -0.032 20 0 HBADLO O=C(CNCC(F)(F)F)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498204785 1071861522 /nfs/dbraw/zinc/86/15/22/1071861522.db2.gz XDXWFHWSPHJNCV-UHFFFAOYSA-N 1 2 409.434 -0.199 20 0 HBADLO CN1CCN(C(=O)c2cc(NC(=O)NC[C@](C)(O)C[NH+]3CCOCC3)ccn2)CC1 ZINC000498214669 1071862748 /nfs/dbraw/zinc/86/27/48/1071862748.db2.gz WCJXJJJHROCKKT-FQEVSTJZSA-N 1 2 420.514 -0.326 20 0 HBADLO CN1CCN(C(=O)c2cc(NC(=O)NC[C@@](C)(O)C[NH+]3CCOCC3)ccn2)CC1 ZINC000498214670 1071862775 /nfs/dbraw/zinc/86/27/75/1071862775.db2.gz WCJXJJJHROCKKT-HXUWFJFHSA-N 1 2 420.514 -0.326 20 0 HBADLO CCS(=O)(=O)NCCCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000498214777 1071864271 /nfs/dbraw/zinc/86/42/71/1071864271.db2.gz XSMKUZAVVBEEOH-UHFFFAOYSA-N 1 2 412.516 -0.080 20 0 HBADLO CN1C(=O)C(=O)N(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C1=O ZINC000498218044 1071862962 /nfs/dbraw/zinc/86/29/62/1071862962.db2.gz CDHMIXKVAFYXDZ-UHFFFAOYSA-N 1 2 404.423 -0.566 20 0 HBADLO NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000498227051 1071866907 /nfs/dbraw/zinc/86/69/07/1071866907.db2.gz HECCENWYNMJWRF-ILXRZTDVSA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000498227051 1071866899 /nfs/dbraw/zinc/86/68/99/1071866899.db2.gz HECCENWYNMJWRF-ILXRZTDVSA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000498227056 1071866946 /nfs/dbraw/zinc/86/69/46/1071866946.db2.gz HECCENWYNMJWRF-KKUMJFAQSA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000498227056 1071866930 /nfs/dbraw/zinc/86/69/30/1071866930.db2.gz HECCENWYNMJWRF-KKUMJFAQSA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000498227060 1071867009 /nfs/dbraw/zinc/86/70/09/1071867009.db2.gz HECCENWYNMJWRF-QLFBSQMISA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000498227060 1071867003 /nfs/dbraw/zinc/86/70/03/1071867003.db2.gz HECCENWYNMJWRF-QLFBSQMISA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)O1 ZINC000498227062 1071867112 /nfs/dbraw/zinc/86/71/12/1071867112.db2.gz HECCENWYNMJWRF-SOUVJXGZSA-N 1 2 404.471 -0.569 20 0 HBADLO NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)O1 ZINC000498227062 1071867108 /nfs/dbraw/zinc/86/71/08/1071867108.db2.gz HECCENWYNMJWRF-SOUVJXGZSA-N 1 2 404.471 -0.569 20 0 HBADLO Cn1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000498232609 1071869893 /nfs/dbraw/zinc/86/98/93/1071869893.db2.gz XXEYCACPIJLJGW-UHFFFAOYSA-N 1 2 407.500 -0.234 20 0 HBADLO CNC(=O)CN1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000498234383 1071871012 /nfs/dbraw/zinc/87/10/12/1071871012.db2.gz HFRRHOIGOOENNG-UHFFFAOYSA-N 1 2 403.487 -0.635 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cnc21 ZINC000498461703 1070955790 /nfs/dbraw/zinc/95/57/90/1070955790.db2.gz GRNDEERAASFUGG-UHFFFAOYSA-N 1 2 414.466 -0.196 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cnc21 ZINC000498461703 1070955783 /nfs/dbraw/zinc/95/57/83/1070955783.db2.gz GRNDEERAASFUGG-UHFFFAOYSA-N 1 2 414.466 -0.196 20 0 HBADLO COCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498466736 1071914673 /nfs/dbraw/zinc/91/46/73/1071914673.db2.gz VMVLONIKGIZPBF-UHFFFAOYSA-N 1 2 410.496 -0.789 20 0 HBADLO COCCN1CCN(C(=O)CSCC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000498469532 1071914858 /nfs/dbraw/zinc/91/48/58/1071914858.db2.gz KNHDZHRSZGXFEQ-UHFFFAOYSA-N 1 2 402.561 -0.699 20 0 HBADLO CC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](O)C(F)(F)F ZINC000498501653 1071919756 /nfs/dbraw/zinc/91/97/56/1071919756.db2.gz VLYUZKJJAPBQTP-CHWSQXEVSA-N 1 2 407.393 -0.028 20 0 HBADLO CC[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](O)C(F)(F)F ZINC000498501655 1071919657 /nfs/dbraw/zinc/91/96/57/1071919657.db2.gz VLYUZKJJAPBQTP-OLZOCXBDSA-N 1 2 407.393 -0.028 20 0 HBADLO CC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](O)C(F)(F)F ZINC000498501657 1071919783 /nfs/dbraw/zinc/91/97/83/1071919783.db2.gz VLYUZKJJAPBQTP-QWHCGFSZSA-N 1 2 407.393 -0.028 20 0 HBADLO CC[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](O)C(F)(F)F ZINC000498501658 1071919574 /nfs/dbraw/zinc/91/95/74/1071919574.db2.gz VLYUZKJJAPBQTP-STQMWFEESA-N 1 2 407.393 -0.028 20 0 HBADLO CC(C)NC(=O)CN(C)CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498560396 1071934060 /nfs/dbraw/zinc/93/40/60/1071934060.db2.gz NVPIQJYGFRUMOF-UHFFFAOYSA-N 1 2 419.530 -0.582 20 0 HBADLO CC(C)NC(=O)CN(C)CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498560396 1071934058 /nfs/dbraw/zinc/93/40/58/1071934058.db2.gz NVPIQJYGFRUMOF-UHFFFAOYSA-N 1 2 419.530 -0.582 20 0 HBADLO Cn1cc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1C(N)=O ZINC000498561341 1070986977 /nfs/dbraw/zinc/98/69/77/1070986977.db2.gz WSVBIZPTHWANCB-UHFFFAOYSA-N 1 2 420.495 -0.464 20 0 HBADLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000498618561 1071942581 /nfs/dbraw/zinc/94/25/81/1071942581.db2.gz GGIQUHMAMCUORF-UHFFFAOYSA-N 1 2 410.434 -0.240 20 0 HBADLO CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](O)C(F)(F)F ZINC000498666284 1071951567 /nfs/dbraw/zinc/95/15/67/1071951567.db2.gz GYNNPFZVVQGGID-AAEUAGOBSA-N 1 2 407.393 -0.028 20 0 HBADLO CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](O)C(F)(F)F ZINC000498666285 1069644852 /nfs/dbraw/zinc/64/48/52/1069644852.db2.gz GYNNPFZVVQGGID-DGCLKSJQSA-N 1 2 407.393 -0.028 20 0 HBADLO CC[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](O)C(F)(F)F ZINC000498666286 1071951669 /nfs/dbraw/zinc/95/16/69/1071951669.db2.gz GYNNPFZVVQGGID-WCQYABFASA-N 1 2 407.393 -0.028 20 0 HBADLO CC[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](O)C(F)(F)F ZINC000498666287 1069644661 /nfs/dbraw/zinc/64/46/61/1069644661.db2.gz GYNNPFZVVQGGID-YPMHNXCESA-N 1 2 407.393 -0.028 20 0 HBADLO C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000498683932 1071952230 /nfs/dbraw/zinc/95/22/30/1071952230.db2.gz YHRJFYLDCIPRQV-INIZCTEOSA-N 1 2 417.510 -0.576 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000498683933 1071952176 /nfs/dbraw/zinc/95/21/76/1071952176.db2.gz YHRJFYLDCIPRQV-MRXNPFEDSA-N 1 2 417.510 -0.576 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000498693861 1071953977 /nfs/dbraw/zinc/95/39/77/1071953977.db2.gz BRSJCVFNAYJESP-AWEZNQCLSA-N 1 2 405.455 -0.783 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000498693866 1071954004 /nfs/dbraw/zinc/95/40/04/1071954004.db2.gz BRSJCVFNAYJESP-CQSZACIVSA-N 1 2 405.455 -0.783 20 0 HBADLO CCc1cnccc1CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000498712353 1071959917 /nfs/dbraw/zinc/95/99/17/1071959917.db2.gz XFIHZPWXKZXRNS-UHFFFAOYSA-N 1 2 410.544 -0.037 20 0 HBADLO Cn1nnnc1SCCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000498727107 1071962014 /nfs/dbraw/zinc/96/20/14/1071962014.db2.gz HIBQFVCRNZAVKP-UHFFFAOYSA-N 1 2 404.500 -0.058 20 0 HBADLO CN(CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000498739469 1071963683 /nfs/dbraw/zinc/96/36/83/1071963683.db2.gz UKNZXJPEJZFPRC-INIZCTEOSA-N 1 2 423.539 -0.645 20 0 HBADLO CN(CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000498739470 1071963673 /nfs/dbraw/zinc/96/36/73/1071963673.db2.gz UKNZXJPEJZFPRC-MRXNPFEDSA-N 1 2 423.539 -0.645 20 0 HBADLO NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000498754912 1071966342 /nfs/dbraw/zinc/96/63/42/1071966342.db2.gz LESBCGDASGQYAJ-UHFFFAOYSA-N 1 2 407.452 -0.209 20 0 HBADLO C[C@H](O)C(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000498779615 1071969137 /nfs/dbraw/zinc/96/91/37/1071969137.db2.gz CQULKVHADJMMQX-INIZCTEOSA-N 1 2 403.483 -0.438 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000498779616 1071969030 /nfs/dbraw/zinc/96/90/30/1071969030.db2.gz CQULKVHADJMMQX-MRXNPFEDSA-N 1 2 403.483 -0.438 20 0 HBADLO COC(=O)CC1CC[NH+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000498812218 1071979511 /nfs/dbraw/zinc/97/95/11/1071979511.db2.gz OWFBWHIKOXEADK-INIZCTEOSA-N 1 2 401.529 -0.407 20 0 HBADLO COC(=O)CC1CC[NH+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000498812221 1071979598 /nfs/dbraw/zinc/97/95/98/1071979598.db2.gz OWFBWHIKOXEADK-MRXNPFEDSA-N 1 2 401.529 -0.407 20 0 HBADLO O=S(=O)(CCCN1CCOCC1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000498852664 1071985468 /nfs/dbraw/zinc/98/54/68/1071985468.db2.gz VBDOGWMKKZALQO-UHFFFAOYSA-N 1 2 412.560 -0.370 20 0 HBADLO O=C(NC[C@@H]1CCCS1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498867507 1071988843 /nfs/dbraw/zinc/98/88/43/1071988843.db2.gz OZENSKGMHHXQOS-HNNXBMFYSA-N 1 2 420.539 -0.026 20 0 HBADLO O=C(NC[C@@H]1CCCS1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498867507 1071988838 /nfs/dbraw/zinc/98/88/38/1071988838.db2.gz OZENSKGMHHXQOS-HNNXBMFYSA-N 1 2 420.539 -0.026 20 0 HBADLO O=C(NC[C@H]1CCCS1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000498867508 1071988722 /nfs/dbraw/zinc/98/87/22/1071988722.db2.gz OZENSKGMHHXQOS-OAHLLOKOSA-N 1 2 420.539 -0.026 20 0 HBADLO O=C(NC[C@H]1CCCS1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000498867508 1071988716 /nfs/dbraw/zinc/98/87/16/1071988716.db2.gz OZENSKGMHHXQOS-OAHLLOKOSA-N 1 2 420.539 -0.026 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(Cc2ccc(C[NH+]3CCN(C(=O)[C@@H](C)O)CC3)cc2)CC1 ZINC000498905903 1071992229 /nfs/dbraw/zinc/99/22/29/1071992229.db2.gz ROCJKGPKDYAWLO-QZTJIDSGSA-N 1 2 418.538 -0.263 20 0 HBADLO C[C@H](O)C(=O)N1CCN(Cc2ccc(C[NH+]3CCN(C(=O)[C@H](C)O)CC3)cc2)CC1 ZINC000498905904 1071992266 /nfs/dbraw/zinc/99/22/66/1071992266.db2.gz ROCJKGPKDYAWLO-ROUUACIJSA-N 1 2 418.538 -0.263 20 0 HBADLO O=C1NC2(CCCC2)C(=O)N1CCCNS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000498906640 1071992367 /nfs/dbraw/zinc/99/23/67/1071992367.db2.gz ALWWAUNKISULAF-UHFFFAOYSA-N 1 2 402.517 -0.117 20 0 HBADLO C[C@@H](O)C(=O)N1CC[NH+](Cc2cccc(CN3CCN(C(=O)[C@H](C)O)CC3)c2)CC1 ZINC000498917649 1071993370 /nfs/dbraw/zinc/99/33/70/1071993370.db2.gz XHJNZYWAFGQHFF-HDICACEKSA-N 1 2 418.538 -0.263 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(Cc2cccc(C[NH+]3CCN(C(=O)[C@H](C)O)CC3)c2)CC1 ZINC000498917649 1071993367 /nfs/dbraw/zinc/99/33/67/1071993367.db2.gz XHJNZYWAFGQHFF-HDICACEKSA-N 1 2 418.538 -0.263 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(Cc2cccc(C[NH+]3CCN(C(=O)[C@@H](C)O)CC3)c2)CC1 ZINC000498917650 1071993361 /nfs/dbraw/zinc/99/33/61/1071993361.db2.gz XHJNZYWAFGQHFF-QZTJIDSGSA-N 1 2 418.538 -0.263 20 0 HBADLO C[C@H](O)C(=O)N1CCN(Cc2cccc(C[NH+]3CCN(C(=O)[C@H](C)O)CC3)c2)CC1 ZINC000498917651 1071993427 /nfs/dbraw/zinc/99/34/27/1071993427.db2.gz XHJNZYWAFGQHFF-ROUUACIJSA-N 1 2 418.538 -0.263 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(Cc2ccccc2C[NH+]2CCN(C(=O)[C@@H](C)O)CC2)CC1 ZINC000498918538 1071994010 /nfs/dbraw/zinc/99/40/10/1071994010.db2.gz NVBFKPAVYNQQFX-QZTJIDSGSA-N 1 2 418.538 -0.263 20 0 HBADLO C[C@H](O)C(=O)N1CCN(Cc2ccccc2C[NH+]2CCN(C(=O)[C@H](C)O)CC2)CC1 ZINC000498918539 1071993939 /nfs/dbraw/zinc/99/39/39/1071993939.db2.gz NVBFKPAVYNQQFX-ROUUACIJSA-N 1 2 418.538 -0.263 20 0 HBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(C(=O)[C@H](C)O)CC3)CC2)cc1 ZINC000498919149 1071993999 /nfs/dbraw/zinc/99/39/99/1071993999.db2.gz RQZGURHKCMFUMO-KRWDZBQOSA-N 1 2 404.511 -0.136 20 0 HBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(C(=O)[C@@H](C)O)CC3)CC2)cc1 ZINC000498919152 1071993923 /nfs/dbraw/zinc/99/39/23/1071993923.db2.gz RQZGURHKCMFUMO-QGZVFWFLSA-N 1 2 404.511 -0.136 20 0 HBADLO C[C@H](O)C(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000498928509 1071996024 /nfs/dbraw/zinc/99/60/24/1071996024.db2.gz KDWGXGGBLFVZBP-KRWDZBQOSA-N 1 2 404.511 -0.340 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000498928510 1071996040 /nfs/dbraw/zinc/99/60/40/1071996040.db2.gz KDWGXGGBLFVZBP-QGZVFWFLSA-N 1 2 404.511 -0.340 20 0 HBADLO C[C@H](O)C(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000498935681 1071995968 /nfs/dbraw/zinc/99/59/68/1071995968.db2.gz LTXPEOAJQVFCGZ-KRWDZBQOSA-N 1 2 416.522 -0.209 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000498935682 1071996064 /nfs/dbraw/zinc/99/60/64/1071996064.db2.gz LTXPEOAJQVFCGZ-QGZVFWFLSA-N 1 2 416.522 -0.209 20 0 HBADLO CCC[C@H]1C(=O)NCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000498941435 1071997211 /nfs/dbraw/zinc/99/72/11/1071997211.db2.gz ZKJDPZLILHYHSP-HNNXBMFYSA-N 1 2 400.487 -0.388 20 0 HBADLO CCC[C@@H]1C(=O)NCCN1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000498941436 1071997239 /nfs/dbraw/zinc/99/72/39/1071997239.db2.gz ZKJDPZLILHYHSP-OAHLLOKOSA-N 1 2 400.487 -0.388 20 0 HBADLO COC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498983691 1072003169 /nfs/dbraw/zinc/00/31/69/1072003169.db2.gz JMUVFNFBCJGXPP-CVEARBPZSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498983691 1072003161 /nfs/dbraw/zinc/00/31/61/1072003161.db2.gz JMUVFNFBCJGXPP-CVEARBPZSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498983692 1072003314 /nfs/dbraw/zinc/00/33/14/1072003314.db2.gz JMUVFNFBCJGXPP-HOTGVXAUSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498983692 1072003303 /nfs/dbraw/zinc/00/33/03/1072003303.db2.gz JMUVFNFBCJGXPP-HOTGVXAUSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498983693 1072007534 /nfs/dbraw/zinc/00/75/34/1072007534.db2.gz JMUVFNFBCJGXPP-HZPDHXFCSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498983693 1072007521 /nfs/dbraw/zinc/00/75/21/1072007521.db2.gz JMUVFNFBCJGXPP-HZPDHXFCSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000498983694 1072007476 /nfs/dbraw/zinc/00/74/76/1072007476.db2.gz JMUVFNFBCJGXPP-JKSUJKDBSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000498983694 1072007463 /nfs/dbraw/zinc/00/74/63/1072007463.db2.gz JMUVFNFBCJGXPP-JKSUJKDBSA-N 1 2 408.503 -0.021 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCOC)CC2)ccc1F ZINC000499015877 1072008913 /nfs/dbraw/zinc/00/89/13/1072008913.db2.gz PJQJGJJQCXHFML-UHFFFAOYSA-N 1 2 402.448 -0.537 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000499016100 1072009038 /nfs/dbraw/zinc/00/90/38/1072009038.db2.gz KCLZMUNUANLDNN-UHFFFAOYSA-N 1 2 416.475 -0.195 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)CC1 ZINC000499016705 1072008940 /nfs/dbraw/zinc/00/89/40/1072008940.db2.gz MKOUDOAPXCUKQV-UHFFFAOYSA-N 1 2 413.496 -0.031 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000499019155 1072009084 /nfs/dbraw/zinc/00/90/84/1072009084.db2.gz JUXOVHOAOLXBEQ-UHFFFAOYSA-N 1 2 416.475 -0.147 20 0 HBADLO CCN1CCN(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C(=O)C1=O ZINC000499021546 1072009569 /nfs/dbraw/zinc/00/95/69/1072009569.db2.gz IQJAFAIZQSVETP-UHFFFAOYSA-N 1 2 418.494 -0.296 20 0 HBADLO Cn1c(=O)ccn(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1=O ZINC000499025378 1072010058 /nfs/dbraw/zinc/01/00/58/1072010058.db2.gz GLNFNVBKIGUAAQ-UHFFFAOYSA-N 1 2 402.451 -0.426 20 0 HBADLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC000499043767 1072012904 /nfs/dbraw/zinc/01/29/04/1072012904.db2.gz KLPCONMVJGBCKL-UHFFFAOYSA-N 1 2 421.567 -0.075 20 0 HBADLO CCS(=O)(=O)C[C@H](C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000499053361 1072014155 /nfs/dbraw/zinc/01/41/55/1072014155.db2.gz JRRRWCCYKNIXSC-AWEZNQCLSA-N 1 2 423.543 -0.233 20 0 HBADLO CCS(=O)(=O)C[C@@H](C)N(C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000499053364 1072013833 /nfs/dbraw/zinc/01/38/33/1072013833.db2.gz JRRRWCCYKNIXSC-CQSZACIVSA-N 1 2 423.543 -0.233 20 0 HBADLO COC[C@@H](O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499082688 1072015876 /nfs/dbraw/zinc/01/58/76/1072015876.db2.gz GAICYLWRBVSVSF-HNNXBMFYSA-N 1 2 415.516 -0.770 20 0 HBADLO COC[C@H](O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499082691 1072015830 /nfs/dbraw/zinc/01/58/30/1072015830.db2.gz GAICYLWRBVSVSF-OAHLLOKOSA-N 1 2 415.516 -0.770 20 0 HBADLO CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C)CS(=O)(=O)CC ZINC000499150876 1072021363 /nfs/dbraw/zinc/02/13/63/1072021363.db2.gz WUVCGDHPKILWRP-CVEARBPZSA-N 1 2 403.545 -0.161 20 0 HBADLO CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)CS(=O)(=O)CC ZINC000499150879 1072021177 /nfs/dbraw/zinc/02/11/77/1072021177.db2.gz WUVCGDHPKILWRP-HOTGVXAUSA-N 1 2 403.545 -0.161 20 0 HBADLO CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C)CS(=O)(=O)CC ZINC000499150880 1072021285 /nfs/dbraw/zinc/02/12/85/1072021285.db2.gz WUVCGDHPKILWRP-HZPDHXFCSA-N 1 2 403.545 -0.161 20 0 HBADLO CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)CS(=O)(=O)CC ZINC000499150881 1071069074 /nfs/dbraw/zinc/06/90/74/1071069074.db2.gz WUVCGDHPKILWRP-JKSUJKDBSA-N 1 2 403.545 -0.161 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000499347096 1072163928 /nfs/dbraw/zinc/16/39/28/1072163928.db2.gz PWLMQKRIPRKJLA-CVEARBPZSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCO1 ZINC000499347096 1072163920 /nfs/dbraw/zinc/16/39/20/1072163920.db2.gz PWLMQKRIPRKJLA-CVEARBPZSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000499347097 1072164163 /nfs/dbraw/zinc/16/41/63/1072164163.db2.gz PWLMQKRIPRKJLA-HOTGVXAUSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCO1 ZINC000499347097 1072164158 /nfs/dbraw/zinc/16/41/58/1072164158.db2.gz PWLMQKRIPRKJLA-HOTGVXAUSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000499347098 1072164104 /nfs/dbraw/zinc/16/41/04/1072164104.db2.gz PWLMQKRIPRKJLA-HZPDHXFCSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCO1 ZINC000499347098 1072164086 /nfs/dbraw/zinc/16/40/86/1072164086.db2.gz PWLMQKRIPRKJLA-HZPDHXFCSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCO1 ZINC000499347100 1072164185 /nfs/dbraw/zinc/16/41/85/1072164185.db2.gz PWLMQKRIPRKJLA-JKSUJKDBSA-N 1 2 418.498 -0.355 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCO1 ZINC000499347100 1072164182 /nfs/dbraw/zinc/16/41/82/1072164182.db2.gz PWLMQKRIPRKJLA-JKSUJKDBSA-N 1 2 418.498 -0.355 20 0 HBADLO NC(=O)c1cccnc1N1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000499636723 1069278635 /nfs/dbraw/zinc/27/86/35/1069278635.db2.gz ORZBOINAFVDBIC-UHFFFAOYSA-N 1 2 407.434 -0.207 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1F ZINC000499646851 1069281445 /nfs/dbraw/zinc/28/14/45/1069281445.db2.gz DYOQVENRCJPWFB-NSHDSACASA-N 1 2 402.448 -0.803 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000499646863 1069281475 /nfs/dbraw/zinc/28/14/75/1069281475.db2.gz FFAIUORRAAWERM-LBPRGKRZSA-N 1 2 416.475 -0.461 20 0 HBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000499648169 1069281831 /nfs/dbraw/zinc/28/18/31/1069281831.db2.gz LLAXLDBHPIXCAU-UHFFFAOYSA-N 1 2 400.483 -0.037 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)CC1 ZINC000499649144 1069282077 /nfs/dbraw/zinc/28/20/77/1069282077.db2.gz KCYXEXWRBXJRAO-LBPRGKRZSA-N 1 2 406.414 -0.057 20 0 HBADLO COc1ccc(CS(C)(=O)=O)cc1NC(=O)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000499652919 1069282524 /nfs/dbraw/zinc/28/25/24/1069282524.db2.gz VTFLOJTWUFBMBB-ZDUSSCGKSA-N 1 2 413.496 -0.297 20 0 HBADLO C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000499654918 1069283714 /nfs/dbraw/zinc/28/37/14/1069283714.db2.gz CDAQXQPKJWZARO-CABCVRRESA-N 1 2 401.529 -0.409 20 0 HBADLO C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000499654919 1069283596 /nfs/dbraw/zinc/28/35/96/1069283596.db2.gz CDAQXQPKJWZARO-GJZGRUSLSA-N 1 2 401.529 -0.409 20 0 HBADLO C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000499654920 1069283727 /nfs/dbraw/zinc/28/37/27/1069283727.db2.gz CDAQXQPKJWZARO-HUUCEWRRSA-N 1 2 401.529 -0.409 20 0 HBADLO C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000499654921 1069283616 /nfs/dbraw/zinc/28/36/16/1069283616.db2.gz CDAQXQPKJWZARO-LSDHHAIUSA-N 1 2 401.529 -0.409 20 0 HBADLO Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1=O ZINC000499681809 1069313542 /nfs/dbraw/zinc/31/35/42/1069313542.db2.gz XPVFFSQLRQGIKK-HNNXBMFYSA-N 1 2 409.450 -0.009 20 0 HBADLO Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NCc2ccn3cc[nH+]c3c2)C1=O ZINC000499681810 1069313475 /nfs/dbraw/zinc/31/34/75/1069313475.db2.gz XPVFFSQLRQGIKK-OAHLLOKOSA-N 1 2 409.450 -0.009 20 0 HBADLO COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CC[NH+](CCO)CC3)nc(=O)c12 ZINC000499687747 1069315568 /nfs/dbraw/zinc/31/55/68/1069315568.db2.gz SJUAVYYAHDXGKI-UHFFFAOYSA-N 1 2 424.479 -0.403 20 0 HBADLO NS(=O)(=O)Cc1ccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000499705845 1069321734 /nfs/dbraw/zinc/32/17/34/1069321734.db2.gz YYHOSEFWVQWOSD-UHFFFAOYSA-N 1 2 404.496 -0.183 20 0 HBADLO COCCOc1ccccc1S(=O)(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000499709434 1069322980 /nfs/dbraw/zinc/32/29/80/1069322980.db2.gz SCTXJLWIZVGTJM-AWEZNQCLSA-N 1 2 401.485 -0.482 20 0 HBADLO COCCOc1ccccc1S(=O)(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000499709434 1069322969 /nfs/dbraw/zinc/32/29/69/1069322969.db2.gz SCTXJLWIZVGTJM-AWEZNQCLSA-N 1 2 401.485 -0.482 20 0 HBADLO COCCOc1ccccc1S(=O)(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000499709435 1069323636 /nfs/dbraw/zinc/32/36/36/1069323636.db2.gz SCTXJLWIZVGTJM-CQSZACIVSA-N 1 2 401.485 -0.482 20 0 HBADLO COCCOc1ccccc1S(=O)(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000499709435 1069323621 /nfs/dbraw/zinc/32/36/21/1069323621.db2.gz SCTXJLWIZVGTJM-CQSZACIVSA-N 1 2 401.485 -0.482 20 0 HBADLO CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1Br ZINC000499747120 1069334169 /nfs/dbraw/zinc/33/41/69/1069334169.db2.gz DYCIDRGSAKBFHS-UHFFFAOYSA-N 1 2 413.272 -0.116 20 0 HBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1F ZINC000499753097 1069335064 /nfs/dbraw/zinc/33/50/64/1069335064.db2.gz ZBJLDQCZYPMQBT-UHFFFAOYSA-N 1 2 402.448 -0.849 20 0 HBADLO COC(=O)CCN1CC[C@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000499765536 1069337290 /nfs/dbraw/zinc/33/72/90/1069337290.db2.gz RXHDPDQWJLOROO-KBXCAEBGSA-N 1 2 414.528 -0.343 20 0 HBADLO COC(=O)CCN1CC[C@@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000499765537 1069337113 /nfs/dbraw/zinc/33/71/13/1069337113.db2.gz RXHDPDQWJLOROO-KDOFPFPSSA-N 1 2 414.528 -0.343 20 0 HBADLO COC(=O)CCN1CC[C@H](NC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000499765538 1069337442 /nfs/dbraw/zinc/33/74/42/1069337442.db2.gz RXHDPDQWJLOROO-KSSFIOAISA-N 1 2 414.528 -0.343 20 0 HBADLO COC(=O)CCN1CC[C@@H](NC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1=O ZINC000499765539 1069337146 /nfs/dbraw/zinc/33/71/46/1069337146.db2.gz RXHDPDQWJLOROO-RDTXWAMCSA-N 1 2 414.528 -0.343 20 0 HBADLO C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H](C)[N@@H+]1CCN1CCCS1(=O)=O ZINC000499769042 1069338708 /nfs/dbraw/zinc/33/87/08/1069338708.db2.gz ZLTVGZXANYZYLH-IYBDPMFKSA-N 1 2 408.590 -0.548 20 0 HBADLO C[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H](C)[N@H+]1CCN1CCCS1(=O)=O ZINC000499769042 1069338694 /nfs/dbraw/zinc/33/86/94/1069338694.db2.gz ZLTVGZXANYZYLH-IYBDPMFKSA-N 1 2 408.590 -0.548 20 0 HBADLO COC(=O)CCN1CC[C@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000499796683 1069347883 /nfs/dbraw/zinc/34/78/83/1069347883.db2.gz NHFFWTVWPKTIJF-HNNXBMFYSA-N 1 2 419.486 -0.938 20 0 HBADLO COC(=O)CCN1CC[C@@H](NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)C1=O ZINC000499796699 1069347995 /nfs/dbraw/zinc/34/79/95/1069347995.db2.gz NHFFWTVWPKTIJF-OAHLLOKOSA-N 1 2 419.486 -0.938 20 0 HBADLO O=C(C(=O)N1CC[NH+](CCO)CC1)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499842975 1069355523 /nfs/dbraw/zinc/35/55/23/1069355523.db2.gz SKDJOWBIYSNXGA-CVEARBPZSA-N 1 2 416.478 -0.842 20 0 HBADLO O=C(C(=O)N1CC[NH+](CCO)CC1)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000499842982 1069355469 /nfs/dbraw/zinc/35/54/69/1069355469.db2.gz SKDJOWBIYSNXGA-HOTGVXAUSA-N 1 2 416.478 -0.842 20 0 HBADLO O=C(C(=O)N1CC[NH+](CCO)CC1)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499842986 1069355641 /nfs/dbraw/zinc/35/56/41/1069355641.db2.gz SKDJOWBIYSNXGA-HZPDHXFCSA-N 1 2 416.478 -0.842 20 0 HBADLO O=C(C(=O)N1CC[NH+](CCO)CC1)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 ZINC000499842990 1069355336 /nfs/dbraw/zinc/35/53/36/1069355336.db2.gz SKDJOWBIYSNXGA-JKSUJKDBSA-N 1 2 416.478 -0.842 20 0 HBADLO COC(=O)CCN1CC[C@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC000499869199 1069357564 /nfs/dbraw/zinc/35/75/64/1069357564.db2.gz ZSYVEPCZUTULTN-HNNXBMFYSA-N 1 2 408.459 -0.499 20 0 HBADLO COC(=O)CCN1CC[C@@H](NC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1=O ZINC000499869202 1069357632 /nfs/dbraw/zinc/35/76/32/1069357632.db2.gz ZSYVEPCZUTULTN-OAHLLOKOSA-N 1 2 408.459 -0.499 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)[C@H](C)O)cc1 ZINC000499876911 1069358830 /nfs/dbraw/zinc/35/88/30/1069358830.db2.gz NGUFRFIJPUNSGJ-BQFCYCMXSA-N 1 2 412.556 -0.225 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)O)cc1 ZINC000499876913 1069358445 /nfs/dbraw/zinc/35/84/45/1069358445.db2.gz NGUFRFIJPUNSGJ-JZXOWHBKSA-N 1 2 412.556 -0.225 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)[C@@H](C)O)cc1 ZINC000499876914 1069358503 /nfs/dbraw/zinc/35/85/03/1069358503.db2.gz NGUFRFIJPUNSGJ-NUJGCVRESA-N 1 2 412.556 -0.225 20 0 HBADLO 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C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499951978 1069369276 /nfs/dbraw/zinc/36/92/76/1069369276.db2.gz PKIQDCPZCRHIFJ-KBXCAEBGSA-N 1 2 403.483 -0.488 20 0 HBADLO C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499951979 1069369053 /nfs/dbraw/zinc/36/90/53/1069369053.db2.gz PKIQDCPZCRHIFJ-KDOFPFPSSA-N 1 2 403.483 -0.488 20 0 HBADLO C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499951980 1069369107 /nfs/dbraw/zinc/36/91/07/1069369107.db2.gz PKIQDCPZCRHIFJ-KSSFIOAISA-N 1 2 403.483 -0.488 20 0 HBADLO C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000499951981 1069369353 /nfs/dbraw/zinc/36/93/53/1069369353.db2.gz PKIQDCPZCRHIFJ-RDTXWAMCSA-N 1 2 403.483 -0.488 20 0 HBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000500040048 1069114911 /nfs/dbraw/zinc/11/49/11/1069114911.db2.gz QZBJIRZFWFPTQG-HNNXBMFYSA-N 1 2 416.569 -0.005 20 0 HBADLO 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C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000504579923 1069726472 /nfs/dbraw/zinc/72/64/72/1069726472.db2.gz YZGVMTSOULBJRO-IJEWVQPXSA-N 1 2 406.487 -0.791 20 0 HBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000504579924 1069726573 /nfs/dbraw/zinc/72/65/73/1069726573.db2.gz YZGVMTSOULBJRO-LZWOXQAQSA-N 1 2 406.487 -0.791 20 0 HBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H](C)O1 ZINC000504579924 1069726564 /nfs/dbraw/zinc/72/65/64/1069726564.db2.gz YZGVMTSOULBJRO-LZWOXQAQSA-N 1 2 406.487 -0.791 20 0 HBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc[nH+]1 ZINC000504591487 1069734040 /nfs/dbraw/zinc/73/40/40/1069734040.db2.gz INXGKICNLWOFMP-HNNXBMFYSA-N 1 2 412.454 -0.911 20 0 HBADLO Cc1nc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)cc[nH+]1 ZINC000504591488 1069734373 /nfs/dbraw/zinc/73/43/73/1069734373.db2.gz INXGKICNLWOFMP-OAHLLOKOSA-N 1 2 412.454 -0.911 20 0 HBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504597609 1069731394 /nfs/dbraw/zinc/73/13/94/1069731394.db2.gz MGRJRXUCDKRGKO-HNNXBMFYSA-N 1 2 406.487 -0.789 20 0 HBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000504597609 1069731379 /nfs/dbraw/zinc/73/13/79/1069731379.db2.gz MGRJRXUCDKRGKO-HNNXBMFYSA-N 1 2 406.487 -0.789 20 0 HBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504597610 1069731325 /nfs/dbraw/zinc/73/13/25/1069731325.db2.gz MGRJRXUCDKRGKO-OAHLLOKOSA-N 1 2 406.487 -0.789 20 0 HBADLO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000504597610 1069731313 /nfs/dbraw/zinc/73/13/13/1069731313.db2.gz MGRJRXUCDKRGKO-OAHLLOKOSA-N 1 2 406.487 -0.789 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504598804 1069731852 /nfs/dbraw/zinc/73/18/52/1069731852.db2.gz RXFIOWPWDVMOBB-INIZCTEOSA-N 1 2 406.487 -0.789 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504598805 1069732123 /nfs/dbraw/zinc/73/21/23/1069732123.db2.gz RXFIOWPWDVMOBB-MRXNPFEDSA-N 1 2 406.487 -0.789 20 0 HBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1C ZINC000504602696 1069731881 /nfs/dbraw/zinc/73/18/81/1069731881.db2.gz AKGZAFXBQAYDIU-HNNXBMFYSA-N 1 2 408.503 -0.261 20 0 HBADLO CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1C ZINC000504602697 1069732050 /nfs/dbraw/zinc/73/20/50/1069732050.db2.gz AKGZAFXBQAYDIU-OAHLLOKOSA-N 1 2 408.503 -0.261 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000504608438 1069736233 /nfs/dbraw/zinc/73/62/33/1069736233.db2.gz SQKDCNRSMNVKFH-UHFFFAOYSA-N 1 2 424.531 -0.134 20 0 HBADLO CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(=O)NCc2n[nH]c(=O)[nH]2)c1 ZINC000504612495 1069735288 /nfs/dbraw/zinc/73/52/88/1069735288.db2.gz FXHNDPKRVCRWIQ-UHFFFAOYSA-N 1 2 403.443 -0.163 20 0 HBADLO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000504668345 1069737625 /nfs/dbraw/zinc/73/76/25/1069737625.db2.gz GWOWZWPCXMAIHP-UHFFFAOYSA-N 1 2 403.443 -0.084 20 0 HBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1)[NH+]1CCOCC1 ZINC000504854526 1069742390 /nfs/dbraw/zinc/74/23/90/1069742390.db2.gz WHTBGBKQFFGFTI-HNNXBMFYSA-N 1 2 404.467 -0.319 20 0 HBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)c1)[NH+]1CCOCC1 ZINC000504854527 1069742162 /nfs/dbraw/zinc/74/21/62/1069742162.db2.gz WHTBGBKQFFGFTI-OAHLLOKOSA-N 1 2 404.467 -0.319 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)c2)CC1 ZINC000504866328 1069745197 /nfs/dbraw/zinc/74/51/97/1069745197.db2.gz XXEPKFWAYILJCO-UHFFFAOYSA-N 1 2 403.483 -0.964 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000504888506 1069746616 /nfs/dbraw/zinc/74/66/16/1069746616.db2.gz PHSQWOGGNQDQSB-UHFFFAOYSA-N 1 2 417.510 -0.574 20 0 HBADLO COC(=O)c1cn(CCNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1 ZINC000505043767 1069749672 /nfs/dbraw/zinc/74/96/72/1069749672.db2.gz HJPRIAHAHFXFMZ-UHFFFAOYSA-N 1 2 414.430 -0.727 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000505085926 1069752047 /nfs/dbraw/zinc/75/20/47/1069752047.db2.gz RFAQLYKHDSBMCT-BZUAXINKSA-N 1 2 414.532 -0.047 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000505085927 1069751735 /nfs/dbraw/zinc/75/17/35/1069751735.db2.gz RFAQLYKHDSBMCT-OAGGEKHMSA-N 1 2 414.532 -0.047 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000505085928 1069752087 /nfs/dbraw/zinc/75/20/87/1069752087.db2.gz RFAQLYKHDSBMCT-PMPSAXMXSA-N 1 2 414.532 -0.047 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000505145016 1069754744 /nfs/dbraw/zinc/75/47/44/1069754744.db2.gz AWUSEXQFWKEQRT-DOTOQJQBSA-N 1 2 406.487 -0.885 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000505145017 1069754989 /nfs/dbraw/zinc/75/49/89/1069754989.db2.gz AWUSEXQFWKEQRT-NVXWUHKLSA-N 1 2 406.487 -0.885 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000505145018 1069754719 /nfs/dbraw/zinc/75/47/19/1069754719.db2.gz AWUSEXQFWKEQRT-RDJZCZTQSA-N 1 2 406.487 -0.885 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000505145019 1069754821 /nfs/dbraw/zinc/75/48/21/1069754821.db2.gz AWUSEXQFWKEQRT-WBVHZDCISA-N 1 2 406.487 -0.885 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)c2)CC1 ZINC000505160549 1069754271 /nfs/dbraw/zinc/75/42/71/1069754271.db2.gz VNDNZZSYZDIPPD-UHFFFAOYSA-N 1 2 413.482 -0.358 20 0 HBADLO CC(C)N1CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000505164144 1069754925 /nfs/dbraw/zinc/75/49/25/1069754925.db2.gz DPQAGGDIOOKHKM-UHFFFAOYSA-N 1 2 416.482 -0.513 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000505227152 1069756930 /nfs/dbraw/zinc/75/69/30/1069756930.db2.gz SZQNAMVHLRJHLQ-UHFFFAOYSA-N 1 2 401.427 -0.566 20 0 HBADLO C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000505254965 1069758516 /nfs/dbraw/zinc/75/85/16/1069758516.db2.gz PTTISCQTZRIHTR-IAGOWNOFSA-N 1 2 423.539 -0.125 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCOCCO)cc2)CC1 ZINC000505341137 1069761879 /nfs/dbraw/zinc/76/18/79/1069761879.db2.gz DFPJCGAPQYSGNH-UHFFFAOYSA-N 1 2 406.483 -0.196 20 0 HBADLO COCc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000505351865 1069762633 /nfs/dbraw/zinc/76/26/33/1069762633.db2.gz UQXKIGLQBWXMDV-UHFFFAOYSA-N 1 2 403.530 -0.461 20 0 HBADLO CC(=O)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505368849 1069763754 /nfs/dbraw/zinc/76/37/54/1069763754.db2.gz PTGKNOHCCNGXFA-INIZCTEOSA-N 1 2 401.533 -0.976 20 0 HBADLO CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505368850 1069763713 /nfs/dbraw/zinc/76/37/13/1069763713.db2.gz PTGKNOHCCNGXFA-MRXNPFEDSA-N 1 2 401.533 -0.976 20 0 HBADLO Cc1cnc(COCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000505369451 1069763792 /nfs/dbraw/zinc/76/37/92/1069763792.db2.gz YWHOWBQOKZUGSL-UHFFFAOYSA-N 1 2 401.489 -0.864 20 0 HBADLO CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000505401244 1069764428 /nfs/dbraw/zinc/76/44/28/1069764428.db2.gz DKQIETMEKNRSIX-HOCLYGCPSA-N 1 2 403.549 -0.826 20 0 HBADLO Cn1c2ncn(CC(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)c2c(=O)n(C)c1=O ZINC000505452744 1069804691 /nfs/dbraw/zinc/80/46/91/1069804691.db2.gz FEOREUAZDOCKJO-AWEZNQCLSA-N 1 2 400.414 -0.254 20 0 HBADLO Cn1c2ncn(CC(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)c2c(=O)n(C)c1=O ZINC000505452745 1069804441 /nfs/dbraw/zinc/80/44/41/1069804441.db2.gz FEOREUAZDOCKJO-CQSZACIVSA-N 1 2 400.414 -0.254 20 0 HBADLO O=C(CN1CC[NH+]([C@H]2CCCN(Cc3ccccc3)C2=O)CC1)N1CCNC(=O)C1 ZINC000505463522 1069806689 /nfs/dbraw/zinc/80/66/89/1069806689.db2.gz CDKWIEOLOFXKPL-IBGZPJMESA-N 1 2 413.522 -0.246 20 0 HBADLO O=C(CN1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1)N1CCNC(=O)C1 ZINC000505463523 1069807207 /nfs/dbraw/zinc/80/72/07/1069807207.db2.gz CDKWIEOLOFXKPL-LJQANCHMSA-N 1 2 413.522 -0.246 20 0 HBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH2+][C@H](c3cccc(F)c3)C1)c(=O)n2C ZINC000505482922 1069814239 /nfs/dbraw/zinc/81/42/39/1069814239.db2.gz DLFCJWXYRXOUCH-AWEZNQCLSA-N 1 2 400.414 -0.254 20 0 HBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH2+][C@@H](c3cccc(F)c3)C1)c(=O)n2C ZINC000505482923 1069813943 /nfs/dbraw/zinc/81/39/43/1069813943.db2.gz DLFCJWXYRXOUCH-CQSZACIVSA-N 1 2 400.414 -0.254 20 0 HBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](c3cccc(F)c3)C2)o1 ZINC000505484871 1069815102 /nfs/dbraw/zinc/81/51/02/1069815102.db2.gz VSUULASFYQDXFU-CYBMUJFWSA-N 1 2 410.427 -0.031 20 0 HBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@H](c3cccc(F)c3)C2)o1 ZINC000505484872 1069814883 /nfs/dbraw/zinc/81/48/83/1069814883.db2.gz VSUULASFYQDXFU-ZDUSSCGKSA-N 1 2 410.427 -0.031 20 0 HBADLO 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406.483 -0.464 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000506273138 1070154881 /nfs/dbraw/zinc/15/48/81/1070154881.db2.gz USFBOULGPFKSKZ-UHFFFAOYSA-N 1 2 418.541 -0.574 20 0 HBADLO NC(=O)c1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)on1 ZINC000506343220 1070177225 /nfs/dbraw/zinc/17/72/25/1070177225.db2.gz ZAIWICADTPRIFP-UHFFFAOYSA-N 1 2 416.442 -0.568 20 0 HBADLO NC(=O)c1cc(CNC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)on1 ZINC000506343220 1070177222 /nfs/dbraw/zinc/17/72/22/1070177222.db2.gz ZAIWICADTPRIFP-UHFFFAOYSA-N 1 2 416.442 -0.568 20 0 HBADLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000506345161 1070178554 /nfs/dbraw/zinc/17/85/54/1070178554.db2.gz ICXBBJPHMMIUEZ-GOSISDBHSA-N 1 2 404.577 -0.194 20 0 HBADLO CN(C1CCCCC1)S(=O)(=O)N1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000506345161 1070178548 /nfs/dbraw/zinc/17/85/48/1070178548.db2.gz ICXBBJPHMMIUEZ-GOSISDBHSA-N 1 2 404.577 -0.194 20 0 HBADLO 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ZINC000506397360 1070194860 /nfs/dbraw/zinc/19/48/60/1070194860.db2.gz PTNFIMJXPIGORF-IRXDYDNUSA-N 1 2 407.515 -0.411 20 0 HBADLO CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC000506397361 1070194958 /nfs/dbraw/zinc/19/49/58/1070194958.db2.gz PTNFIMJXPIGORF-SJORKVTESA-N 1 2 407.515 -0.411 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)c2)CC1 ZINC000506429835 1070202694 /nfs/dbraw/zinc/20/26/94/1070202694.db2.gz QBARJECYBRBENK-AWEZNQCLSA-N 1 2 421.473 -0.120 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)c2)CC1 ZINC000506429836 1070202796 /nfs/dbraw/zinc/20/27/96/1070202796.db2.gz QBARJECYBRBENK-CQSZACIVSA-N 1 2 421.473 -0.120 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)CC1 ZINC000506432968 1070204015 /nfs/dbraw/zinc/20/40/15/1070204015.db2.gz DUMZXNAWLROMFY-AWEZNQCLSA-N 1 2 421.473 -0.120 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N[C@H](C)C(=O)NCCF)CC1 ZINC000506432969 1070204311 /nfs/dbraw/zinc/20/43/11/1070204311.db2.gz DUMZXNAWLROMFY-CQSZACIVSA-N 1 2 421.473 -0.120 20 0 HBADLO NC(=O)Cc1occc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000506451671 1070212723 /nfs/dbraw/zinc/21/27/23/1070212723.db2.gz LAYBALNMAJFCDJ-UHFFFAOYSA-N 1 2 421.479 -0.416 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)cc2)CC1 ZINC000506463444 1070217855 /nfs/dbraw/zinc/21/78/55/1070217855.db2.gz MMDLMNKRMMTYDF-AWEZNQCLSA-N 1 2 421.473 -0.120 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)cc2)CC1 ZINC000506463445 1070217692 /nfs/dbraw/zinc/21/76/92/1070217692.db2.gz MMDLMNKRMMTYDF-CQSZACIVSA-N 1 2 421.473 -0.120 20 0 HBADLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 ZINC000506531277 1070253151 /nfs/dbraw/zinc/25/31/51/1070253151.db2.gz AYVXXDGULIIJDX-UHFFFAOYSA-N 1 2 400.483 -0.147 20 0 HBADLO COC(=O)[C@H]1CC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000506533354 1070254683 /nfs/dbraw/zinc/25/46/83/1070254683.db2.gz 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Cc1cc(N2CCC[C@@H](N3CC[NH+](CCN4C(=O)CCC4=O)CC3)C2=O)n(C)n1 ZINC000506601574 1070279409 /nfs/dbraw/zinc/27/94/09/1070279409.db2.gz FTPMGBDRKQQYIE-MRXNPFEDSA-N 1 2 402.499 -0.009 20 0 HBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCN1C(=O)CCC1=O ZINC000506629054 1070290312 /nfs/dbraw/zinc/29/03/12/1070290312.db2.gz WZRWNPQAQBVNGT-UHFFFAOYSA-N 1 2 402.455 -0.432 20 0 HBADLO COc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000506638887 1070293993 /nfs/dbraw/zinc/29/39/93/1070293993.db2.gz GPBWYJTYDDRZAH-UHFFFAOYSA-N 1 2 413.496 -0.534 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CCOCCO)cc2)CC1 ZINC000506692946 1070308096 /nfs/dbraw/zinc/30/80/96/1070308096.db2.gz DRVOGUPPDGTNQL-UHFFFAOYSA-N 1 2 406.483 -0.244 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)CCOCCO)c2)CC1 ZINC000506700378 1070311081 /nfs/dbraw/zinc/31/10/81/1070311081.db2.gz WGSPYZNESHBSQR-UHFFFAOYSA-N 1 2 406.483 -0.244 20 0 HBADLO COC(=O)[C@]1(C)CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000506724512 1070318030 /nfs/dbraw/zinc/31/80/30/1070318030.db2.gz HXGVSDPAUWNNIG-AUUYWEPGSA-N 1 2 407.471 -0.189 20 0 HBADLO COC(=O)[C@]1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[C@H]1C ZINC000506761402 1070338014 /nfs/dbraw/zinc/33/80/14/1070338014.db2.gz NKHABTTVKVOHSN-AUUYWEPGSA-N 1 2 407.471 -0.189 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1C ZINC000506765282 1070341640 /nfs/dbraw/zinc/34/16/40/1070341640.db2.gz DODLMJUPOMEFDO-CYBMUJFWSA-N 1 2 402.455 -0.903 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC(=O)N1C ZINC000506765283 1070341464 /nfs/dbraw/zinc/34/14/64/1070341464.db2.gz DODLMJUPOMEFDO-ZDUSSCGKSA-N 1 2 402.455 -0.903 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)cc2)CC1 ZINC000506769214 1070343183 /nfs/dbraw/zinc/34/31/83/1070343183.db2.gz VETMAYFSIGOFDY-HNNXBMFYSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)cc2)CC1 ZINC000506769215 1070343043 /nfs/dbraw/zinc/34/30/43/1070343043.db2.gz VETMAYFSIGOFDY-OAHLLOKOSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000506769516 1070340831 /nfs/dbraw/zinc/34/08/31/1070340831.db2.gz ZOZJQUUMOCVLHJ-HNNXBMFYSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000506769517 1070341187 /nfs/dbraw/zinc/34/11/87/1070341187.db2.gz ZOZJQUUMOCVLHJ-OAHLLOKOSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(=O)N(C)[C@@H](C)C3)c2)CC1 ZINC000506821105 1070365333 /nfs/dbraw/zinc/36/53/33/1070365333.db2.gz ZYWHULVOERTTMJ-HNNXBMFYSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC(=O)N(C)[C@H](C)C3)c2)CC1 ZINC000506821107 1070365068 /nfs/dbraw/zinc/36/50/68/1070365068.db2.gz ZYWHULVOERTTMJ-OAHLLOKOSA-N 1 2 415.494 -0.022 20 0 HBADLO Cc1nnc2ccc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cn12 ZINC000506848013 1070390301 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1070470858 /nfs/dbraw/zinc/47/08/58/1070470858.db2.gz DXGBRYVAEAGOMT-UHFFFAOYSA-N 1 2 408.503 -0.544 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000507314038 1070470121 /nfs/dbraw/zinc/47/01/21/1070470121.db2.gz NRNAUOARAJCQJD-DLBZAZTESA-N 1 2 407.471 -0.440 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@@H]1[C@H]1CCCO1 ZINC000507314041 1070470180 /nfs/dbraw/zinc/47/01/80/1070470180.db2.gz NRNAUOARAJCQJD-IAGOWNOFSA-N 1 2 407.471 -0.440 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000507314044 1070469934 /nfs/dbraw/zinc/46/99/34/1070469934.db2.gz NRNAUOARAJCQJD-IRXDYDNUSA-N 1 2 407.471 -0.440 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000507314046 1070470206 /nfs/dbraw/zinc/47/02/06/1070470206.db2.gz NRNAUOARAJCQJD-SJORKVTESA-N 1 2 407.471 -0.440 20 0 HBADLO O=C(NCC[C@H]1CCOC1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000507370687 1070477034 /nfs/dbraw/zinc/47/70/34/1070477034.db2.gz 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COc1ccc(CCNC(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1S(N)(=O)=O ZINC000507413017 1070482583 /nfs/dbraw/zinc/48/25/83/1070482583.db2.gz HVRCUARHAITJSW-CYBMUJFWSA-N 1 2 400.501 -0.095 20 0 HBADLO COc1ccc(CCNC(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000507413018 1070482802 /nfs/dbraw/zinc/48/28/02/1070482802.db2.gz HVRCUARHAITJSW-ZDUSSCGKSA-N 1 2 400.501 -0.095 20 0 HBADLO COc1ccc(CCNC(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1S(N)(=O)=O ZINC000507413018 1070482799 /nfs/dbraw/zinc/48/27/99/1070482799.db2.gz HVRCUARHAITJSW-ZDUSSCGKSA-N 1 2 400.501 -0.095 20 0 HBADLO COc1ccc(CCNC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000507413831 1070482655 /nfs/dbraw/zinc/48/26/55/1070482655.db2.gz LNEWETGCDSKQTA-CYBMUJFWSA-N 1 2 400.501 -0.095 20 0 HBADLO COc1ccc(CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000507413832 1070482563 /nfs/dbraw/zinc/48/25/63/1070482563.db2.gz LNEWETGCDSKQTA-ZDUSSCGKSA-N 1 2 400.501 -0.095 20 0 HBADLO Cn1c(=O)cc(C[NH+](Cc2cccs2)Cc2cc(=O)n(C)c(=O)n2C)n(C)c1=O ZINC000507418737 1070484268 /nfs/dbraw/zinc/48/42/68/1070484268.db2.gz BNDMLRWQSJXQIU-UHFFFAOYSA-N 1 2 417.491 -0.255 20 0 HBADLO COc1ccc(CCNC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000507436643 1070488530 /nfs/dbraw/zinc/48/85/30/1070488530.db2.gz PSBKHVDHYSRKOT-CYBMUJFWSA-N 1 2 400.501 -0.095 20 0 HBADLO COc1ccc(CCNC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1S(N)(=O)=O ZINC000507436645 1070488515 /nfs/dbraw/zinc/48/85/15/1070488515.db2.gz PSBKHVDHYSRKOT-ZDUSSCGKSA-N 1 2 400.501 -0.095 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@@H]2CCN(C)C2=O)CC1 ZINC000507439881 1070489549 /nfs/dbraw/zinc/48/95/49/1070489549.db2.gz GXATWYPDXLAZPP-GOSISDBHSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N(C)[C@H]2CCN(C)C2=O)CC1 ZINC000507439882 1070489513 /nfs/dbraw/zinc/48/95/13/1070489513.db2.gz GXATWYPDXLAZPP-SFHVURJKSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)[C@@H]3CCN(C)C3=O)c2)CC1 ZINC000507440694 1070493195 /nfs/dbraw/zinc/49/31/95/1070493195.db2.gz IRUSFFQUWHHLFB-GOSISDBHSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N(C)[C@H]3CCN(C)C3=O)c2)CC1 ZINC000507440695 1070493322 /nfs/dbraw/zinc/49/33/22/1070493322.db2.gz IRUSFFQUWHHLFB-SFHVURJKSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@@H]3CCN(C)C3=O)cc2)CC1 ZINC000507445151 1070489498 /nfs/dbraw/zinc/48/94/98/1070489498.db2.gz VJENBAQVHDESNG-GOSISDBHSA-N 1 2 415.494 -0.022 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@H]3CCN(C)C3=O)cc2)CC1 ZINC000507445154 1070489405 /nfs/dbraw/zinc/48/94/05/1070489405.db2.gz VJENBAQVHDESNG-SFHVURJKSA-N 1 2 415.494 -0.022 20 0 HBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)CC1 ZINC000507456470 1070492428 /nfs/dbraw/zinc/49/24/28/1070492428.db2.gz MREIPRCWSIISNA-HNNXBMFYSA-N 1 2 404.533 -0.161 20 0 HBADLO CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)CC1 ZINC000507456476 1070492334 /nfs/dbraw/zinc/49/23/34/1070492334.db2.gz MREIPRCWSIISNA-OAHLLOKOSA-N 1 2 404.533 -0.161 20 0 HBADLO O=S(=O)(C[C@@H]1CCCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507466568 1070493207 /nfs/dbraw/zinc/49/32/07/1070493207.db2.gz CEWZZCZRGSSTET-HNNXBMFYSA-N 1 2 418.541 -0.368 20 0 HBADLO O=S(=O)(C[C@H]1CCCO1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507466571 1070493180 /nfs/dbraw/zinc/49/31/80/1070493180.db2.gz CEWZZCZRGSSTET-OAHLLOKOSA-N 1 2 418.541 -0.368 20 0 HBADLO CCOCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000507472111 1070493885 /nfs/dbraw/zinc/49/38/85/1070493885.db2.gz QOTUUQLMFUAZPG-UHFFFAOYSA-N 1 2 406.530 -0.511 20 0 HBADLO Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000507479694 1070494815 /nfs/dbraw/zinc/49/48/15/1070494815.db2.gz GXROGEKJMYWTDX-UHFFFAOYSA-N 1 2 416.569 -0.065 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000507492830 1070497394 /nfs/dbraw/zinc/49/73/94/1070497394.db2.gz QKTIKBZRZFQPOF-RDGPPVDQSA-N 1 2 400.564 -0.385 20 0 HBADLO 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CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000507562627 1070507025 /nfs/dbraw/zinc/50/70/25/1070507025.db2.gz UQFPXSIIXCIABY-INIZCTEOSA-N 1 2 416.544 -0.111 20 0 HBADLO CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000507562627 1070507016 /nfs/dbraw/zinc/50/70/16/1070507016.db2.gz UQFPXSIIXCIABY-INIZCTEOSA-N 1 2 416.544 -0.111 20 0 HBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000507562628 1070506718 /nfs/dbraw/zinc/50/67/18/1070506718.db2.gz UQFPXSIIXCIABY-MRXNPFEDSA-N 1 2 416.544 -0.111 20 0 HBADLO CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000507562628 1070506708 /nfs/dbraw/zinc/50/67/08/1070506708.db2.gz UQFPXSIIXCIABY-MRXNPFEDSA-N 1 2 416.544 -0.111 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)[C@@H]3COC[C@H]3O)cc2)CC1 ZINC000507644704 1070516839 /nfs/dbraw/zinc/51/68/39/1070516839.db2.gz GBLLSPHNKXEOIJ-QZTJIDSGSA-N 1 2 404.467 -0.493 20 0 HBADLO 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LITQIQXPMHRLNB-QGZVFWFLSA-N 1 2 402.499 -0.154 20 0 HBADLO CC(C)(CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[NH+]1CCOCC1 ZINC000510335616 1068424685 /nfs/dbraw/zinc/42/46/85/1068424685.db2.gz UZWGSTLKVXASSV-AWEZNQCLSA-N 1 2 424.523 -0.086 20 0 HBADLO CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)[NH+]1CCOCC1 ZINC000510335617 1068424605 /nfs/dbraw/zinc/42/46/05/1068424605.db2.gz UZWGSTLKVXASSV-CQSZACIVSA-N 1 2 424.523 -0.086 20 0 HBADLO CC[C@@H](C)[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000510361393 1068448262 /nfs/dbraw/zinc/44/82/62/1068448262.db2.gz JUBMAHDRSLDYNT-CVEARBPZSA-N 1 2 412.622 -0.103 20 0 HBADLO CC[C@@H](C)[C@@H]1C[N@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000510361393 1068448256 /nfs/dbraw/zinc/44/82/56/1068448256.db2.gz JUBMAHDRSLDYNT-CVEARBPZSA-N 1 2 412.622 -0.103 20 0 HBADLO CC[C@H](C)[C@@H]1C[N@@H+](CCNS(=O)(=O)CC)CCN1CCNS(=O)(=O)CC ZINC000510361396 1068448421 /nfs/dbraw/zinc/44/84/21/1068448421.db2.gz JUBMAHDRSLDYNT-HOTGVXAUSA-N 1 2 412.622 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C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510384468 1068477548 /nfs/dbraw/zinc/47/75/48/1068477548.db2.gz MGCIATQEXIGLEN-KBPBESRZSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510384469 1068478359 /nfs/dbraw/zinc/47/83/59/1068478359.db2.gz MGCIATQEXIGLEN-KGLIPLIRSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510384470 1068478285 /nfs/dbraw/zinc/47/82/85/1068478285.db2.gz MGCIATQEXIGLEN-UONOGXRCSA-N 1 2 410.496 -0.476 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000510384471 1068478470 /nfs/dbraw/zinc/47/84/70/1068478470.db2.gz MGCIATQEXIGLEN-ZIAGYGMSSA-N 1 2 410.496 -0.476 20 0 HBADLO CCN(CC)S(=O)(=O)CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000510392636 1068481344 /nfs/dbraw/zinc/48/13/44/1068481344.db2.gz CKNDCGQRHZWJAN-UHFFFAOYSA-N 1 2 411.528 -0.092 20 0 HBADLO CC[C@H](C)[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414199 1068486386 /nfs/dbraw/zinc/48/63/86/1068486386.db2.gz PBPIYKHWXHTRIR-BBRMVZONSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@H](C)[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414199 1068486377 /nfs/dbraw/zinc/48/63/77/1068486377.db2.gz PBPIYKHWXHTRIR-BBRMVZONSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@@H](C)[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414209 1068486405 /nfs/dbraw/zinc/48/64/05/1068486405.db2.gz PBPIYKHWXHTRIR-CJNGLKHVSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@@H](C)[C@@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414209 1068486400 /nfs/dbraw/zinc/48/64/00/1068486400.db2.gz PBPIYKHWXHTRIR-CJNGLKHVSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@@H](C)[C@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414211 1068486256 /nfs/dbraw/zinc/48/62/56/1068486256.db2.gz PBPIYKHWXHTRIR-CZUORRHYSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@@H](C)[C@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414211 1068486252 /nfs/dbraw/zinc/48/62/52/1068486252.db2.gz PBPIYKHWXHTRIR-CZUORRHYSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@H](C)[C@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414212 1068486318 /nfs/dbraw/zinc/48/63/18/1068486318.db2.gz PBPIYKHWXHTRIR-XJKSGUPXSA-N 1 2 422.530 -0.005 20 0 HBADLO CC[C@H](C)[C@H]1CN(CC(=O)NC(=O)NC2CC2)CC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000510414212 1068486313 /nfs/dbraw/zinc/48/63/13/1068486313.db2.gz PBPIYKHWXHTRIR-XJKSGUPXSA-N 1 2 422.530 -0.005 20 0 HBADLO COC(=O)CCn1nc(C)c(C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1C ZINC000510416179 1068487354 /nfs/dbraw/zinc/48/73/54/1068487354.db2.gz SGAHCEHIHIUGTG-UHFFFAOYSA-N 1 2 419.482 -0.144 20 0 HBADLO CN(C)C(=O)COc1ccccc1C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000510431851 1068498136 /nfs/dbraw/zinc/49/81/36/1068498136.db2.gz UPKGMMLHWZQFEE-UHFFFAOYSA-N 1 2 416.478 -0.053 20 0 HBADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000510434247 1068500141 /nfs/dbraw/zinc/50/01/41/1068500141.db2.gz BYXNRTLLCOKMLF-HNNXBMFYSA-N 1 2 412.487 -0.002 20 0 HBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000510434247 1068500137 /nfs/dbraw/zinc/50/01/37/1068500137.db2.gz BYXNRTLLCOKMLF-HNNXBMFYSA-N 1 2 412.487 -0.002 20 0 HBADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000510434248 1068500200 /nfs/dbraw/zinc/50/02/00/1068500200.db2.gz BYXNRTLLCOKMLF-OAHLLOKOSA-N 1 2 412.487 -0.002 20 0 HBADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000510434248 1068500189 /nfs/dbraw/zinc/50/01/89/1068500189.db2.gz BYXNRTLLCOKMLF-OAHLLOKOSA-N 1 2 412.487 -0.002 20 0 HBADLO Cc1noc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000510446657 1068508113 /nfs/dbraw/zinc/50/81/13/1068508113.db2.gz ZQZHPHJHQGYURG-UHFFFAOYSA-N 1 2 423.499 -0.233 20 0 HBADLO C[N@@H+](Cc1ccccc1)C1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000510477307 1068534579 /nfs/dbraw/zinc/53/45/79/1068534579.db2.gz ZFMGGIYSNHYLAJ-UHFFFAOYSA-N 1 2 402.542 -0.375 20 0 HBADLO C[N@H+](Cc1ccccc1)C1CN(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)C1 ZINC000510477307 1068534570 /nfs/dbraw/zinc/53/45/70/1068534570.db2.gz ZFMGGIYSNHYLAJ-UHFFFAOYSA-N 1 2 402.542 -0.375 20 0 HBADLO COC[C@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000510550897 1068551394 /nfs/dbraw/zinc/55/13/94/1068551394.db2.gz TTYJSNICFAGDPA-HNNXBMFYSA-N 1 2 415.516 -0.506 20 0 HBADLO COC[C@@H](CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)OC ZINC000510550898 1068551457 /nfs/dbraw/zinc/55/14/57/1068551457.db2.gz TTYJSNICFAGDPA-OAHLLOKOSA-N 1 2 415.516 -0.506 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCC(C)(C)CCCO)CC1 ZINC000510623463 1068554809 /nfs/dbraw/zinc/55/48/09/1068554809.db2.gz SWDPOCJNRMYNPL-UHFFFAOYSA-N 1 2 403.487 -0.073 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510626098 1068555378 /nfs/dbraw/zinc/55/53/78/1068555378.db2.gz ALYQZGHSPGNAGT-NEPJUHHUSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510626098 1068555368 /nfs/dbraw/zinc/55/53/68/1068555368.db2.gz ALYQZGHSPGNAGT-NEPJUHHUSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510626100 1068555726 /nfs/dbraw/zinc/55/57/26/1068555726.db2.gz ALYQZGHSPGNAGT-NWDGAFQWSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510626100 1068555718 /nfs/dbraw/zinc/55/57/18/1068555718.db2.gz ALYQZGHSPGNAGT-NWDGAFQWSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510626102 1068555584 /nfs/dbraw/zinc/55/55/84/1068555584.db2.gz ALYQZGHSPGNAGT-RYUDHWBXSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510626102 1068555572 /nfs/dbraw/zinc/55/55/72/1068555572.db2.gz ALYQZGHSPGNAGT-RYUDHWBXSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510626103 1068555798 /nfs/dbraw/zinc/55/57/98/1068555798.db2.gz ALYQZGHSPGNAGT-VXGBXAGGSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510626103 1068555785 /nfs/dbraw/zinc/55/57/85/1068555785.db2.gz ALYQZGHSPGNAGT-VXGBXAGGSA-N 1 2 404.514 -0.339 20 0 HBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1C ZINC000510629690 1068556372 /nfs/dbraw/zinc/55/63/72/1068556372.db2.gz QTMNGMKYEDAGKB-CYBMUJFWSA-N 1 2 418.541 -0.110 20 0 HBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c1C ZINC000510629690 1068556366 /nfs/dbraw/zinc/55/63/66/1068556366.db2.gz QTMNGMKYEDAGKB-CYBMUJFWSA-N 1 2 418.541 -0.110 20 0 HBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1C ZINC000510629691 1068556197 /nfs/dbraw/zinc/55/61/97/1068556197.db2.gz QTMNGMKYEDAGKB-ZDUSSCGKSA-N 1 2 418.541 -0.110 20 0 HBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+]2CCC[C@H](CS(N)(=O)=O)C2)c1C ZINC000510629691 1068556188 /nfs/dbraw/zinc/55/61/88/1068556188.db2.gz QTMNGMKYEDAGKB-ZDUSSCGKSA-N 1 2 418.541 -0.110 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000510657149 1069608717 /nfs/dbraw/zinc/60/87/17/1069608717.db2.gz IHETYXJKWVYESE-INIZCTEOSA-N 1 2 418.498 -0.375 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000510657153 1068557314 /nfs/dbraw/zinc/55/73/14/1068557314.db2.gz IHETYXJKWVYESE-MRXNPFEDSA-N 1 2 418.498 -0.375 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000510662822 1068558872 /nfs/dbraw/zinc/55/88/72/1068558872.db2.gz YTMQJRPATVSALX-INIZCTEOSA-N 1 2 418.498 -0.375 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000510662823 1068558639 /nfs/dbraw/zinc/55/86/39/1068558639.db2.gz YTMQJRPATVSALX-MRXNPFEDSA-N 1 2 418.498 -0.375 20 0 HBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510671115 1068558594 /nfs/dbraw/zinc/55/85/94/1068558594.db2.gz WSWYNTDZJYPZQL-NEPJUHHUSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510671115 1068558584 /nfs/dbraw/zinc/55/85/84/1068558584.db2.gz WSWYNTDZJYPZQL-NEPJUHHUSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510671116 1068558718 /nfs/dbraw/zinc/55/87/18/1068558718.db2.gz WSWYNTDZJYPZQL-NWDGAFQWSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510671116 1068558705 /nfs/dbraw/zinc/55/87/05/1068558705.db2.gz WSWYNTDZJYPZQL-NWDGAFQWSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510671117 1068558811 /nfs/dbraw/zinc/55/88/11/1068558811.db2.gz WSWYNTDZJYPZQL-RYUDHWBXSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000510671117 1068558804 /nfs/dbraw/zinc/55/88/04/1068558804.db2.gz WSWYNTDZJYPZQL-RYUDHWBXSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510671118 1068558485 /nfs/dbraw/zinc/55/84/85/1068558485.db2.gz WSWYNTDZJYPZQL-VXGBXAGGSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000510671118 1068558476 /nfs/dbraw/zinc/55/84/76/1068558476.db2.gz WSWYNTDZJYPZQL-VXGBXAGGSA-N 1 2 404.514 -0.339 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(Cn3ccnn3)CC2)c(=O)n(C)c1=O ZINC000510767894 1068569667 /nfs/dbraw/zinc/56/96/67/1068569667.db2.gz XVBHXCNVRCKFAG-UHFFFAOYSA-N 1 2 403.487 -0.028 20 0 HBADLO COC(=O)C[C@](C)([NH2+]CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000510775765 1068569990 /nfs/dbraw/zinc/56/99/90/1068569990.db2.gz FZMAEZQVEJTWLP-FQEVSTJZSA-N 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/nfs/dbraw/zinc/41/11/75/1069411175.db2.gz LKYBGVOGXBZIOM-UHFFFAOYSA-N 1 2 413.482 -0.420 20 0 HBADLO O=C(NCCn1cccc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000512755755 1069411169 /nfs/dbraw/zinc/41/11/69/1069411169.db2.gz LKYBGVOGXBZIOM-UHFFFAOYSA-N 1 2 413.482 -0.420 20 0 HBADLO Cc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000512795464 1069421977 /nfs/dbraw/zinc/42/19/77/1069421977.db2.gz UDCPHHUJZNVVIH-UHFFFAOYSA-N 1 2 420.539 -0.019 20 0 HBADLO CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1CCCC1=O ZINC000512795665 1069421434 /nfs/dbraw/zinc/42/14/34/1069421434.db2.gz XSNRNJCVSWLTFS-KRWDZBQOSA-N 1 2 415.560 -0.730 20 0 HBADLO CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1CCCC1=O ZINC000512795666 1069421394 /nfs/dbraw/zinc/42/13/94/1069421394.db2.gz XSNRNJCVSWLTFS-QGZVFWFLSA-N 1 2 415.560 -0.730 20 0 HBADLO Cc1nn(C)c2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc12 ZINC000512799629 1069422035 /nfs/dbraw/zinc/42/20/35/1069422035.db2.gz LITNKBFHOHNWNN-UHFFFAOYSA-N 1 2 421.527 -0.473 20 0 HBADLO CC(=O)NC1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000512803959 1069422481 /nfs/dbraw/zinc/42/24/81/1069422481.db2.gz FSJQYEJOLSYGBH-UHFFFAOYSA-N 1 2 415.560 -0.538 20 0 HBADLO CC(C)CS(=O)(=O)CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000512804964 1069423064 /nfs/dbraw/zinc/42/30/64/1069423064.db2.gz YRFDGDQCSLRSSW-UHFFFAOYSA-N 1 2 424.589 -0.916 20 0 HBADLO Cc1cc(COCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000513060999 1069457657 /nfs/dbraw/zinc/45/76/57/1069457657.db2.gz FNZSEUGNPFOKNS-UHFFFAOYSA-N 1 2 401.489 -0.864 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cnc21 ZINC000513075719 1069466615 /nfs/dbraw/zinc/46/66/15/1069466615.db2.gz OHLWKEVBRDHWKD-LLVKDONJSA-N 1 2 402.436 -0.014 20 0 HBADLO Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cnc21 ZINC000513075743 1069466495 /nfs/dbraw/zinc/46/64/95/1069466495.db2.gz OHLWKEVBRDHWKD-NSHDSACASA-N 1 2 402.436 -0.014 20 0 HBADLO C[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000513117551 1069474571 /nfs/dbraw/zinc/47/45/71/1069474571.db2.gz TYBJDAUZZFBSIT-AWEZNQCLSA-N 1 2 401.508 -0.152 20 0 HBADLO C[C@H](C(=O)NCCNS(=O)(=O)N(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000513117554 1069474540 /nfs/dbraw/zinc/47/45/40/1069474540.db2.gz TYBJDAUZZFBSIT-CQSZACIVSA-N 1 2 401.508 -0.152 20 0 HBADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)CC2 ZINC000513156134 1069485334 /nfs/dbraw/zinc/48/53/34/1069485334.db2.gz SONUXVIJCFNLQG-INIZCTEOSA-N 1 2 406.483 -0.052 20 0 HBADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@H](CCC(N)=O)NC(C)=O)CC2 ZINC000513156134 1069485331 /nfs/dbraw/zinc/48/53/31/1069485331.db2.gz SONUXVIJCFNLQG-INIZCTEOSA-N 1 2 406.483 -0.052 20 0 HBADLO COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC2 ZINC000513156135 1069485261 /nfs/dbraw/zinc/48/52/61/1069485261.db2.gz SONUXVIJCFNLQG-MRXNPFEDSA-N 1 2 406.483 -0.052 20 0 HBADLO COc1cc2c(cc1OC)C[N@H+](CCNC(=O)[C@@H](CCC(N)=O)NC(C)=O)CC2 ZINC000513156135 1069485257 /nfs/dbraw/zinc/48/52/57/1069485257.db2.gz SONUXVIJCFNLQG-MRXNPFEDSA-N 1 2 406.483 -0.052 20 0 HBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000513198528 1069504865 /nfs/dbraw/zinc/50/48/65/1069504865.db2.gz DZDLHJBTJAGUON-UHFFFAOYSA-N 1 2 400.545 -0.141 20 0 HBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000513206119 1069505066 /nfs/dbraw/zinc/50/50/66/1069505066.db2.gz IFTBOTMXNMEHDP-HOTGVXAUSA-N 1 2 418.560 -0.405 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000513206123 1069504753 /nfs/dbraw/zinc/50/47/53/1069504753.db2.gz IFTBOTMXNMEHDP-HZPDHXFCSA-N 1 2 418.560 -0.405 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000513206125 1069505010 /nfs/dbraw/zinc/50/50/10/1069505010.db2.gz IFTBOTMXNMEHDP-IYBDPMFKSA-N 1 2 418.560 -0.405 20 0 HBADLO CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)[NH+]1CCOCC1 ZINC000513211378 1069504892 /nfs/dbraw/zinc/50/48/92/1069504892.db2.gz XURQACGXOVAAGZ-UHFFFAOYSA-N 1 2 414.484 -0.678 20 0 HBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1)C(N)=O ZINC000513246669 1069509025 /nfs/dbraw/zinc/50/90/25/1069509025.db2.gz AXFLIXZJVKMBCF-UHFFFAOYSA-N 1 2 407.515 -0.841 20 0 HBADLO CCC(CC)(NC(=O)C1CN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1)C(N)=O ZINC000513247042 1069508887 /nfs/dbraw/zinc/50/88/87/1069508887.db2.gz IPEBKBOKOMGLRV-UHFFFAOYSA-N 1 2 411.547 -0.695 20 0 HBADLO O=C(NCCN1C(=O)Cc2ccccc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513250766 1069507510 /nfs/dbraw/zinc/50/75/10/1069507510.db2.gz KUOPSVMILCNWRG-KRWDZBQOSA-N 1 2 400.479 -0.127 20 0 HBADLO O=C(NCCN1C(=O)Cc2ccccc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513250769 1069507310 /nfs/dbraw/zinc/50/73/10/1069507310.db2.gz KUOPSVMILCNWRG-QGZVFWFLSA-N 1 2 400.479 -0.127 20 0 HBADLO CCOC(=O)C1CCN(C(=O)C[NH+]2CC(C(=O)NC(CC)(CC)C(N)=O)C2)CC1 ZINC000513260858 1069508973 /nfs/dbraw/zinc/50/89/73/1069508973.db2.gz JZXNUFIQYMPTCC-UHFFFAOYSA-N 1 2 410.515 -0.120 20 0 HBADLO CCC(CC)(NC(=O)C1C[NH+](CC(=O)N2CCN(c3cnccn3)CC2)C1)C(N)=O ZINC000513261340 1069508854 /nfs/dbraw/zinc/50/88/54/1069508854.db2.gz MYOYSNYVCHZFIF-UHFFFAOYSA-N 1 2 417.514 -0.783 20 0 HBADLO CCC(CC)(NC(=O)C1C[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)C1)C(N)=O ZINC000513271626 1069510864 /nfs/dbraw/zinc/51/08/64/1069510864.db2.gz MCRJRVLXMSVKPC-SECBINFHSA-N 1 2 409.409 -0.145 20 0 HBADLO CCC(CC)(NC(=O)C1C[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)C1)C(N)=O ZINC000513271629 1069511004 /nfs/dbraw/zinc/51/10/04/1069511004.db2.gz MCRJRVLXMSVKPC-VIFPVBQESA-N 1 2 409.409 -0.145 20 0 HBADLO O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CC[NH+](CCn2cncn2)CC1 ZINC000513298259 1069512811 /nfs/dbraw/zinc/51/28/11/1069512811.db2.gz HBVFJFYOWPMQJE-UHFFFAOYSA-N 1 2 418.483 -0.723 20 0 HBADLO C[C@@H](C(=O)NCCOCCS(N)(=O)=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000513321540 1069514835 /nfs/dbraw/zinc/51/48/35/1069514835.db2.gz VFJKVSCDEQPNJW-AWEZNQCLSA-N 1 2 402.492 -0.243 20 0 HBADLO C[C@H](C(=O)NCCOCCS(N)(=O)=O)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000513321541 1069514798 /nfs/dbraw/zinc/51/47/98/1069514798.db2.gz VFJKVSCDEQPNJW-CQSZACIVSA-N 1 2 402.492 -0.243 20 0 HBADLO O=C(NCCc1nnnn1-c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513323041 1069515226 /nfs/dbraw/zinc/51/52/26/1069515226.db2.gz ARKFNZJNILSOOQ-INIZCTEOSA-N 1 2 413.482 -0.498 20 0 HBADLO O=C(NCCc1nnnn1-c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000513323042 1069515275 /nfs/dbraw/zinc/51/52/75/1069515275.db2.gz ARKFNZJNILSOOQ-MRXNPFEDSA-N 1 2 413.482 -0.498 20 0 HBADLO CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 ZINC000513379940 1069518147 /nfs/dbraw/zinc/51/81/47/1069518147.db2.gz ZFJDEGMJGZMYGP-UHFFFAOYSA-N 1 2 400.545 -0.187 20 0 HBADLO Cc1nn(C)c(N2CCOCC2)c1CN1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000513436965 1069524333 /nfs/dbraw/zinc/52/43/33/1069524333.db2.gz AHHCUZIJWWBFOK-GOSISDBHSA-N 1 2 420.558 -0.070 20 0 HBADLO Cc1nn(C)c(N2CCOCC2)c1CN1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000513436966 1069524437 /nfs/dbraw/zinc/52/44/37/1069524437.db2.gz AHHCUZIJWWBFOK-SFHVURJKSA-N 1 2 420.558 -0.070 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000513504591 1069527675 /nfs/dbraw/zinc/52/76/75/1069527675.db2.gz DNPDPQFAIICOLC-UHFFFAOYSA-N 1 2 411.524 -0.256 20 0 HBADLO COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000513522917 1069529114 /nfs/dbraw/zinc/52/91/14/1069529114.db2.gz VNZWYMGVGLOOKN-UHFFFAOYSA-N 1 2 411.484 -0.882 20 0 HBADLO COC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000513526369 1069530052 /nfs/dbraw/zinc/53/00/52/1069530052.db2.gz FJBVQHRBJUVYOZ-UHFFFAOYSA-N 1 2 411.484 -0.882 20 0 HBADLO COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000513533767 1069530474 /nfs/dbraw/zinc/53/04/74/1069530474.db2.gz LQRBDGMACZMQCJ-UHFFFAOYSA-N 1 2 411.484 -0.882 20 0 HBADLO COc1ccccc1NCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000513541980 1069530980 /nfs/dbraw/zinc/53/09/80/1069530980.db2.gz XUKAHULHOQRQTD-UHFFFAOYSA-N 1 2 411.528 -0.257 20 0 HBADLO C[C@@H](c1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000513580293 1069534274 /nfs/dbraw/zinc/53/42/74/1069534274.db2.gz MMVRTYZSSGPPRR-HNNXBMFYSA-N 1 2 403.483 -0.434 20 0 HBADLO C[C@H](c1cccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000513580294 1069534262 /nfs/dbraw/zinc/53/42/62/1069534262.db2.gz MMVRTYZSSGPPRR-OAHLLOKOSA-N 1 2 403.483 -0.434 20 0 HBADLO C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000513595137 1069535725 /nfs/dbraw/zinc/53/57/25/1069535725.db2.gz KHIRFMSTQYOPFP-UXLLHSPISA-N 1 2 416.526 -0.136 20 0 HBADLO C[C@@H]1CC(=O)N[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)C1 ZINC000513595138 1069535767 /nfs/dbraw/zinc/53/57/67/1069535767.db2.gz KHIRFMSTQYOPFP-ZOBUZTSGSA-N 1 2 416.526 -0.136 20 0 HBADLO 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O=C(NC[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516975968 1070066197 /nfs/dbraw/zinc/06/61/97/1070066197.db2.gz PLCTVWPGFGQXCJ-CABCVRRESA-N 1 2 422.448 -0.454 20 0 HBADLO O=C(NC[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516975969 1070066342 /nfs/dbraw/zinc/06/63/42/1070066342.db2.gz PLCTVWPGFGQXCJ-GJZGRUSLSA-N 1 2 422.448 -0.454 20 0 HBADLO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516975970 1070066487 /nfs/dbraw/zinc/06/64/87/1070066487.db2.gz PLCTVWPGFGQXCJ-HUUCEWRRSA-N 1 2 422.448 -0.454 20 0 HBADLO O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000516975971 1070066155 /nfs/dbraw/zinc/06/61/55/1070066155.db2.gz PLCTVWPGFGQXCJ-LSDHHAIUSA-N 1 2 422.448 -0.454 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000517044787 1070069098 /nfs/dbraw/zinc/06/90/98/1070069098.db2.gz IULDDQAKNYXLOI-AWEZNQCLSA-N 1 2 415.450 -0.969 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000517044788 1070069372 /nfs/dbraw/zinc/06/93/72/1070069372.db2.gz IULDDQAKNYXLOI-CQSZACIVSA-N 1 2 415.450 -0.969 20 0 HBADLO Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)cn1 ZINC000517050811 1070069533 /nfs/dbraw/zinc/06/95/33/1070069533.db2.gz ICLMTAXFYJOMSW-UHFFFAOYSA-N 1 2 422.449 -0.095 20 0 HBADLO Cn1c[nH+]cc1CNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 ZINC000517062392 1069018617 /nfs/dbraw/zinc/01/86/17/1069018617.db2.gz QNRDCIVAZJLJKU-UHFFFAOYSA-N 1 2 420.495 -0.389 20 0 HBADLO COCCOc1ncccc1CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000517079862 1070070857 /nfs/dbraw/zinc/07/08/57/1070070857.db2.gz IIFLKCWIPGXWSQ-KRWDZBQOSA-N 1 2 406.483 -0.096 20 0 HBADLO COCCOc1ncccc1CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000517079870 1070071012 /nfs/dbraw/zinc/07/10/12/1070071012.db2.gz IIFLKCWIPGXWSQ-QGZVFWFLSA-N 1 2 406.483 -0.096 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000517141101 1070074787 /nfs/dbraw/zinc/07/47/87/1070074787.db2.gz NQMGVHCKBQJJGN-HNNXBMFYSA-N 1 2 403.483 -0.222 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000517141101 1070074766 /nfs/dbraw/zinc/07/47/66/1070074766.db2.gz NQMGVHCKBQJJGN-HNNXBMFYSA-N 1 2 403.483 -0.222 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000517141102 1070074921 /nfs/dbraw/zinc/07/49/21/1070074921.db2.gz NQMGVHCKBQJJGN-OAHLLOKOSA-N 1 2 403.483 -0.222 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000517141102 1070074903 /nfs/dbraw/zinc/07/49/03/1070074903.db2.gz NQMGVHCKBQJJGN-OAHLLOKOSA-N 1 2 403.483 -0.222 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2)CC1 ZINC000517141705 1070074644 /nfs/dbraw/zinc/07/46/44/1070074644.db2.gz GXEXEYGHUUVQCO-UHFFFAOYSA-N 1 2 408.422 -0.251 20 0 HBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000517150753 1070075905 /nfs/dbraw/zinc/07/59/05/1070075905.db2.gz DKFOTUGWIDZCEH-UHFFFAOYSA-N 1 2 401.467 -0.119 20 0 HBADLO NC(=O)c1cccc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c1 ZINC000517150753 1070075885 /nfs/dbraw/zinc/07/58/85/1070075885.db2.gz DKFOTUGWIDZCEH-UHFFFAOYSA-N 1 2 401.467 -0.119 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000517178572 1070078655 /nfs/dbraw/zinc/07/86/55/1070078655.db2.gz GEWSCUNKPLFHOP-UHFFFAOYSA-N 1 2 423.539 -0.122 20 0 HBADLO Cc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517178918 1070078442 /nfs/dbraw/zinc/07/84/42/1070078442.db2.gz ILLCPYNRMIRAQZ-UHFFFAOYSA-N 1 2 409.512 -0.430 20 0 HBADLO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC000517249682 1070084600 /nfs/dbraw/zinc/08/46/00/1070084600.db2.gz AEKOLJZHUMYXMC-KRWDZBQOSA-N 1 2 404.515 -0.093 20 0 HBADLO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CC2)n1 ZINC000517249683 1070084788 /nfs/dbraw/zinc/08/47/88/1070084788.db2.gz AEKOLJZHUMYXMC-QGZVFWFLSA-N 1 2 404.515 -0.093 20 0 HBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000517260048 1070085935 /nfs/dbraw/zinc/08/59/35/1070085935.db2.gz BGPRWDUPJPYQDW-GOSISDBHSA-N 1 2 424.542 -0.157 20 0 HBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000517260049 1070085739 /nfs/dbraw/zinc/08/57/39/1070085739.db2.gz BGPRWDUPJPYQDW-SFHVURJKSA-N 1 2 424.542 -0.157 20 0 HBADLO CN(C)S(=O)(=O)N1CCCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000517265261 1070086538 /nfs/dbraw/zinc/08/65/38/1070086538.db2.gz VMCKYCBHIIVPAR-UHFFFAOYSA-N 1 2 405.565 -0.973 20 0 HBADLO Cc1cccc(C)c1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000517281183 1070087178 /nfs/dbraw/zinc/08/71/78/1070087178.db2.gz ZBRWTNXFDYEXHE-UHFFFAOYSA-N 1 2 423.539 -0.122 20 0 HBADLO Cc1cn2cc(NC(=O)C(=O)N3CCCN(S(=O)(=O)N(C)C)CC3)ccc2[nH+]1 ZINC000517446262 1070100936 /nfs/dbraw/zinc/10/09/36/1070100936.db2.gz UWOPSVHPESSMHW-UHFFFAOYSA-N 1 2 408.484 -0.078 20 0 HBADLO O=C(NCCCN1C(=O)CNC1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517462700 1070102482 /nfs/dbraw/zinc/10/24/82/1070102482.db2.gz OLMPJYSNLHDUHC-UHFFFAOYSA-N 1 2 417.470 -0.639 20 0 HBADLO CCOC(=O)C1CCN(S(=O)(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000517601468 1070115276 /nfs/dbraw/zinc/11/52/76/1070115276.db2.gz HIGXGTLVICIQBQ-UHFFFAOYSA-N 1 2 404.533 -0.352 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000517626446 1070116057 /nfs/dbraw/zinc/11/60/57/1070116057.db2.gz BAGCERNRJIJKHK-KRWDZBQOSA-N 1 2 406.531 -0.006 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000517626447 1070116363 /nfs/dbraw/zinc/11/63/63/1070116363.db2.gz BAGCERNRJIJKHK-QGZVFWFLSA-N 1 2 406.531 -0.006 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000517630823 1070118753 /nfs/dbraw/zinc/11/87/53/1070118753.db2.gz NDQCTLAAZGOBPX-JFIYKMOQSA-N 1 2 424.523 -0.299 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000517630824 1070118805 /nfs/dbraw/zinc/11/88/05/1070118805.db2.gz NDQCTLAAZGOBPX-LZLYRXPVSA-N 1 2 424.523 -0.299 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000517630825 1070118884 /nfs/dbraw/zinc/11/88/84/1070118884.db2.gz NDQCTLAAZGOBPX-SOLBZPMBSA-N 1 2 424.523 -0.299 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000517630826 1070118938 /nfs/dbraw/zinc/11/89/38/1070118938.db2.gz NDQCTLAAZGOBPX-XYJFISCASA-N 1 2 424.523 -0.299 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1)N1CCOCC1 ZINC000517637987 1070121577 /nfs/dbraw/zinc/12/15/77/1070121577.db2.gz XCMHQOXUUXLSMO-INIZCTEOSA-N 1 2 418.498 -0.807 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1)N1CCOCC1 ZINC000517637987 1070121569 /nfs/dbraw/zinc/12/15/69/1070121569.db2.gz XCMHQOXUUXLSMO-INIZCTEOSA-N 1 2 418.498 -0.807 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1)N1CCOCC1 ZINC000517637988 1070121618 /nfs/dbraw/zinc/12/16/18/1070121618.db2.gz XCMHQOXUUXLSMO-MRXNPFEDSA-N 1 2 418.498 -0.807 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1)N1CCOCC1 ZINC000517637988 1070121612 /nfs/dbraw/zinc/12/16/12/1070121612.db2.gz XCMHQOXUUXLSMO-MRXNPFEDSA-N 1 2 418.498 -0.807 20 0 HBADLO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000517696791 1070131991 /nfs/dbraw/zinc/13/19/91/1070131991.db2.gz FFLWMGBWMGYLRO-BBWFWOEESA-N 1 2 413.540 -0.265 20 0 HBADLO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000517696793 1070132228 /nfs/dbraw/zinc/13/22/28/1070132228.db2.gz FFLWMGBWMGYLRO-GVDBMIGSSA-N 1 2 413.540 -0.265 20 0 HBADLO O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000517696795 1070132115 /nfs/dbraw/zinc/13/21/15/1070132115.db2.gz FFLWMGBWMGYLRO-ULQDDVLXSA-N 1 2 413.540 -0.265 20 0 HBADLO O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000517696796 1070131893 /nfs/dbraw/zinc/13/18/93/1070131893.db2.gz FFLWMGBWMGYLRO-YESZJQIVSA-N 1 2 413.540 -0.265 20 0 HBADLO CN1CC[N@@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000517707410 1070132744 /nfs/dbraw/zinc/13/27/44/1070132744.db2.gz PGRYRLZPIGSNLJ-HNNXBMFYSA-N 1 2 416.569 -0.005 20 0 HBADLO CN1CC[N@H+](C)C[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000517707410 1070132737 /nfs/dbraw/zinc/13/27/37/1070132737.db2.gz PGRYRLZPIGSNLJ-HNNXBMFYSA-N 1 2 416.569 -0.005 20 0 HBADLO CN1CC[N@@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000517707411 1070132974 /nfs/dbraw/zinc/13/29/74/1070132974.db2.gz PGRYRLZPIGSNLJ-OAHLLOKOSA-N 1 2 416.569 -0.005 20 0 HBADLO CN1CC[N@H+](C)C[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000517707411 1070132970 /nfs/dbraw/zinc/13/29/70/1070132970.db2.gz PGRYRLZPIGSNLJ-OAHLLOKOSA-N 1 2 416.569 -0.005 20 0 HBADLO COCCCS(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517713611 1070135523 /nfs/dbraw/zinc/13/55/23/1070135523.db2.gz SNLBSRYRIFBNIA-UHFFFAOYSA-N 1 2 406.530 -0.511 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2c(=O)onc2-c2cccnc2)CC1 ZINC000517759906 1070139045 /nfs/dbraw/zinc/13/90/45/1070139045.db2.gz QCYYEJMPILXTRH-UHFFFAOYSA-N 1 2 421.421 -0.076 20 0 HBADLO CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N(C)C ZINC000517774342 1070141261 /nfs/dbraw/zinc/14/12/61/1070141261.db2.gz YZBPLWIGVCDZNY-CABCVRRESA-N 1 2 400.545 -0.507 20 0 HBADLO CSCC[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(=O)N(C)C ZINC000517774343 1070141467 /nfs/dbraw/zinc/14/14/67/1070141467.db2.gz YZBPLWIGVCDZNY-GJZGRUSLSA-N 1 2 400.545 -0.507 20 0 HBADLO Cc1ncc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000517787938 1070143882 /nfs/dbraw/zinc/14/38/82/1070143882.db2.gz PEFKLUOFYTUFEG-UHFFFAOYSA-N 1 2 402.546 -0.229 20 0 HBADLO CS(=O)(=O)Nc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000517798348 1070147185 /nfs/dbraw/zinc/14/71/85/1070147185.db2.gz OGRYWADCAQCIJG-INIZCTEOSA-N 1 2 424.523 -0.145 20 0 HBADLO CS(=O)(=O)Nc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000517798350 1070147300 /nfs/dbraw/zinc/14/73/00/1070147300.db2.gz OGRYWADCAQCIJG-MRXNPFEDSA-N 1 2 424.523 -0.145 20 0 HBADLO CN(C(=O)[C@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000517811262 1070149924 /nfs/dbraw/zinc/14/99/24/1070149924.db2.gz ACYJASJEDLDJDS-GDBMZVCRSA-N 1 2 410.540 -0.311 20 0 HBADLO CN(C(=O)[C@H]1CSCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000517811263 1070150005 /nfs/dbraw/zinc/15/00/05/1070150005.db2.gz ACYJASJEDLDJDS-GOEBONIOSA-N 1 2 410.540 -0.311 20 0 HBADLO CN(C(=O)[C@@H]1CSCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000517811264 1070149990 /nfs/dbraw/zinc/14/99/90/1070149990.db2.gz ACYJASJEDLDJDS-HOCLYGCPSA-N 1 2 410.540 -0.311 20 0 HBADLO CN(C(=O)[C@@H]1CSCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000517811265 1070149935 /nfs/dbraw/zinc/14/99/35/1070149935.db2.gz ACYJASJEDLDJDS-ZBFHGGJFSA-N 1 2 410.540 -0.311 20 0 HBADLO CN(C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)S(C)(=O)=O ZINC000517811962 1070148236 /nfs/dbraw/zinc/14/82/36/1070148236.db2.gz PJAJQSHNZKQDSL-HNNXBMFYSA-N 1 2 416.544 -0.951 20 0 HBADLO COc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)n1 ZINC000517815829 1070148198 /nfs/dbraw/zinc/14/81/98/1070148198.db2.gz ZHSXNBIGFSSEHA-INIZCTEOSA-N 1 2 418.498 -0.686 20 0 HBADLO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1OCC(N)=O ZINC000517818582 1070149038 /nfs/dbraw/zinc/14/90/38/1070149038.db2.gz XFZSFGAEUBSKLF-CQSZACIVSA-N 1 2 420.466 -0.322 20 0 HBADLO CCS(=O)(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000517821028 1070148977 /nfs/dbraw/zinc/14/89/77/1070148977.db2.gz NWLLMTYSSKDEHT-HNNXBMFYSA-N 1 2 416.544 -0.903 20 0 HBADLO CCS(=O)(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000517821037 1070148864 /nfs/dbraw/zinc/14/88/64/1070148864.db2.gz NWLLMTYSSKDEHT-OAHLLOKOSA-N 1 2 416.544 -0.903 20 0 HBADLO CNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000517823559 1070150590 /nfs/dbraw/zinc/15/05/90/1070150590.db2.gz GKDPRLCEOAZCAC-INIZCTEOSA-N 1 2 424.523 -0.608 20 0 HBADLO CNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000517823560 1070150475 /nfs/dbraw/zinc/15/04/75/1070150475.db2.gz GKDPRLCEOAZCAC-MRXNPFEDSA-N 1 2 424.523 -0.608 20 0 HBADLO CCNC(=O)CCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517865759 1070155006 /nfs/dbraw/zinc/15/50/06/1070155006.db2.gz LXBNHUKDCWDYDM-UHFFFAOYSA-N 1 2 411.528 -0.044 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000517881443 1070156786 /nfs/dbraw/zinc/15/67/86/1070156786.db2.gz PTGDPQMGUXMDLH-AWEZNQCLSA-N 1 2 413.496 -0.037 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000517881443 1070156778 /nfs/dbraw/zinc/15/67/78/1070156778.db2.gz PTGDPQMGUXMDLH-AWEZNQCLSA-N 1 2 413.496 -0.037 20 0 HBADLO 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O=C(CN1CCOCC1)N1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000520308337 1070594204 /nfs/dbraw/zinc/59/42/04/1070594204.db2.gz SQUNGVDEVJVRAR-KRWDZBQOSA-N 1 2 404.515 -0.334 20 0 HBADLO O=C(CN1CCOCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000520308338 1070594096 /nfs/dbraw/zinc/59/40/96/1070594096.db2.gz SQUNGVDEVJVRAR-QGZVFWFLSA-N 1 2 404.515 -0.334 20 0 HBADLO O=C(CN1CCOCC1)N1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000520308338 1070594083 /nfs/dbraw/zinc/59/40/83/1070594083.db2.gz SQUNGVDEVJVRAR-QGZVFWFLSA-N 1 2 404.515 -0.334 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000520360860 1070604976 /nfs/dbraw/zinc/60/49/76/1070604976.db2.gz PKESSSZNOQKTDQ-UHFFFAOYSA-N 1 2 416.276 -0.618 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000520360860 1070604970 /nfs/dbraw/zinc/60/49/70/1070604970.db2.gz PKESSSZNOQKTDQ-UHFFFAOYSA-N 1 2 416.276 -0.618 20 0 HBADLO CCN1CCN(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)C(=O)C1=O ZINC000520367054 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LTNUHQJFVXCRBA-KRWDZBQOSA-N 1 2 411.547 -0.328 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000522309396 1071086441 /nfs/dbraw/zinc/08/64/41/1071086441.db2.gz LTNUHQJFVXCRBA-QGZVFWFLSA-N 1 2 411.547 -0.328 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000522309396 1071086425 /nfs/dbraw/zinc/08/64/25/1071086425.db2.gz LTNUHQJFVXCRBA-QGZVFWFLSA-N 1 2 411.547 -0.328 20 0 HBADLO NS(=O)(=O)c1cnn(CCC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000522362205 1071096771 /nfs/dbraw/zinc/09/67/71/1071096771.db2.gz DNYLNLOACUVXIS-INIZCTEOSA-N 1 2 407.496 -0.062 20 0 HBADLO NS(=O)(=O)c1cnn(CCC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000522362205 1071096760 /nfs/dbraw/zinc/09/67/60/1071096760.db2.gz DNYLNLOACUVXIS-INIZCTEOSA-N 1 2 407.496 -0.062 20 0 HBADLO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000522362206 1071096889 /nfs/dbraw/zinc/09/68/89/1071096889.db2.gz DNYLNLOACUVXIS-MRXNPFEDSA-N 1 2 407.496 -0.062 20 0 HBADLO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000522362206 1071096880 /nfs/dbraw/zinc/09/68/80/1071096880.db2.gz DNYLNLOACUVXIS-MRXNPFEDSA-N 1 2 407.496 -0.062 20 0 HBADLO NS(=O)(=O)c1cnn(CCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000522394688 1071104225 /nfs/dbraw/zinc/10/42/25/1071104225.db2.gz CSELKEIGDCYJRY-HNNXBMFYSA-N 1 2 403.530 -0.755 20 0 HBADLO NS(=O)(=O)c1cnn(CCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000522394689 1071104387 /nfs/dbraw/zinc/10/43/87/1071104387.db2.gz CSELKEIGDCYJRY-OAHLLOKOSA-N 1 2 403.530 -0.755 20 0 HBADLO O=C(CCNC(=O)NCCN1CCCS1(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522409054 1071107283 /nfs/dbraw/zinc/10/72/83/1071107283.db2.gz UJLKPGFNWQTJJR-UHFFFAOYSA-N 1 2 424.527 -0.545 20 0 HBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)CC1 ZINC000522417548 1071110071 /nfs/dbraw/zinc/11/00/71/1071110071.db2.gz ARCPWIVDUMHMDS-UHFFFAOYSA-N 1 2 412.512 -0.114 20 0 HBADLO Cc1noc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000522444663 1071132177 /nfs/dbraw/zinc/13/21/77/1071132177.db2.gz CNNSAARXQIGAEU-GFCCVEGCSA-N 1 2 401.493 -0.742 20 0 HBADLO Cc1noc([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000522444664 1071132126 /nfs/dbraw/zinc/13/21/26/1071132126.db2.gz CNNSAARXQIGAEU-LBPRGKRZSA-N 1 2 401.493 -0.742 20 0 HBADLO CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC000522469871 1071155565 /nfs/dbraw/zinc/15/55/65/1071155565.db2.gz SHGNZQQHHOVLLC-KRWDZBQOSA-N 1 2 411.524 -0.459 20 0 HBADLO CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC000522469872 1071155664 /nfs/dbraw/zinc/15/56/64/1071155664.db2.gz SHGNZQQHHOVLLC-QGZVFWFLSA-N 1 2 411.524 -0.459 20 0 HBADLO C[C@@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000522589886 1071187147 /nfs/dbraw/zinc/18/71/47/1071187147.db2.gz SMEWPINVWXKYMK-HNNXBMFYSA-N 1 2 415.498 -0.032 20 0 HBADLO C[C@H](C(=O)NCC[NH+]1CCN(c2ncccn2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000522589887 1071187019 /nfs/dbraw/zinc/18/70/19/1071187019.db2.gz SMEWPINVWXKYMK-OAHLLOKOSA-N 1 2 415.498 -0.032 20 0 HBADLO Cc1cc(C)n(-c2cncc(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)n2)n1 ZINC000522626510 1071190271 /nfs/dbraw/zinc/19/02/71/1071190271.db2.gz YTKZMKGQTWJYDF-UHFFFAOYSA-N 1 2 420.543 -0.107 20 0 HBADLO O=C(COC1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522669255 1071194284 /nfs/dbraw/zinc/19/42/84/1071194284.db2.gz NJIVHQIFMYGTNM-UHFFFAOYSA-N 1 2 412.512 -0.155 20 0 HBADLO CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000522717955 1071199842 /nfs/dbraw/zinc/19/98/42/1071199842.db2.gz ZHEXUFYIJIGFIH-INIZCTEOSA-N 1 2 424.523 -0.145 20 0 HBADLO CS(=O)(=O)NCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000522717956 1071199928 /nfs/dbraw/zinc/19/99/28/1071199928.db2.gz ZHEXUFYIJIGFIH-MRXNPFEDSA-N 1 2 424.523 -0.145 20 0 HBADLO CN1CC(=O)N(CCCC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000522734069 1071204717 /nfs/dbraw/zinc/20/47/17/1071204717.db2.gz QDAPEGIQGNGMSV-UHFFFAOYSA-N 1 2 416.482 -0.089 20 0 HBADLO CN(C)C(=O)Cn1cc(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000522734655 1071204851 /nfs/dbraw/zinc/20/48/51/1071204851.db2.gz MLJQHWUGCDOYER-UHFFFAOYSA-N 1 2 414.470 -0.770 20 0 HBADLO CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000522739980 1071203181 /nfs/dbraw/zinc/20/31/81/1071203181.db2.gz FESCZHXGDJYWPW-HNNXBMFYSA-N 1 2 409.512 -0.051 20 0 HBADLO CN(C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000522739981 1071203353 /nfs/dbraw/zinc/20/33/53/1071203353.db2.gz FESCZHXGDJYWPW-OAHLLOKOSA-N 1 2 409.512 -0.051 20 0 HBADLO NC(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000522759388 1071208662 /nfs/dbraw/zinc/20/86/62/1071208662.db2.gz FWTCMPSMKFTOPI-UHFFFAOYSA-N 1 2 418.479 -0.543 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522825914 1071220019 /nfs/dbraw/zinc/22/00/19/1071220019.db2.gz AYDHBRIWODAZBN-HNNXBMFYSA-N 1 2 419.548 -0.952 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000522825915 1071220143 /nfs/dbraw/zinc/22/01/43/1071220143.db2.gz AYDHBRIWODAZBN-OAHLLOKOSA-N 1 2 419.548 -0.952 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000522854112 1071223043 /nfs/dbraw/zinc/22/30/43/1071223043.db2.gz UZQIUARLKXFGJQ-CVEARBPZSA-N 1 2 404.467 -0.323 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000522854113 1071222957 /nfs/dbraw/zinc/22/29/57/1071222957.db2.gz UZQIUARLKXFGJQ-HOTGVXAUSA-N 1 2 404.467 -0.323 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000522854114 1071222825 /nfs/dbraw/zinc/22/28/25/1071222825.db2.gz UZQIUARLKXFGJQ-HZPDHXFCSA-N 1 2 404.467 -0.323 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000522854115 1071223109 /nfs/dbraw/zinc/22/31/09/1071223109.db2.gz UZQIUARLKXFGJQ-JKSUJKDBSA-N 1 2 404.467 -0.323 20 0 HBADLO O=C(CNC(=O)NCc1ccc(F)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522854570 1071222984 /nfs/dbraw/zinc/22/29/84/1071222984.db2.gz PGDFNSRAHCMWHS-KRWDZBQOSA-N 1 2 421.473 -0.326 20 0 HBADLO O=C(CNC(=O)NCc1ccc(F)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522854571 1071222798 /nfs/dbraw/zinc/22/27/98/1071222798.db2.gz PGDFNSRAHCMWHS-QGZVFWFLSA-N 1 2 421.473 -0.326 20 0 HBADLO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855524 1071223736 /nfs/dbraw/zinc/22/37/36/1071223736.db2.gz GTTCWOCCXUXZNK-AWEZNQCLSA-N 1 2 415.450 -0.849 20 0 HBADLO O=C(Cn1c(=O)[nH]c2ccccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855525 1071223888 /nfs/dbraw/zinc/22/38/88/1071223888.db2.gz GTTCWOCCXUXZNK-CQSZACIVSA-N 1 2 415.450 -0.849 20 0 HBADLO O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855561 1071223723 /nfs/dbraw/zinc/22/37/23/1071223723.db2.gz ILSNGGRVRZONPC-INIZCTEOSA-N 1 2 416.478 -0.001 20 0 HBADLO O=C(COc1ccc2c(c1)CCC(=O)N2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522855562 1071223659 /nfs/dbraw/zinc/22/36/59/1071223659.db2.gz ILSNGGRVRZONPC-MRXNPFEDSA-N 1 2 416.478 -0.001 20 0 HBADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522856350 1071642191 /nfs/dbraw/zinc/64/21/91/1071642191.db2.gz VBRCAGAEMFZNGY-KRWDZBQOSA-N 1 2 409.508 -0.106 20 0 HBADLO CS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522856351 1071223640 /nfs/dbraw/zinc/22/36/40/1071223640.db2.gz VBRCAGAEMFZNGY-QGZVFWFLSA-N 1 2 409.508 -0.106 20 0 HBADLO NC(=O)CSc1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522859838 1071224612 /nfs/dbraw/zinc/22/46/12/1071224612.db2.gz XYQOBVDLECNJJP-AWEZNQCLSA-N 1 2 406.508 -0.073 20 0 HBADLO NC(=O)CSc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522859839 1071224545 /nfs/dbraw/zinc/22/45/45/1071224545.db2.gz XYQOBVDLECNJJP-CQSZACIVSA-N 1 2 406.508 -0.073 20 0 HBADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522900380 1071231807 /nfs/dbraw/zinc/23/18/07/1071231807.db2.gz WORIRYSKACFWGL-HNNXBMFYSA-N 1 2 418.450 -0.806 20 0 HBADLO O=C(CNC(=O)c1ccc2c(c1)OCO2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522900381 1071231917 /nfs/dbraw/zinc/23/19/17/1071231917.db2.gz WORIRYSKACFWGL-OAHLLOKOSA-N 1 2 418.450 -0.806 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000522901223 1071233239 /nfs/dbraw/zinc/23/32/39/1071233239.db2.gz CNBCLWSSTXAERJ-CHWSQXEVSA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000522901224 1071233247 /nfs/dbraw/zinc/23/32/47/1071233247.db2.gz CNBCLWSSTXAERJ-OLZOCXBDSA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000522901225 1071233101 /nfs/dbraw/zinc/23/31/01/1071233101.db2.gz CNBCLWSSTXAERJ-QWHCGFSZSA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000522901226 1071233193 /nfs/dbraw/zinc/23/31/93/1071233193.db2.gz CNBCLWSSTXAERJ-STQMWFEESA-N 1 2 406.405 -0.554 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000522901812 1071233258 /nfs/dbraw/zinc/23/32/58/1071233258.db2.gz HXKNQLNNXMOYNE-GOSISDBHSA-N 1 2 421.542 -0.037 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000522901813 1071233202 /nfs/dbraw/zinc/23/32/02/1071233202.db2.gz HXKNQLNNXMOYNE-SFHVURJKSA-N 1 2 421.542 -0.037 20 0 HBADLO CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522917611 1071236603 /nfs/dbraw/zinc/23/66/03/1071236603.db2.gz XNQFQHWUGJYSCH-HNNXBMFYSA-N 1 2 410.496 -0.742 20 0 HBADLO CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000522917612 1071236643 /nfs/dbraw/zinc/23/66/43/1071236643.db2.gz XNQFQHWUGJYSCH-OAHLLOKOSA-N 1 2 410.496 -0.742 20 0 HBADLO CC1(C)NC(=O)N(CCCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000522918511 1071236583 /nfs/dbraw/zinc/23/65/83/1071236583.db2.gz JJYQHMKXESJWSX-AWEZNQCLSA-N 1 2 409.487 -0.854 20 0 HBADLO CC1(C)NC(=O)N(CCCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000522918512 1071237019 /nfs/dbraw/zinc/23/70/19/1071237019.db2.gz JJYQHMKXESJWSX-CQSZACIVSA-N 1 2 409.487 -0.854 20 0 HBADLO CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000522918671 1071236556 /nfs/dbraw/zinc/23/65/56/1071236556.db2.gz PWEJTXPBLONRBJ-INIZCTEOSA-N 1 2 410.496 -0.279 20 0 HBADLO CS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000522918672 1071236488 /nfs/dbraw/zinc/23/64/88/1071236488.db2.gz PWEJTXPBLONRBJ-MRXNPFEDSA-N 1 2 410.496 -0.279 20 0 HBADLO O=C(Cc1csc(N2CCCC2=O)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919353 1071237328 /nfs/dbraw/zinc/23/73/28/1071237328.db2.gz STIYWIBDAIMZMP-AWEZNQCLSA-N 1 2 421.523 -0.138 20 0 HBADLO O=C(Cc1csc(N2CCCC2=O)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919354 1071237313 /nfs/dbraw/zinc/23/73/13/1071237313.db2.gz STIYWIBDAIMZMP-CQSZACIVSA-N 1 2 421.523 -0.138 20 0 HBADLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000522919373 1071237146 /nfs/dbraw/zinc/23/71/46/1071237146.db2.gz UWQSELRFMYIDIB-CYBMUJFWSA-N 1 2 402.455 -0.355 20 0 HBADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2c(=O)[nH]n(C)c2n1 ZINC000522919374 1071237189 /nfs/dbraw/zinc/23/71/89/1071237189.db2.gz UWQSELRFMYIDIB-ZDUSSCGKSA-N 1 2 402.455 -0.355 20 0 HBADLO NS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000522919722 1071237211 /nfs/dbraw/zinc/23/72/11/1071237211.db2.gz HSNHAIGFAQZKJL-GFCCVEGCSA-N 1 2 402.498 -0.942 20 0 HBADLO NS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC000522919723 1071237052 /nfs/dbraw/zinc/23/70/52/1071237052.db2.gz HSNHAIGFAQZKJL-LBPRGKRZSA-N 1 2 402.498 -0.942 20 0 HBADLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919778 1071236968 /nfs/dbraw/zinc/23/69/68/1071236968.db2.gz KENBACHBXXHLLL-APWZRJJASA-N 1 2 417.510 -0.115 20 0 HBADLO CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919779 1071237256 /nfs/dbraw/zinc/23/72/56/1071237256.db2.gz KENBACHBXXHLLL-LPHOPBHVSA-N 1 2 417.510 -0.115 20 0 HBADLO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919780 1071237294 /nfs/dbraw/zinc/23/72/94/1071237294.db2.gz KENBACHBXXHLLL-QFBILLFUSA-N 1 2 417.510 -0.115 20 0 HBADLO CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000522919781 1071237167 /nfs/dbraw/zinc/23/71/67/1071237167.db2.gz KENBACHBXXHLLL-VQIMIIECSA-N 1 2 417.510 -0.115 20 0 HBADLO Cn1nc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2c1=O ZINC000522920680 1071237345 /nfs/dbraw/zinc/23/73/45/1071237345.db2.gz QWRSMLPOEZHDPF-HNNXBMFYSA-N 1 2 413.478 -0.475 20 0 HBADLO Cn1nc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc2c1=O ZINC000522920681 1071237120 /nfs/dbraw/zinc/23/71/20/1071237120.db2.gz QWRSMLPOEZHDPF-OAHLLOKOSA-N 1 2 413.478 -0.475 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000522922875 1071235837 /nfs/dbraw/zinc/23/58/37/1071235837.db2.gz DXACFUXPTSAKRB-AGIUHOORSA-N 1 2 406.405 -0.507 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000522922876 1071235885 /nfs/dbraw/zinc/23/58/85/1071235885.db2.gz DXACFUXPTSAKRB-FRRDWIJNSA-N 1 2 406.405 -0.507 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000522922877 1071235968 /nfs/dbraw/zinc/23/59/68/1071235968.db2.gz DXACFUXPTSAKRB-JHJVBQTASA-N 1 2 406.405 -0.507 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000522922878 1071235804 /nfs/dbraw/zinc/23/58/04/1071235804.db2.gz DXACFUXPTSAKRB-UPJWGTAASA-N 1 2 406.405 -0.507 20 0 HBADLO Cn1c2ccccc2n(CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000522923184 1071238775 /nfs/dbraw/zinc/23/87/75/1071238775.db2.gz MSLLBWKNPMXDHA-INIZCTEOSA-N 1 2 415.494 -0.221 20 0 HBADLO Cn1c2ccccc2n(CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000522923185 1071238482 /nfs/dbraw/zinc/23/84/82/1071238482.db2.gz MSLLBWKNPMXDHA-MRXNPFEDSA-N 1 2 415.494 -0.221 20 0 HBADLO COC(=O)CCc1nnc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000522934769 1071240158 /nfs/dbraw/zinc/24/01/58/1071240158.db2.gz FFAGPNGDXNHYEJ-GFCCVEGCSA-N 1 2 411.484 -0.237 20 0 HBADLO COC(=O)CCc1nnc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000522934770 1071240210 /nfs/dbraw/zinc/24/02/10/1071240210.db2.gz FFAGPNGDXNHYEJ-LBPRGKRZSA-N 1 2 411.484 -0.237 20 0 HBADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cn1C ZINC000522969726 1071244416 /nfs/dbraw/zinc/24/44/16/1071244416.db2.gz RTXLXABLZRRDRD-INIZCTEOSA-N 1 2 417.557 -0.669 20 0 HBADLO Cc1nc(S(=O)(=O)NCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cn1C ZINC000522969727 1071244587 /nfs/dbraw/zinc/24/45/87/1071244587.db2.gz RTXLXABLZRRDRD-MRXNPFEDSA-N 1 2 417.557 -0.669 20 0 HBADLO O=C(CN1CCOCC1)N1CC[NH+](C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000522993806 1071245888 /nfs/dbraw/zinc/24/58/88/1071245888.db2.gz SBYURGPZADOUOE-INIZCTEOSA-N 1 2 407.467 -0.369 20 0 HBADLO O=C(CN1CCOCC1)N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000522993807 1071245918 /nfs/dbraw/zinc/24/59/18/1071245918.db2.gz SBYURGPZADOUOE-MRXNPFEDSA-N 1 2 407.467 -0.369 20 0 HBADLO CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000523018413 1071275005 /nfs/dbraw/zinc/27/50/05/1071275005.db2.gz YYKHUTLLRXSYOD-AWEZNQCLSA-N 1 2 402.521 -0.223 20 0 HBADLO CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000523018414 1071274915 /nfs/dbraw/zinc/27/49/15/1071274915.db2.gz YYKHUTLLRXSYOD-CQSZACIVSA-N 1 2 402.521 -0.223 20 0 HBADLO Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000523034527 1071287556 /nfs/dbraw/zinc/28/75/56/1071287556.db2.gz OKSIOTIZMWIGOT-AWEZNQCLSA-N 1 2 414.470 -0.230 20 0 HBADLO Cn1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000523034527 1071287554 /nfs/dbraw/zinc/28/75/54/1071287554.db2.gz OKSIOTIZMWIGOT-AWEZNQCLSA-N 1 2 414.470 -0.230 20 0 HBADLO Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1 ZINC000523034528 1071287305 /nfs/dbraw/zinc/28/73/05/1071287305.db2.gz OKSIOTIZMWIGOT-CQSZACIVSA-N 1 2 414.470 -0.230 20 0 HBADLO Cn1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)n1 ZINC000523034528 1071287301 /nfs/dbraw/zinc/28/73/01/1071287301.db2.gz OKSIOTIZMWIGOT-CQSZACIVSA-N 1 2 414.470 -0.230 20 0 HBADLO CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)s[nH]1 ZINC000523040139 1071288881 /nfs/dbraw/zinc/28/88/81/1071288881.db2.gz BLSYWKWASZOHPU-UHFFFAOYSA-N 1 2 408.528 -0.037 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCN3C(=O)CCC3=O)c2)CC1 ZINC000523047084 1071293681 /nfs/dbraw/zinc/29/36/81/1071293681.db2.gz YCJVABGIKYZTIR-UHFFFAOYSA-N 1 2 401.467 -0.362 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000523050147 1071295613 /nfs/dbraw/zinc/29/56/13/1071295613.db2.gz DWIPXFGWIDKITG-HNNXBMFYSA-N 1 2 416.475 -0.115 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)[NH+]1CCOCC1 ZINC000523050148 1071295316 /nfs/dbraw/zinc/29/53/16/1071295316.db2.gz DWIPXFGWIDKITG-OAHLLOKOSA-N 1 2 416.475 -0.115 20 0 HBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)c1 ZINC000523056600 1071298309 /nfs/dbraw/zinc/29/83/09/1071298309.db2.gz GGAKUVJEOFTJFV-HNNXBMFYSA-N 1 2 414.528 -0.284 20 0 HBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000523056600 1071298300 /nfs/dbraw/zinc/29/83/00/1071298300.db2.gz GGAKUVJEOFTJFV-HNNXBMFYSA-N 1 2 414.528 -0.284 20 0 HBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@H+]2CCO[C@H](C)C2)c1 ZINC000523056601 1071298573 /nfs/dbraw/zinc/29/85/73/1071298573.db2.gz GGAKUVJEOFTJFV-OAHLLOKOSA-N 1 2 414.528 -0.284 20 0 HBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000523056601 1071298560 /nfs/dbraw/zinc/29/85/60/1071298560.db2.gz GGAKUVJEOFTJFV-OAHLLOKOSA-N 1 2 414.528 -0.284 20 0 HBADLO CNS(=O)(=O)c1ccc(N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nc1 ZINC000523110311 1071314383 /nfs/dbraw/zinc/31/43/83/1071314383.db2.gz AZQRBBPERBDVAU-UHFFFAOYSA-N 1 2 419.511 -0.057 20 0 HBADLO CNS(=O)(=O)c1ccc(N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nc1 ZINC000523110311 1071314364 /nfs/dbraw/zinc/31/43/64/1071314364.db2.gz AZQRBBPERBDVAU-UHFFFAOYSA-N 1 2 419.511 -0.057 20 0 HBADLO Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn2)n1 ZINC000523111684 1071312914 /nfs/dbraw/zinc/31/29/14/1071312914.db2.gz MDWGIHJHBNYWNP-UHFFFAOYSA-N 1 2 406.516 -0.415 20 0 HBADLO C[C@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000523114845 1071314509 /nfs/dbraw/zinc/31/45/09/1071314509.db2.gz UHKPUFOOMYYKBM-AWEZNQCLSA-N 1 2 412.512 -0.496 20 0 HBADLO C[C@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000523114845 1071314495 /nfs/dbraw/zinc/31/44/95/1071314495.db2.gz UHKPUFOOMYYKBM-AWEZNQCLSA-N 1 2 412.512 -0.496 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000523114846 1071314633 /nfs/dbraw/zinc/31/46/33/1071314633.db2.gz UHKPUFOOMYYKBM-CQSZACIVSA-N 1 2 412.512 -0.496 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCO1 ZINC000523114846 1071314619 /nfs/dbraw/zinc/31/46/19/1071314619.db2.gz UHKPUFOOMYYKBM-CQSZACIVSA-N 1 2 412.512 -0.496 20 0 HBADLO NC(=O)c1cccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000523119623 1071317337 /nfs/dbraw/zinc/31/73/37/1071317337.db2.gz IDGYXTHURVTRLS-UHFFFAOYSA-N 1 2 424.461 -0.026 20 0 HBADLO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523131081 1071318948 /nfs/dbraw/zinc/31/89/48/1071318948.db2.gz HIZKAOWRIAWSCG-HNNXBMFYSA-N 1 2 400.483 -0.027 20 0 HBADLO O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523131081 1071318928 /nfs/dbraw/zinc/31/89/28/1071318928.db2.gz HIZKAOWRIAWSCG-HNNXBMFYSA-N 1 2 400.483 -0.027 20 0 HBADLO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523131082 1071319070 /nfs/dbraw/zinc/31/90/70/1071319070.db2.gz HIZKAOWRIAWSCG-OAHLLOKOSA-N 1 2 400.483 -0.027 20 0 HBADLO O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523131082 1071319055 /nfs/dbraw/zinc/31/90/55/1071319055.db2.gz HIZKAOWRIAWSCG-OAHLLOKOSA-N 1 2 400.483 -0.027 20 0 HBADLO Cn1nnnc1SCCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523132387 1071319470 /nfs/dbraw/zinc/31/94/70/1071319470.db2.gz XMCXFGMIAUTOLT-UHFFFAOYSA-N 1 2 419.515 -0.332 20 0 HBADLO Cn1nnnc1SCCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523132387 1071319457 /nfs/dbraw/zinc/31/94/57/1071319457.db2.gz XMCXFGMIAUTOLT-UHFFFAOYSA-N 1 2 419.515 -0.332 20 0 HBADLO CCS(=O)(=O)NCCNC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000523219742 1071331113 /nfs/dbraw/zinc/33/11/13/1071331113.db2.gz MWOOKJIVNRRALP-UHFFFAOYSA-N 1 2 412.516 -0.641 20 0 HBADLO O=C(CCNC(=O)NCCS(=O)(=O)NC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000523311887 1071342622 /nfs/dbraw/zinc/34/26/22/1071342622.db2.gz ISFKZUOKWZULRI-UHFFFAOYSA-N 1 2 424.527 -0.499 20 0 HBADLO CC1(C)NC(=O)N(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000523315062 1071342909 /nfs/dbraw/zinc/34/29/09/1071342909.db2.gz JDFICZDIPZBVFG-UHFFFAOYSA-N 1 2 402.455 -0.433 20 0 HBADLO CS(=O)(=O)N1CCC(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000523315138 1071343113 /nfs/dbraw/zinc/34/31/13/1071343113.db2.gz XXPXQUDJCHJFJF-UHFFFAOYSA-N 1 2 423.539 -0.092 20 0 HBADLO COCCN1C[C@@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000523315146 1071343282 /nfs/dbraw/zinc/34/32/82/1071343282.db2.gz ZIUFVRPWYUOXRE-INIZCTEOSA-N 1 2 403.483 -0.269 20 0 HBADLO COCCN1C[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000523315147 1071343085 /nfs/dbraw/zinc/34/30/85/1071343085.db2.gz ZIUFVRPWYUOXRE-MRXNPFEDSA-N 1 2 403.483 -0.269 20 0 HBADLO COCCOCCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000523362739 1071350143 /nfs/dbraw/zinc/35/01/43/1071350143.db2.gz ZEPPVSHACDOVPF-UHFFFAOYSA-N 1 2 421.564 -0.751 20 0 HBADLO COc1cccc(OC)c1OC[C@@H](O)C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000523381997 1071352162 /nfs/dbraw/zinc/35/21/62/1071352162.db2.gz XGVBUMDSGBVHFV-KRWDZBQOSA-N 1 2 423.510 -0.080 20 0 HBADLO COc1cccc(OC)c1OC[C@H](O)C[NH+]1CCN(CC(=O)N2CCOCC2)CC1 ZINC000523381998 1071352024 /nfs/dbraw/zinc/35/20/24/1071352024.db2.gz XGVBUMDSGBVHFV-QGZVFWFLSA-N 1 2 423.510 -0.080 20 0 HBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)o1 ZINC000523395346 1071351267 /nfs/dbraw/zinc/35/12/67/1071351267.db2.gz MKTVWBAWKUOCKX-UHFFFAOYSA-N 1 2 422.467 -0.484 20 0 HBADLO NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)o1 ZINC000523395346 1071351251 /nfs/dbraw/zinc/35/12/51/1071351251.db2.gz MKTVWBAWKUOCKX-UHFFFAOYSA-N 1 2 422.467 -0.484 20 0 HBADLO Cc1noc(COCC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n1 ZINC000523396980 1071353114 /nfs/dbraw/zinc/35/31/14/1071353114.db2.gz OSSGVMDPGFITTO-UHFFFAOYSA-N 1 2 403.443 -0.130 20 0 HBADLO Cc1noc(COCC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n1 ZINC000523396980 1071353109 /nfs/dbraw/zinc/35/31/09/1071353109.db2.gz OSSGVMDPGFITTO-UHFFFAOYSA-N 1 2 403.443 -0.130 20 0 HBADLO O=C(CCCN1C(=O)CNC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523406817 1071352766 /nfs/dbraw/zinc/35/27/66/1071352766.db2.gz SLXLPPOIIDFZKI-UHFFFAOYSA-N 1 2 417.470 -0.706 20 0 HBADLO O=C(CCCN1C(=O)CNC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523406817 1071352759 /nfs/dbraw/zinc/35/27/59/1071352759.db2.gz SLXLPPOIIDFZKI-UHFFFAOYSA-N 1 2 417.470 -0.706 20 0 HBADLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000523417599 1071355140 /nfs/dbraw/zinc/35/51/40/1071355140.db2.gz JWMZHFJNQXXJKU-UHFFFAOYSA-N 1 2 421.523 -0.473 20 0 HBADLO O=C(CCC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCOCC1 ZINC000523426542 1071354192 /nfs/dbraw/zinc/35/41/92/1071354192.db2.gz QPHZDYCZSBHLRO-UHFFFAOYSA-N 1 2 418.498 -0.399 20 0 HBADLO O=C(CCC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCOCC1 ZINC000523426542 1071354174 /nfs/dbraw/zinc/35/41/74/1071354174.db2.gz QPHZDYCZSBHLRO-UHFFFAOYSA-N 1 2 418.498 -0.399 20 0 HBADLO COC[C@H](C)NC(=O)NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448806 1071356583 /nfs/dbraw/zinc/35/65/83/1071356583.db2.gz KZEPTCGNPITWLJ-HNNXBMFYSA-N 1 2 421.502 -0.704 20 0 HBADLO COC[C@@H](C)NC(=O)NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523448807 1071356195 /nfs/dbraw/zinc/35/61/95/1071356195.db2.gz KZEPTCGNPITWLJ-OAHLLOKOSA-N 1 2 421.502 -0.704 20 0 HBADLO Cc1ncc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cn1 ZINC000523468352 1071357785 /nfs/dbraw/zinc/35/77/85/1071357785.db2.gz FVXNAMIPCCHMGV-UHFFFAOYSA-N 1 2 412.454 -0.301 20 0 HBADLO Cc1ncc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cn1 ZINC000523468352 1071357759 /nfs/dbraw/zinc/35/77/59/1071357759.db2.gz FVXNAMIPCCHMGV-UHFFFAOYSA-N 1 2 412.454 -0.301 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000523516302 1071358996 /nfs/dbraw/zinc/35/89/96/1071358996.db2.gz ZZEXXAHERDWWBG-GFCCVEGCSA-N 1 2 416.404 -0.180 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000523516303 1071358784 /nfs/dbraw/zinc/35/87/84/1071358784.db2.gz ZZEXXAHERDWWBG-LBPRGKRZSA-N 1 2 416.404 -0.180 20 0 HBADLO O=C(CNC(=O)c1ccccn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000523563154 1071361319 /nfs/dbraw/zinc/36/13/19/1071361319.db2.gz QYDLMZQEHUJONG-UHFFFAOYSA-N 1 2 411.466 -0.213 20 0 HBADLO O=C(CNC(=O)c1ccccn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000523563154 1071361309 /nfs/dbraw/zinc/36/13/09/1071361309.db2.gz QYDLMZQEHUJONG-UHFFFAOYSA-N 1 2 411.466 -0.213 20 0 HBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000523643487 1071365770 /nfs/dbraw/zinc/36/57/70/1071365770.db2.gz YADOYBSHSXRTIJ-UHFFFAOYSA-N 1 2 419.548 -0.999 20 0 HBADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCO1 ZINC000523643487 1071365753 /nfs/dbraw/zinc/36/57/53/1071365753.db2.gz YADOYBSHSXRTIJ-UHFFFAOYSA-N 1 2 419.548 -0.999 20 0 HBADLO O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000523708208 1071375086 /nfs/dbraw/zinc/37/50/86/1071375086.db2.gz NTNSCQGXOMHBSV-HNNXBMFYSA-N 1 2 400.439 -0.072 20 0 HBADLO O=C(NCc1nc(-c2ccncc2)no1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000523708209 1071375323 /nfs/dbraw/zinc/37/53/23/1071375323.db2.gz NTNSCQGXOMHBSV-OAHLLOKOSA-N 1 2 400.439 -0.072 20 0 HBADLO C[C@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000523777096 1071392959 /nfs/dbraw/zinc/39/29/59/1071392959.db2.gz NMWSFDZNPXTDRZ-AWEZNQCLSA-N 1 2 413.496 -0.037 20 0 HBADLO C[C@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000523777096 1071392938 /nfs/dbraw/zinc/39/29/38/1071392938.db2.gz NMWSFDZNPXTDRZ-AWEZNQCLSA-N 1 2 413.496 -0.037 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000523777097 1071393165 /nfs/dbraw/zinc/39/31/65/1071393165.db2.gz NMWSFDZNPXTDRZ-CQSZACIVSA-N 1 2 413.496 -0.037 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000523777097 1071393144 /nfs/dbraw/zinc/39/31/44/1071393144.db2.gz NMWSFDZNPXTDRZ-CQSZACIVSA-N 1 2 413.496 -0.037 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000524030702 1071410212 /nfs/dbraw/zinc/41/02/12/1071410212.db2.gz IAFWXJROVDKVAC-HNNXBMFYSA-N 1 2 419.548 -0.952 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000524030702 1071410208 /nfs/dbraw/zinc/41/02/08/1071410208.db2.gz IAFWXJROVDKVAC-HNNXBMFYSA-N 1 2 419.548 -0.952 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000524030703 1071410081 /nfs/dbraw/zinc/41/00/81/1071410081.db2.gz IAFWXJROVDKVAC-OAHLLOKOSA-N 1 2 419.548 -0.952 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000524030703 1071410074 /nfs/dbraw/zinc/41/00/74/1071410074.db2.gz IAFWXJROVDKVAC-OAHLLOKOSA-N 1 2 419.548 -0.952 20 0 HBADLO O=C(CCc1nc(-c2ncccn2)no1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524040137 1071411686 /nfs/dbraw/zinc/41/16/86/1071411686.db2.gz JJFQTEABZAEROS-AWEZNQCLSA-N 1 2 415.454 -0.492 20 0 HBADLO O=C(CCc1nc(-c2ncccn2)no1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524040138 1071411931 /nfs/dbraw/zinc/41/19/31/1071411931.db2.gz JJFQTEABZAEROS-CQSZACIVSA-N 1 2 415.454 -0.492 20 0 HBADLO CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524041942 1071411850 /nfs/dbraw/zinc/41/18/50/1071411850.db2.gz IEGQVLWXLBKJNU-INIZCTEOSA-N 1 2 424.523 -0.352 20 0 HBADLO CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524041943 1071411704 /nfs/dbraw/zinc/41/17/04/1071411704.db2.gz IEGQVLWXLBKJNU-MRXNPFEDSA-N 1 2 424.523 -0.352 20 0 HBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000524047546 1071412540 /nfs/dbraw/zinc/41/25/40/1071412540.db2.gz HJXFWVXRPSUASU-UHFFFAOYSA-N 1 2 412.512 -0.543 20 0 HBADLO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524051397 1071412704 /nfs/dbraw/zinc/41/27/04/1071412704.db2.gz QBBZYICHBZDXJL-INIZCTEOSA-N 1 2 415.498 -0.277 20 0 HBADLO Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524051398 1071412419 /nfs/dbraw/zinc/41/24/19/1071412419.db2.gz QBBZYICHBZDXJL-MRXNPFEDSA-N 1 2 415.498 -0.277 20 0 HBADLO Cc1ccc(-c2nnn(CC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)cc1 ZINC000524057263 1071413336 /nfs/dbraw/zinc/41/33/36/1071413336.db2.gz FTYFDBFCXGADAE-KRWDZBQOSA-N 1 2 413.482 -0.302 20 0 HBADLO Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)n2)cc1 ZINC000524057264 1071413303 /nfs/dbraw/zinc/41/33/03/1071413303.db2.gz FTYFDBFCXGADAE-QGZVFWFLSA-N 1 2 413.482 -0.302 20 0 HBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cn3cnnn3)cc2)CC1 ZINC000524125990 1071417068 /nfs/dbraw/zinc/41/70/68/1071417068.db2.gz UGCSJYNQAYUMNB-UHFFFAOYSA-N 1 2 401.471 -0.425 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000524206851 1071421127 /nfs/dbraw/zinc/42/11/27/1071421127.db2.gz NDNRTBRBTDXNHG-GOSISDBHSA-N 1 2 410.540 -0.242 20 0 HBADLO CS(=O)(=O)N[C@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000524206855 1071422074 /nfs/dbraw/zinc/42/20/74/1071422074.db2.gz NDNRTBRBTDXNHG-SFHVURJKSA-N 1 2 410.540 -0.242 20 0 HBADLO O=S(=O)(C[C@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524234816 1071423819 /nfs/dbraw/zinc/42/38/19/1071423819.db2.gz RVOYWZBUHPWTNA-HNNXBMFYSA-N 1 2 418.541 -0.511 20 0 HBADLO O=S(=O)(C[C@@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524234817 1071423614 /nfs/dbraw/zinc/42/36/14/1071423614.db2.gz RVOYWZBUHPWTNA-OAHLLOKOSA-N 1 2 418.541 -0.511 20 0 HBADLO CCCNC(=O)CN(C)C(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000524252284 1071423661 /nfs/dbraw/zinc/42/36/61/1071423661.db2.gz JNCZTKDXHNJVIR-UHFFFAOYSA-N 1 2 419.530 -0.580 20 0 HBADLO C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524300992 1071429758 /nfs/dbraw/zinc/42/97/58/1071429758.db2.gz BALLTCNNILKNGU-AWEZNQCLSA-N 1 2 409.578 -0.929 20 0 HBADLO C[C@H](C1CC1)N(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524300993 1071429595 /nfs/dbraw/zinc/42/95/95/1071429595.db2.gz BALLTCNNILKNGU-CQSZACIVSA-N 1 2 409.578 -0.929 20 0 HBADLO Cn1cnc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000524333254 1071433714 /nfs/dbraw/zinc/43/37/14/1071433714.db2.gz SAIATVJJIQEJJC-UHFFFAOYSA-N 1 2 414.513 -0.755 20 0 HBADLO Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524354707 1071435285 /nfs/dbraw/zinc/43/52/85/1071435285.db2.gz ASSMIRPRWHWXGP-AWEZNQCLSA-N 1 2 413.548 -0.391 20 0 HBADLO Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524354708 1071435109 /nfs/dbraw/zinc/43/51/09/1071435109.db2.gz ASSMIRPRWHWXGP-CQSZACIVSA-N 1 2 413.548 -0.391 20 0 HBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCCC(N)=O)cc2)CC1 ZINC000524427122 1071439813 /nfs/dbraw/zinc/43/98/13/1071439813.db2.gz DSLFMHHONSNALR-UHFFFAOYSA-N 1 2 405.499 -0.053 20 0 HBADLO COc1ccccc1C[NH+]1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000524435713 1071439074 /nfs/dbraw/zinc/43/90/74/1071439074.db2.gz HYFQWQZHYWWWNA-INIZCTEOSA-N 1 2 424.523 -0.174 20 0 HBADLO COc1ccccc1C[NH+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000524435714 1071438962 /nfs/dbraw/zinc/43/89/62/1071438962.db2.gz HYFQWQZHYWWWNA-MRXNPFEDSA-N 1 2 424.523 -0.174 20 0 HBADLO Cc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000524446191 1071441176 /nfs/dbraw/zinc/44/11/76/1071441176.db2.gz SDOMWHLQYKZIFE-UHFFFAOYSA-N 1 2 416.569 -0.065 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000524464121 1071442715 /nfs/dbraw/zinc/44/27/15/1071442715.db2.gz ASUBRJQAYFVSSY-BZSNNMDCSA-N 1 2 413.563 -0.036 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000524464122 1071442749 /nfs/dbraw/zinc/44/27/49/1071442749.db2.gz ASUBRJQAYFVSSY-KSZLIROESA-N 1 2 413.563 -0.036 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000524464123 1071442854 /nfs/dbraw/zinc/44/28/54/1071442854.db2.gz ASUBRJQAYFVSSY-KURKYZTESA-N 1 2 413.563 -0.036 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000524464124 1071442868 /nfs/dbraw/zinc/44/28/68/1071442868.db2.gz ASUBRJQAYFVSSY-SQNIBIBYSA-N 1 2 413.563 -0.036 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000524464250 1071441935 /nfs/dbraw/zinc/44/19/35/1071441935.db2.gz HQNLFNLWXDTVBJ-MSOLQXFVSA-N 1 2 412.579 -0.509 20 0 HBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000524464251 1071442739 /nfs/dbraw/zinc/44/27/39/1071442739.db2.gz HQNLFNLWXDTVBJ-QZTJIDSGSA-N 1 2 412.579 -0.509 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000524464252 1071442664 /nfs/dbraw/zinc/44/26/64/1071442664.db2.gz HQNLFNLWXDTVBJ-ROUUACIJSA-N 1 2 412.579 -0.509 20 0 HBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000524464253 1071442809 /nfs/dbraw/zinc/44/28/09/1071442809.db2.gz HQNLFNLWXDTVBJ-ZWKOTPCHSA-N 1 2 412.579 -0.509 20 0 HBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000524465927 1071442842 /nfs/dbraw/zinc/44/28/42/1071442842.db2.gz IJBFNEOSYNLGNK-KRWDZBQOSA-N 1 2 411.547 -0.328 20 0 HBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000524465927 1071442836 /nfs/dbraw/zinc/44/28/36/1071442836.db2.gz IJBFNEOSYNLGNK-KRWDZBQOSA-N 1 2 411.547 -0.328 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000524465928 1071442681 /nfs/dbraw/zinc/44/26/81/1071442681.db2.gz IJBFNEOSYNLGNK-QGZVFWFLSA-N 1 2 411.547 -0.328 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000524465928 1071442676 /nfs/dbraw/zinc/44/26/76/1071442676.db2.gz IJBFNEOSYNLGNK-QGZVFWFLSA-N 1 2 411.547 -0.328 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000524466119 1071442702 /nfs/dbraw/zinc/44/27/02/1071442702.db2.gz PKZNBQIBRSHLDP-KRWDZBQOSA-N 1 2 413.563 -0.034 20 0 HBADLO COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000524466119 1071442698 /nfs/dbraw/zinc/44/26/98/1071442698.db2.gz PKZNBQIBRSHLDP-KRWDZBQOSA-N 1 2 413.563 -0.034 20 0 HBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000524466120 1071442794 /nfs/dbraw/zinc/44/27/94/1071442794.db2.gz PKZNBQIBRSHLDP-QGZVFWFLSA-N 1 2 413.563 -0.034 20 0 HBADLO COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000524466120 1071442789 /nfs/dbraw/zinc/44/27/89/1071442789.db2.gz PKZNBQIBRSHLDP-QGZVFWFLSA-N 1 2 413.563 -0.034 20 0 HBADLO C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000524494056 1071445485 /nfs/dbraw/zinc/44/54/85/1071445485.db2.gz SDZQSXXOZKDXDL-KRWDZBQOSA-N 1 2 411.547 -0.328 20 0 HBADLO C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000524494057 1071445593 /nfs/dbraw/zinc/44/55/93/1071445593.db2.gz SDZQSXXOZKDXDL-QGZVFWFLSA-N 1 2 411.547 -0.328 20 0 HBADLO O=C(CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2ccccc2C1 ZINC000524553807 1071451451 /nfs/dbraw/zinc/45/14/51/1071451451.db2.gz SJGVYBDZCDXLNW-IBGZPJMESA-N 1 2 414.506 -0.132 20 0 HBADLO O=C(CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCc2ccccc2C1 ZINC000524553808 1071451571 /nfs/dbraw/zinc/45/15/71/1071451571.db2.gz SJGVYBDZCDXLNW-LJQANCHMSA-N 1 2 414.506 -0.132 20 0 HBADLO O=C(COC[C@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524554945 1071451430 /nfs/dbraw/zinc/45/14/30/1071451430.db2.gz NGWWTOZEPYZHRH-INIZCTEOSA-N 1 2 412.512 -0.297 20 0 HBADLO O=C(COC[C@@H]1CCOC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000524554946 1071451489 /nfs/dbraw/zinc/45/14/89/1071451489.db2.gz NGWWTOZEPYZHRH-MRXNPFEDSA-N 1 2 412.512 -0.297 20 0 HBADLO CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCO1 ZINC000524558118 1071451475 /nfs/dbraw/zinc/45/14/75/1071451475.db2.gz GPWRHXKPDLHTNK-IBGZPJMESA-N 1 2 417.510 -0.264 20 0 HBADLO CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCO1 ZINC000524558122 1071451515 /nfs/dbraw/zinc/45/15/15/1071451515.db2.gz GPWRHXKPDLHTNK-LJQANCHMSA-N 1 2 417.510 -0.264 20 0 HBADLO COC(=O)COc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524566871 1071450699 /nfs/dbraw/zinc/45/06/99/1071450699.db2.gz DKRQJYZIKWLQDY-INIZCTEOSA-N 1 2 405.451 -0.099 20 0 HBADLO COC(=O)COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524566873 1071450657 /nfs/dbraw/zinc/45/06/57/1071450657.db2.gz DKRQJYZIKWLQDY-MRXNPFEDSA-N 1 2 405.451 -0.099 20 0 HBADLO O=C(CCCS(=O)(=O)N1CCCC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524567008 1071450683 /nfs/dbraw/zinc/45/06/83/1071450683.db2.gz IXNYCZSZWSLJJM-INIZCTEOSA-N 1 2 416.544 -0.759 20 0 HBADLO O=C(CCCS(=O)(=O)N1CCCC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524567012 1071450766 /nfs/dbraw/zinc/45/07/66/1071450766.db2.gz IXNYCZSZWSLJJM-MRXNPFEDSA-N 1 2 416.544 -0.759 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 ZINC000524567746 1071450670 /nfs/dbraw/zinc/45/06/70/1071450670.db2.gz ZNHQCFLABNBBGF-UHFFFAOYSA-N 1 2 424.465 -0.260 20 0 HBADLO O=C(Cn1cc(Br)cn1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524567898 1071450757 /nfs/dbraw/zinc/45/07/57/1071450757.db2.gz HVZXPLVYLXALPE-CYBMUJFWSA-N 1 2 400.277 -0.305 20 0 HBADLO O=C(Cn1cc(Br)cn1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524567899 1071450615 /nfs/dbraw/zinc/45/06/15/1071450615.db2.gz HVZXPLVYLXALPE-ZDUSSCGKSA-N 1 2 400.277 -0.305 20 0 HBADLO NC(=O)N[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000524568280 1071450710 /nfs/dbraw/zinc/45/07/10/1071450710.db2.gz RSAHLSJXEDJWAD-DLBZAZTESA-N 1 2 403.483 -0.165 20 0 HBADLO NC(=O)N[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000524568281 1071450602 /nfs/dbraw/zinc/45/06/02/1071450602.db2.gz RSAHLSJXEDJWAD-IAGOWNOFSA-N 1 2 403.483 -0.165 20 0 HBADLO NC(=O)N[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000524568282 1071450635 /nfs/dbraw/zinc/45/06/35/1071450635.db2.gz RSAHLSJXEDJWAD-IRXDYDNUSA-N 1 2 403.483 -0.165 20 0 HBADLO NC(=O)N[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1 ZINC000524568283 1071450826 /nfs/dbraw/zinc/45/08/26/1071450826.db2.gz RSAHLSJXEDJWAD-SJORKVTESA-N 1 2 403.483 -0.165 20 0 HBADLO Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524569157 1071452387 /nfs/dbraw/zinc/45/23/87/1071452387.db2.gz BWHDEJVBRTVQLK-GOSISDBHSA-N 1 2 417.510 -0.156 20 0 HBADLO Cc1ccc(CNC(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000524569158 1071452132 /nfs/dbraw/zinc/45/21/32/1071452132.db2.gz BWHDEJVBRTVQLK-SFHVURJKSA-N 1 2 417.510 -0.156 20 0 HBADLO Cc1nc(C(=O)N(C)C)ccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569491 1071450810 /nfs/dbraw/zinc/45/08/10/1071450810.db2.gz KRBSLKQOSYEJOK-HNNXBMFYSA-N 1 2 403.483 -0.245 20 0 HBADLO Cc1nc(C(=O)N(C)C)ccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569493 1071451623 /nfs/dbraw/zinc/45/16/23/1071451623.db2.gz KRBSLKQOSYEJOK-OAHLLOKOSA-N 1 2 403.483 -0.245 20 0 HBADLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569768 1071452897 /nfs/dbraw/zinc/45/28/97/1071452897.db2.gz YNYSZSXVOQRXDR-CABCVRRESA-N 1 2 412.556 -0.017 20 0 HBADLO CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569769 1071452817 /nfs/dbraw/zinc/45/28/17/1071452817.db2.gz YNYSZSXVOQRXDR-GJZGRUSLSA-N 1 2 412.556 -0.017 20 0 HBADLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569770 1071452841 /nfs/dbraw/zinc/45/28/41/1071452841.db2.gz YNYSZSXVOQRXDR-HUUCEWRRSA-N 1 2 412.556 -0.017 20 0 HBADLO CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524569771 1071452885 /nfs/dbraw/zinc/45/28/85/1071452885.db2.gz YNYSZSXVOQRXDR-LSDHHAIUSA-N 1 2 412.556 -0.017 20 0 HBADLO Cn1c(=O)cc(CN2CC[NH+](CCNC(=O)c3ccccc3F)CC2)n(C)c1=O ZINC000524598852 1071456117 /nfs/dbraw/zinc/45/61/17/1071456117.db2.gz OQTRKQAUPXAIBK-UHFFFAOYSA-N 1 2 403.458 -0.229 20 0 HBADLO Cn1c(=O)cc(C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)n(C)c1=O ZINC000524598852 1071456108 /nfs/dbraw/zinc/45/61/08/1071456108.db2.gz OQTRKQAUPXAIBK-UHFFFAOYSA-N 1 2 403.458 -0.229 20 0 HBADLO Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1C(N)=O ZINC000524640225 1071459121 /nfs/dbraw/zinc/45/91/21/1071459121.db2.gz FSJYHDQWISVMRL-UHFFFAOYSA-N 1 2 408.484 -0.231 20 0 HBADLO CN(Cc1ccccc1)C(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524652142 1071463359 /nfs/dbraw/zinc/46/33/59/1071463359.db2.gz NZGQMBSMSBEDIZ-SFHVURJKSA-N 1 2 402.495 -0.058 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(Cc2cscn2)CC1 ZINC000524652995 1071464220 /nfs/dbraw/zinc/46/42/20/1071464220.db2.gz IALFRRDTYVDOOK-INIZCTEOSA-N 1 2 407.540 -0.032 20 0 HBADLO Cn1c(=O)c2ccc(C(=O)N3CCCC[C@H]3C[NH+]3CCOCC3)nc2n(C)c1=O ZINC000524693043 1071467885 /nfs/dbraw/zinc/46/78/85/1071467885.db2.gz IWDNGWODFXJXQK-AWEZNQCLSA-N 1 2 401.467 -0.041 20 0 HBADLO Cn1c(=O)c2ccc(C(=O)N3CCCC[C@@H]3C[NH+]3CCOCC3)nc2n(C)c1=O ZINC000524693044 1071467901 /nfs/dbraw/zinc/46/79/01/1071467901.db2.gz IWDNGWODFXJXQK-CQSZACIVSA-N 1 2 401.467 -0.041 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(Cc2cccnc2)CC1 ZINC000524706165 1071469587 /nfs/dbraw/zinc/46/95/87/1071469587.db2.gz HWMOGHMXAINBKQ-IBGZPJMESA-N 1 2 401.511 -0.094 20 0 HBADLO O=C(NCCc1nnc2n1CCCCC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524706673 1071469493 /nfs/dbraw/zinc/46/94/93/1071469493.db2.gz CZCWILMRXUGSMC-INIZCTEOSA-N 1 2 404.515 -0.156 20 0 HBADLO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524714045 1071470265 /nfs/dbraw/zinc/47/02/65/1071470265.db2.gz YIERQLCZWPUFPM-ARFHVFGLSA-N 1 2 406.483 -0.789 20 0 HBADLO O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524714046 1071470162 /nfs/dbraw/zinc/47/01/62/1071470162.db2.gz YIERQLCZWPUFPM-BZUAXINKSA-N 1 2 406.483 -0.789 20 0 HBADLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524714047 1071470288 /nfs/dbraw/zinc/47/02/88/1071470288.db2.gz YIERQLCZWPUFPM-HRCADAONSA-N 1 2 406.483 -0.789 20 0 HBADLO O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000524714048 1071470253 /nfs/dbraw/zinc/47/02/53/1071470253.db2.gz YIERQLCZWPUFPM-OAGGEKHMSA-N 1 2 406.483 -0.789 20 0 HBADLO COC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000524723979 1071468548 /nfs/dbraw/zinc/46/85/48/1071468548.db2.gz OZKUEFKZKAMJDZ-CVEARBPZSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](CCO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000524723979 1071468546 /nfs/dbraw/zinc/46/85/46/1071468546.db2.gz OZKUEFKZKAMJDZ-CVEARBPZSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](CCO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000524723980 1071468554 /nfs/dbraw/zinc/46/85/54/1071468554.db2.gz OZKUEFKZKAMJDZ-HOTGVXAUSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@H](CCO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000524723980 1071468552 /nfs/dbraw/zinc/46/85/52/1071468552.db2.gz OZKUEFKZKAMJDZ-HOTGVXAUSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000524723981 1071468749 /nfs/dbraw/zinc/46/87/49/1071468749.db2.gz OZKUEFKZKAMJDZ-HZPDHXFCSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](CCO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000524723981 1071468742 /nfs/dbraw/zinc/46/87/42/1071468742.db2.gz OZKUEFKZKAMJDZ-HZPDHXFCSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000524723982 1071468632 /nfs/dbraw/zinc/46/86/32/1071468632.db2.gz OZKUEFKZKAMJDZ-JKSUJKDBSA-N 1 2 408.503 -0.021 20 0 HBADLO COC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000524723982 1071468623 /nfs/dbraw/zinc/46/86/23/1071468623.db2.gz OZKUEFKZKAMJDZ-JKSUJKDBSA-N 1 2 408.503 -0.021 20 0 HBADLO CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000524832805 1071478544 /nfs/dbraw/zinc/47/85/44/1071478544.db2.gz HNHUSZNKBKCEFQ-UHFFFAOYSA-N 1 2 403.487 -0.077 20 0 HBADLO COc1ccc(C(=O)NCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1OC ZINC000524839337 1071479552 /nfs/dbraw/zinc/47/95/52/1071479552.db2.gz HNCSNXOONYORSP-UHFFFAOYSA-N 1 2 402.455 -0.131 20 0 HBADLO CC(C)CCn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC000524855633 1071480305 /nfs/dbraw/zinc/48/03/05/1071480305.db2.gz RCBIHLRGZWXCAD-UHFFFAOYSA-N 1 2 413.548 -0.426 20 0 HBADLO COCC(=O)N[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(C)C ZINC000524959819 1071487709 /nfs/dbraw/zinc/48/77/09/1071487709.db2.gz GQCWKCAVLIJJFH-IBGZPJMESA-N 1 2 420.514 -0.251 20 0 HBADLO COCC(=O)N[C@H](C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C(C)C ZINC000524959819 1071487701 /nfs/dbraw/zinc/48/77/01/1071487701.db2.gz GQCWKCAVLIJJFH-IBGZPJMESA-N 1 2 420.514 -0.251 20 0 HBADLO NS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000524971434 1071490269 /nfs/dbraw/zinc/49/02/69/1071490269.db2.gz MMKWSZXHDYZMIE-UHFFFAOYSA-N 1 2 423.539 -0.913 20 0 HBADLO CN1C(=O)Cc2cc(S(=O)(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)ccc21 ZINC000525006257 1071491618 /nfs/dbraw/zinc/49/16/18/1071491618.db2.gz DOANJUCFJMVFFU-UHFFFAOYSA-N 1 2 420.495 -0.119 20 0 HBADLO Cc1nn(C)c2ncc(S(=O)(=O)Nc3cnn(CC(=O)NCC[NH+](C)C)c3)cc12 ZINC000525010169 1071493311 /nfs/dbraw/zinc/49/33/11/1071493311.db2.gz MFWOBHDZBFPJFS-UHFFFAOYSA-N 1 2 420.499 -0.048 20 0 HBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000525010814 1071493190 /nfs/dbraw/zinc/49/31/90/1071493190.db2.gz KMVZJRIYONBGGW-UHFFFAOYSA-N 1 2 419.471 -0.663 20 0 HBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cn1 ZINC000525011073 1071493266 /nfs/dbraw/zinc/49/32/66/1071493266.db2.gz YYAXBWCCBJGWJV-UHFFFAOYSA-N 1 2 422.467 -0.307 20 0 HBADLO CS(=O)(=O)C1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000525057622 1071497158 /nfs/dbraw/zinc/49/71/58/1071497158.db2.gz UDDMFBPHXICVIP-FHERZECASA-N 1 2 401.529 -0.361 20 0 HBADLO CS(=O)(=O)C1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000525057623 1071497328 /nfs/dbraw/zinc/49/73/28/1071497328.db2.gz UDDMFBPHXICVIP-QQFBHYJXSA-N 1 2 401.529 -0.361 20 0 HBADLO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1CCCC1=O ZINC000525106336 1071500709 /nfs/dbraw/zinc/50/07/09/1071500709.db2.gz NCROMWSRQVOFAZ-HNNXBMFYSA-N 1 2 401.533 -0.976 20 0 HBADLO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1CCCC1=O ZINC000525106339 1071500745 /nfs/dbraw/zinc/50/07/45/1071500745.db2.gz NCROMWSRQVOFAZ-OAHLLOKOSA-N 1 2 401.533 -0.976 20 0 HBADLO C[C@H](c1cccnc1)[NH+]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000525120553 1071503372 /nfs/dbraw/zinc/50/33/72/1071503372.db2.gz FWAHVTGTSWFXDM-GOSISDBHSA-N 1 2 402.543 -0.007 20 0 HBADLO C[C@@H](c1cccnc1)[NH+]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000525120554 1071503329 /nfs/dbraw/zinc/50/33/29/1071503329.db2.gz FWAHVTGTSWFXDM-SFHVURJKSA-N 1 2 402.543 -0.007 20 0 HBADLO CC(C)C[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCOCC1 ZINC000525178827 1071506297 /nfs/dbraw/zinc/50/62/97/1071506297.db2.gz REQRMVWERAWNJQ-CYBMUJFWSA-N 1 2 416.500 -0.480 20 0 HBADLO CC(C)C[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCOCC1 ZINC000525178828 1071506455 /nfs/dbraw/zinc/50/64/55/1071506455.db2.gz REQRMVWERAWNJQ-ZDUSSCGKSA-N 1 2 416.500 -0.480 20 0 HBADLO NS(=O)(=O)Cc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000525249719 1071509888 /nfs/dbraw/zinc/50/98/88/1071509888.db2.gz LQBLFOCGGUJSOQ-INIZCTEOSA-N 1 2 410.496 -0.862 20 0 HBADLO NS(=O)(=O)Cc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000525249720 1071510018 /nfs/dbraw/zinc/51/00/18/1071510018.db2.gz LQBLFOCGGUJSOQ-MRXNPFEDSA-N 1 2 410.496 -0.862 20 0 HBADLO CNC(=O)c1cccc(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000525408102 1071528693 /nfs/dbraw/zinc/52/86/93/1071528693.db2.gz IULVAPSAYSEYTF-GOSISDBHSA-N 1 2 402.495 -0.114 20 0 HBADLO CNC(=O)c1cccc(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000525408103 1071528898 /nfs/dbraw/zinc/52/88/98/1071528898.db2.gz IULVAPSAYSEYTF-SFHVURJKSA-N 1 2 402.495 -0.114 20 0 HBADLO CN1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000525438365 1071531662 /nfs/dbraw/zinc/53/16/62/1071531662.db2.gz ZLRLRBNLIVAFFM-HNNXBMFYSA-N 1 2 403.487 -0.234 20 0 HBADLO CN1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000525438365 1071531641 /nfs/dbraw/zinc/53/16/41/1071531641.db2.gz ZLRLRBNLIVAFFM-HNNXBMFYSA-N 1 2 403.487 -0.234 20 0 HBADLO CN1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1=O ZINC000525438366 1071531835 /nfs/dbraw/zinc/53/18/35/1071531835.db2.gz ZLRLRBNLIVAFFM-OAHLLOKOSA-N 1 2 403.487 -0.234 20 0 HBADLO CN1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1=O ZINC000525438366 1071531816 /nfs/dbraw/zinc/53/18/16/1071531816.db2.gz ZLRLRBNLIVAFFM-OAHLLOKOSA-N 1 2 403.487 -0.234 20 0 HBADLO CCc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)on1 ZINC000525464562 1071534863 /nfs/dbraw/zinc/53/48/63/1071534863.db2.gz GFSRWGMGQOYYIM-UHFFFAOYSA-N 1 2 400.505 -0.444 20 0 HBADLO CS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000525515654 1071537997 /nfs/dbraw/zinc/53/79/97/1071537997.db2.gz CWSRWHAAHACCLS-UHFFFAOYSA-N 1 2 422.551 -0.157 20 0 HBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cn1 ZINC000525523355 1068450795 /nfs/dbraw/zinc/45/07/95/1068450795.db2.gz AEHRDLNFIHQXTP-UHFFFAOYSA-N 1 2 406.468 -0.144 20 0 HBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cn1 ZINC000525523474 1071538851 /nfs/dbraw/zinc/53/88/51/1071538851.db2.gz DXDUZVAJUQELLS-UHFFFAOYSA-N 1 2 420.495 -0.352 20 0 HBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cn1 ZINC000525523882 1071538806 /nfs/dbraw/zinc/53/88/06/1071538806.db2.gz XLZJZBZJHPEBSP-UHFFFAOYSA-N 1 2 407.456 -0.056 20 0 HBADLO CC(C)CC(=O)NCCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000525579241 1071541710 /nfs/dbraw/zinc/54/17/10/1071541710.db2.gz ICVKUERVLXSSGL-UHFFFAOYSA-N 1 2 403.549 -0.825 20 0 HBADLO C[C@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C[NH+]1CCN(C)CC1 ZINC000525600967 1071542319 /nfs/dbraw/zinc/54/23/19/1071542319.db2.gz CJOGFYXTJWJSDZ-GFCCVEGCSA-N 1 2 410.500 -0.804 20 0 HBADLO C[C@@H](CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C[NH+]1CCN(C)CC1 ZINC000525600968 1071542433 /nfs/dbraw/zinc/54/24/33/1071542433.db2.gz CJOGFYXTJWJSDZ-LBPRGKRZSA-N 1 2 410.500 -0.804 20 0 HBADLO COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1-n1cnnn1 ZINC000525604228 1071543030 /nfs/dbraw/zinc/54/30/30/1071543030.db2.gz FEVYTSKPSHEYFG-AWEZNQCLSA-N 1 2 415.454 -0.210 20 0 HBADLO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1-n1cnnn1 ZINC000525604229 1071543101 /nfs/dbraw/zinc/54/31/01/1071543101.db2.gz FEVYTSKPSHEYFG-CQSZACIVSA-N 1 2 415.454 -0.210 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C)C[NH+]2CCOCC2)s1 ZINC000525690377 1068965963 /nfs/dbraw/zinc/96/59/63/1068965963.db2.gz AFKGKNGWDLGEKR-GFCCVEGCSA-N 1 2 418.541 -0.501 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)C[NH+]2CCOCC2)s1 ZINC000525690378 1068965850 /nfs/dbraw/zinc/96/58/50/1068965850.db2.gz AFKGKNGWDLGEKR-LBPRGKRZSA-N 1 2 418.541 -0.501 20 0 HBADLO Cc1cnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000525771561 1068971062 /nfs/dbraw/zinc/97/10/62/1068971062.db2.gz APNNBLZFAXFGKL-UHFFFAOYSA-N 1 2 402.546 -0.229 20 0 HBADLO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000525902124 1068983818 /nfs/dbraw/zinc/98/38/18/1068983818.db2.gz RHTFRZZJVNCWQM-HNNXBMFYSA-N 1 2 404.467 -0.314 20 0 HBADLO CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000525902125 1068983921 /nfs/dbraw/zinc/98/39/21/1068983921.db2.gz RHTFRZZJVNCWQM-OAHLLOKOSA-N 1 2 404.467 -0.314 20 0 HBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000526595411 1069001999 /nfs/dbraw/zinc/00/19/99/1069001999.db2.gz XQABXJZTWXVYFZ-PBHICJAKSA-N 1 2 421.450 -0.895 20 0 HBADLO COC(=O)[C@H]1CN(C(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c2ccccc2O1 ZINC000526595412 1069002542 /nfs/dbraw/zinc/00/25/42/1069002542.db2.gz XQABXJZTWXVYFZ-RHSMWYFYSA-N 1 2 421.450 -0.895 20 0 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HBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC000532577061 1069206803 /nfs/dbraw/zinc/20/68/03/1069206803.db2.gz JZPPTWCNSAKYPU-KRWDZBQOSA-N 1 2 410.540 -0.037 20 0 HBADLO COc1ccc(C[NH+]2CCN(C(=O)CN3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC000532577125 1069206923 /nfs/dbraw/zinc/20/69/23/1069206923.db2.gz JZPPTWCNSAKYPU-QGZVFWFLSA-N 1 2 410.540 -0.037 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000532580315 1069206788 /nfs/dbraw/zinc/20/67/88/1069206788.db2.gz VEUAGPQLGQKUGM-GOSISDBHSA-N 1 2 422.551 -0.111 20 0 HBADLO CS(=O)(=O)N[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000532580393 1069206897 /nfs/dbraw/zinc/20/68/97/1069206897.db2.gz VEUAGPQLGQKUGM-SFHVURJKSA-N 1 2 422.551 -0.111 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c(=O)n(C)c1=O ZINC000532581124 1069207601 /nfs/dbraw/zinc/20/76/01/1069207601.db2.gz OHFHQJIZPOOJOS-HNNXBMFYSA-N 1 2 407.515 -0.378 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(=O)n(C)c1=O ZINC000532581124 1069207585 /nfs/dbraw/zinc/20/75/85/1069207585.db2.gz OHFHQJIZPOOJOS-HNNXBMFYSA-N 1 2 407.515 -0.378 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](CN3CCOCC3)C2)c(=O)n(C)c1=O ZINC000532581143 1069207417 /nfs/dbraw/zinc/20/74/17/1069207417.db2.gz OHFHQJIZPOOJOS-OAHLLOKOSA-N 1 2 407.515 -0.378 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(=O)n(C)c1=O ZINC000532581143 1069207412 /nfs/dbraw/zinc/20/74/12/1069207412.db2.gz OHFHQJIZPOOJOS-OAHLLOKOSA-N 1 2 407.515 -0.378 20 0 HBADLO CCO[C@H]1C[C@H](O)C12CC[NH+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)CC2 ZINC000532586735 1069207493 /nfs/dbraw/zinc/20/74/93/1069207493.db2.gz SCNLGIVWBYHUOW-KBPBESRZSA-N 1 2 410.471 -0.388 20 0 HBADLO CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)CC2 ZINC000532586747 1069207627 /nfs/dbraw/zinc/20/76/27/1069207627.db2.gz SCNLGIVWBYHUOW-KGLIPLIRSA-N 1 2 410.471 -0.388 20 0 HBADLO CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)CC2 ZINC000532586753 1069207710 /nfs/dbraw/zinc/20/77/10/1069207710.db2.gz SCNLGIVWBYHUOW-UONOGXRCSA-N 1 2 410.471 -0.388 20 0 HBADLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O)CC2 ZINC000532586757 1069207733 /nfs/dbraw/zinc/20/77/33/1069207733.db2.gz SCNLGIVWBYHUOW-ZIAGYGMSSA-N 1 2 410.471 -0.388 20 0 HBADLO CCn1c(N)c(C(=O)C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c(=O)[nH]c1=O ZINC000532588877 1069207379 /nfs/dbraw/zinc/20/73/79/1069207379.db2.gz RRVCYFXSEQSZSY-UHFFFAOYSA-N 1 2 417.470 -0.391 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(c2cccnn2)CC1 ZINC000532596899 1069208712 /nfs/dbraw/zinc/20/87/12/1069208712.db2.gz JAYWJLAKDNHNJY-UHFFFAOYSA-N 1 2 414.470 -0.707 20 0 HBADLO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000532598626 1069599929 /nfs/dbraw/zinc/59/99/29/1069599929.db2.gz PTUVYKJRANELIJ-INIZCTEOSA-N 1 2 420.514 -0.081 20 0 HBADLO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000532598628 1069599845 /nfs/dbraw/zinc/59/98/45/1069599845.db2.gz PTUVYKJRANELIJ-MRXNPFEDSA-N 1 2 420.514 -0.081 20 0 HBADLO CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532598707 1069209314 /nfs/dbraw/zinc/20/93/14/1069209314.db2.gz UBLFQEMOVYIBNI-INIZCTEOSA-N 1 2 420.514 -0.081 20 0 HBADLO CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532598708 1069209421 /nfs/dbraw/zinc/20/94/21/1069209421.db2.gz UBLFQEMOVYIBNI-MRXNPFEDSA-N 1 2 420.514 -0.081 20 0 HBADLO O=C(NC[C@H](O)COc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000532599899 1069209461 /nfs/dbraw/zinc/20/94/61/1069209461.db2.gz WIHMGBNZSRDSNL-KRWDZBQOSA-N 1 2 417.466 -0.290 20 0 HBADLO O=C(NC[C@@H](O)COc1ccccc1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000532599900 1069209373 /nfs/dbraw/zinc/20/93/73/1069209373.db2.gz WIHMGBNZSRDSNL-QGZVFWFLSA-N 1 2 417.466 -0.290 20 0 HBADLO Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cn1 ZINC000532604326 1069209897 /nfs/dbraw/zinc/20/98/97/1069209897.db2.gz ZTDWJZADBIBYQA-INIZCTEOSA-N 1 2 415.498 -0.022 20 0 HBADLO Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)C2)cn1 ZINC000532604327 1069210190 /nfs/dbraw/zinc/21/01/90/1069210190.db2.gz ZTDWJZADBIBYQA-MRXNPFEDSA-N 1 2 415.498 -0.022 20 0 HBADLO COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000532607210 1069209856 /nfs/dbraw/zinc/20/98/56/1069209856.db2.gz UKOPXSPYIQZZRL-HNNXBMFYSA-N 1 2 419.482 -0.045 20 0 HBADLO COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1ccn(CC[NH+]3CCOCC3)n1)CC2 ZINC000532607214 1069209925 /nfs/dbraw/zinc/20/99/25/1069209925.db2.gz UKOPXSPYIQZZRL-OAHLLOKOSA-N 1 2 419.482 -0.045 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1)NC1CC1 ZINC000532636032 1069212057 /nfs/dbraw/zinc/21/20/57/1069212057.db2.gz QUXWLSSSNFDHLV-DLBZAZTESA-N 1 2 418.498 -0.140 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cn1)NC1CC1 ZINC000532636033 1069212005 /nfs/dbraw/zinc/21/20/05/1069212005.db2.gz QUXWLSSSNFDHLV-IAGOWNOFSA-N 1 2 418.498 -0.140 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1)NC1CC1 ZINC000532636034 1069211941 /nfs/dbraw/zinc/21/19/41/1069211941.db2.gz QUXWLSSSNFDHLV-IRXDYDNUSA-N 1 2 418.498 -0.140 20 0 HBADLO O=C(Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cn1)NC1CC1 ZINC000532636035 1069212431 /nfs/dbraw/zinc/21/24/31/1069212431.db2.gz QUXWLSSSNFDHLV-SJORKVTESA-N 1 2 418.498 -0.140 20 0 HBADLO COC(=O)CNC(=O)CC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000532659902 1069218093 /nfs/dbraw/zinc/21/80/93/1069218093.db2.gz HQLOTARCLSYXGR-UHFFFAOYSA-N 1 2 409.468 -0.452 20 0 HBADLO CC(C)NC(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000532660696 1069218261 /nfs/dbraw/zinc/21/82/61/1069218261.db2.gz MKWRZBBDFYFPMU-UHFFFAOYSA-N 1 2 418.541 -0.445 20 0 HBADLO CN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000532665521 1069218797 /nfs/dbraw/zinc/21/87/97/1069218797.db2.gz NDMLCVXGODERIC-INIZCTEOSA-N 1 2 423.539 -0.645 20 0 HBADLO CN(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000532665524 1069218877 /nfs/dbraw/zinc/21/88/77/1069218877.db2.gz NDMLCVXGODERIC-MRXNPFEDSA-N 1 2 423.539 -0.645 20 0 HBADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000532687893 1069223709 /nfs/dbraw/zinc/22/37/09/1069223709.db2.gz ROVXRASNYCUUFF-JTQLQIEISA-N 1 2 409.468 -0.811 20 0 HBADLO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000532687893 1069223697 /nfs/dbraw/zinc/22/36/97/1069223697.db2.gz ROVXRASNYCUUFF-JTQLQIEISA-N 1 2 409.468 -0.811 20 0 HBADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000532687894 1069223750 /nfs/dbraw/zinc/22/37/50/1069223750.db2.gz ROVXRASNYCUUFF-SNVBAGLBSA-N 1 2 409.468 -0.811 20 0 HBADLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000532687894 1069223738 /nfs/dbraw/zinc/22/37/38/1069223738.db2.gz ROVXRASNYCUUFF-SNVBAGLBSA-N 1 2 409.468 -0.811 20 0 HBADLO COC(=O)CN(CC(=O)OC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000532692776 1069223577 /nfs/dbraw/zinc/22/35/77/1069223577.db2.gz GYPYNPWPDZIXEJ-UHFFFAOYSA-N 1 2 419.478 -0.086 20 0 HBADLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000532706692 1069228344 /nfs/dbraw/zinc/22/83/44/1069228344.db2.gz HWFZDHHOKNRUKA-IAOVAPTHSA-N 1 2 424.523 -0.539 20 0 HBADLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000532706693 1069228482 /nfs/dbraw/zinc/22/84/82/1069228482.db2.gz HWFZDHHOKNRUKA-JQFCIGGWSA-N 1 2 424.523 -0.539 20 0 HBADLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000532706694 1069228572 /nfs/dbraw/zinc/22/85/72/1069228572.db2.gz HWFZDHHOKNRUKA-RRQGHBQHSA-N 1 2 424.523 -0.539 20 0 HBADLO CNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000532706695 1069228250 /nfs/dbraw/zinc/22/82/50/1069228250.db2.gz HWFZDHHOKNRUKA-XKQJLSEDSA-N 1 2 424.523 -0.539 20 0 HBADLO COc1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1 ZINC000532707978 1069228915 /nfs/dbraw/zinc/22/89/15/1069228915.db2.gz KCUKMDRJJZOMEL-DLBZAZTESA-N 1 2 413.496 -0.270 20 0 HBADLO COc1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc(OC)c1 ZINC000532707979 1069229059 /nfs/dbraw/zinc/22/90/59/1069229059.db2.gz KCUKMDRJJZOMEL-IAGOWNOFSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1 ZINC000532707980 1069229233 /nfs/dbraw/zinc/22/92/33/1069229233.db2.gz KCUKMDRJJZOMEL-IRXDYDNUSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc(OC)c1 ZINC000532707981 1069229016 /nfs/dbraw/zinc/22/90/16/1069229016.db2.gz KCUKMDRJJZOMEL-SJORKVTESA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000532708885 1069229637 /nfs/dbraw/zinc/22/96/37/1069229637.db2.gz KJUHCPSGABGOCQ-CVEARBPZSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000532708886 1069229803 /nfs/dbraw/zinc/22/98/03/1069229803.db2.gz KJUHCPSGABGOCQ-HOTGVXAUSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000532708887 1069229889 /nfs/dbraw/zinc/22/98/89/1069229889.db2.gz KJUHCPSGABGOCQ-HZPDHXFCSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000532708888 1069229498 /nfs/dbraw/zinc/22/94/98/1069229498.db2.gz KJUHCPSGABGOCQ-JKSUJKDBSA-N 1 2 413.496 -0.270 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000532709856 1069229943 /nfs/dbraw/zinc/22/99/43/1069229943.db2.gz BODPPHFNRCSRQB-JLJPHGGASA-N 1 2 422.507 -0.552 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000532709857 1069229709 /nfs/dbraw/zinc/22/97/09/1069229709.db2.gz BODPPHFNRCSRQB-LXZKKBNFSA-N 1 2 422.507 -0.552 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000532709858 1069229862 /nfs/dbraw/zinc/22/98/62/1069229862.db2.gz BODPPHFNRCSRQB-QRTARXTBSA-N 1 2 422.507 -0.552 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000532709859 1069229546 /nfs/dbraw/zinc/22/95/46/1069229546.db2.gz BODPPHFNRCSRQB-YSVLISHTSA-N 1 2 422.507 -0.552 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccc2nsnc21 ZINC000532710902 1069228823 /nfs/dbraw/zinc/22/88/23/1069228823.db2.gz VWSUDCZSVXDJDS-KBPBESRZSA-N 1 2 411.509 -0.283 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1cccc2nsnc21 ZINC000532710903 1069229190 /nfs/dbraw/zinc/22/91/90/1069229190.db2.gz VWSUDCZSVXDJDS-KGLIPLIRSA-N 1 2 411.509 -0.283 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccc2nsnc21 ZINC000532710904 1069229119 /nfs/dbraw/zinc/22/91/19/1069229119.db2.gz VWSUDCZSVXDJDS-UONOGXRCSA-N 1 2 411.509 -0.283 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1cccc2nsnc21 ZINC000532710905 1069228942 /nfs/dbraw/zinc/22/89/42/1069228942.db2.gz VWSUDCZSVXDJDS-ZIAGYGMSSA-N 1 2 411.509 -0.283 20 0 HBADLO CCN(C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1)S(C)(=O)=O ZINC000532713168 1069230988 /nfs/dbraw/zinc/23/09/88/1069230988.db2.gz CSCCLHZXYGOVCU-UHFFFAOYSA-N 1 2 412.578 -0.870 20 0 HBADLO NC(=O)c1ccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1 ZINC000532739950 1069236840 /nfs/dbraw/zinc/23/68/40/1069236840.db2.gz COQGAGKQJWAHGY-UHFFFAOYSA-N 1 2 417.466 -0.883 20 0 HBADLO CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000532751191 1069235940 /nfs/dbraw/zinc/23/59/40/1069235940.db2.gz XDRBXFBWSKRWLE-KRWDZBQOSA-N 1 2 423.539 -0.477 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)C1 ZINC000532751192 1069235779 /nfs/dbraw/zinc/23/57/79/1069235779.db2.gz XDRBXFBWSKRWLE-QGZVFWFLSA-N 1 2 423.539 -0.477 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@@H](S(=O)(=O)NC)C3)c(C)c[nH+]2)C1 ZINC000532756044 1069237771 /nfs/dbraw/zinc/23/77/71/1069237771.db2.gz MSFAEVQJCCQJAN-CHWSQXEVSA-N 1 2 418.545 -0.959 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)[nH+]cc2C)C1 ZINC000532756045 1069238051 /nfs/dbraw/zinc/23/80/51/1069238051.db2.gz MSFAEVQJCCQJAN-OLZOCXBDSA-N 1 2 418.545 -0.959 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)c(C)c[nH+]2)C1 ZINC000532756046 1069238189 /nfs/dbraw/zinc/23/81/89/1069238189.db2.gz MSFAEVQJCCQJAN-QWHCGFSZSA-N 1 2 418.545 -0.959 20 0 HBADLO CNS(=O)(=O)[C@H]1CCN(c2nc(N3CC[C@H](S(=O)(=O)NC)C3)c(C)c[nH+]2)C1 ZINC000532756047 1069238249 /nfs/dbraw/zinc/23/82/49/1069238249.db2.gz MSFAEVQJCCQJAN-STQMWFEESA-N 1 2 418.545 -0.959 20 0 HBADLO CCNC(=O)N1CCN(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000532756524 1069237653 /nfs/dbraw/zinc/23/76/53/1069237653.db2.gz CEXOJWKDTQNISA-UHFFFAOYSA-N 1 2 415.502 -0.641 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000532757294 1069238110 /nfs/dbraw/zinc/23/81/10/1069238110.db2.gz OALDCDXDXICQEG-GOSISDBHSA-N 1 2 410.540 -0.242 20 0 HBADLO CNS(=O)(=O)[C@H]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000532757295 1069238273 /nfs/dbraw/zinc/23/82/73/1069238273.db2.gz OALDCDXDXICQEG-SFHVURJKSA-N 1 2 410.540 -0.242 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000532819347 1069240856 /nfs/dbraw/zinc/24/08/56/1069240856.db2.gz LRSAPVQSIDNAJE-LLVKDONJSA-N 1 2 413.434 -0.535 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000532819347 1069240841 /nfs/dbraw/zinc/24/08/41/1069240841.db2.gz LRSAPVQSIDNAJE-LLVKDONJSA-N 1 2 413.434 -0.535 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000532819350 1069241034 /nfs/dbraw/zinc/24/10/34/1069241034.db2.gz LRSAPVQSIDNAJE-NSHDSACASA-N 1 2 413.434 -0.535 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000532819350 1069241024 /nfs/dbraw/zinc/24/10/24/1069241024.db2.gz LRSAPVQSIDNAJE-NSHDSACASA-N 1 2 413.434 -0.535 20 0 HBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)[C@@H]3CCCO3)CC1)c(=O)n2C ZINC000532897216 1069245226 /nfs/dbraw/zinc/24/52/26/1069245226.db2.gz XUJWIFBSSMHBBD-AWEZNQCLSA-N 1 2 404.471 -0.853 20 0 HBADLO Cn1cnc2c1c(=O)n(CCC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)c(=O)n2C ZINC000532897217 1069245244 /nfs/dbraw/zinc/24/52/44/1069245244.db2.gz XUJWIFBSSMHBBD-CQSZACIVSA-N 1 2 404.471 -0.853 20 0 HBADLO Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)c(=O)n(C)c1=O ZINC000532900136 1069245808 /nfs/dbraw/zinc/24/58/08/1069245808.db2.gz DHHCUABAQVVPLJ-UHFFFAOYSA-N 1 2 405.377 -0.761 20 0 HBADLO CCn1c(N)c(C(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(=O)[nH]c1=O ZINC000532919415 1069246864 /nfs/dbraw/zinc/24/68/64/1069246864.db2.gz XTRNXCLALOHIJN-UHFFFAOYSA-N 1 2 406.487 -0.636 20 0 HBADLO CCn1c(N)c(C(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(=O)[nH]c1=O ZINC000532919415 1069246854 /nfs/dbraw/zinc/24/68/54/1069246854.db2.gz XTRNXCLALOHIJN-UHFFFAOYSA-N 1 2 406.487 -0.636 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000532920601 1069247003 /nfs/dbraw/zinc/24/70/03/1069247003.db2.gz ACGOTDLOVDVPOC-CYBMUJFWSA-N 1 2 405.499 -0.038 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000532920602 1069246888 /nfs/dbraw/zinc/24/68/88/1069246888.db2.gz ACGOTDLOVDVPOC-ZDUSSCGKSA-N 1 2 405.499 -0.038 20 0 HBADLO COCCN(CC(=O)N(C)C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000532920825 1069246952 /nfs/dbraw/zinc/24/69/52/1069246952.db2.gz KTLLVKUGSRWIBJ-UHFFFAOYSA-N 1 2 418.502 -0.952 20 0 HBADLO O=C(CC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1)N1CCOCC1 ZINC000532927359 1069246500 /nfs/dbraw/zinc/24/65/00/1069246500.db2.gz CBGARAYSGHQOKZ-UHFFFAOYSA-N 1 2 423.495 -0.176 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960252 1069249247 /nfs/dbraw/zinc/24/92/47/1069249247.db2.gz IRQLOZHSTFETMF-NEPJUHHUSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960252 1069249243 /nfs/dbraw/zinc/24/92/43/1069249243.db2.gz IRQLOZHSTFETMF-NEPJUHHUSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960253 1069249549 /nfs/dbraw/zinc/24/95/49/1069249549.db2.gz IRQLOZHSTFETMF-NWDGAFQWSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960253 1069249536 /nfs/dbraw/zinc/24/95/36/1069249536.db2.gz IRQLOZHSTFETMF-NWDGAFQWSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960254 1069249412 /nfs/dbraw/zinc/24/94/12/1069249412.db2.gz IRQLOZHSTFETMF-RYUDHWBXSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000532960254 1069249401 /nfs/dbraw/zinc/24/94/01/1069249401.db2.gz IRQLOZHSTFETMF-RYUDHWBXSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960255 1069249269 /nfs/dbraw/zinc/24/92/69/1069249269.db2.gz IRQLOZHSTFETMF-VXGBXAGGSA-N 1 2 419.529 -0.834 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000532960255 1069249263 /nfs/dbraw/zinc/24/92/63/1069249263.db2.gz IRQLOZHSTFETMF-VXGBXAGGSA-N 1 2 419.529 -0.834 20 0 HBADLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000532961546 1069249381 /nfs/dbraw/zinc/24/93/81/1069249381.db2.gz RDMALPFLKJIROJ-LLVKDONJSA-N 1 2 413.456 -0.432 20 0 HBADLO NS(=O)(=O)NC[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000532961546 1069249369 /nfs/dbraw/zinc/24/93/69/1069249369.db2.gz RDMALPFLKJIROJ-LLVKDONJSA-N 1 2 413.456 -0.432 20 0 HBADLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000532961551 1069249339 /nfs/dbraw/zinc/24/93/39/1069249339.db2.gz RDMALPFLKJIROJ-NSHDSACASA-N 1 2 413.456 -0.432 20 0 HBADLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000532961551 1069249326 /nfs/dbraw/zinc/24/93/26/1069249326.db2.gz RDMALPFLKJIROJ-NSHDSACASA-N 1 2 413.456 -0.432 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH+](CCO)CCO)cc2)C[C@H](C)O1 ZINC000532966384 1069248163 /nfs/dbraw/zinc/24/81/63/1069248163.db2.gz RATMSMUWSIKLAU-GASCZTMLSA-N 1 2 415.512 -0.290 20 0 HBADLO C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH+](CCO)CCO)cc2)C[C@H](C)O1 ZINC000532966385 1069248064 /nfs/dbraw/zinc/24/80/64/1069248064.db2.gz RATMSMUWSIKLAU-GJZGRUSLSA-N 1 2 415.512 -0.290 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C[NH+](CCO)CCO)cc2)C[C@@H](C)O1 ZINC000532966386 1069248007 /nfs/dbraw/zinc/24/80/07/1069248007.db2.gz RATMSMUWSIKLAU-HUUCEWRRSA-N 1 2 415.512 -0.290 20 0 HBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532975126 1069251247 /nfs/dbraw/zinc/25/12/47/1069251247.db2.gz GMXZHRTXOHDROP-GXTWGEPZSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532975126 1069251244 /nfs/dbraw/zinc/25/12/44/1069251244.db2.gz GMXZHRTXOHDROP-GXTWGEPZSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532975130 1069251707 /nfs/dbraw/zinc/25/17/07/1069251707.db2.gz GMXZHRTXOHDROP-JSGCOSHPSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532975130 1069251704 /nfs/dbraw/zinc/25/17/04/1069251704.db2.gz GMXZHRTXOHDROP-JSGCOSHPSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532975132 1069252105 /nfs/dbraw/zinc/25/21/05/1069252105.db2.gz GMXZHRTXOHDROP-OCCSQVGLSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000532975132 1069252099 /nfs/dbraw/zinc/25/20/99/1069252099.db2.gz GMXZHRTXOHDROP-OCCSQVGLSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532975133 1069251967 /nfs/dbraw/zinc/25/19/67/1069251967.db2.gz GMXZHRTXOHDROP-TZMCWYRMSA-N 1 2 418.541 -0.995 20 0 HBADLO C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000532975133 1069251954 /nfs/dbraw/zinc/25/19/54/1069251954.db2.gz GMXZHRTXOHDROP-TZMCWYRMSA-N 1 2 418.541 -0.995 20 0 HBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532995802 1069252018 /nfs/dbraw/zinc/25/20/18/1069252018.db2.gz PVJPNRJWZKRESS-HNNXBMFYSA-N 1 2 406.487 -0.329 20 0 HBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000532995805 1069251845 /nfs/dbraw/zinc/25/18/45/1069251845.db2.gz PVJPNRJWZKRESS-OAHLLOKOSA-N 1 2 406.487 -0.329 20 0 HBADLO CC1(C)COCCN1CCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000532997178 1069251743 /nfs/dbraw/zinc/25/17/43/1069251743.db2.gz HHAHGSYECZAWSK-UHFFFAOYSA-N 1 2 408.503 -0.619 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)N1CCOCC1 ZINC000532998731 1069252069 /nfs/dbraw/zinc/25/20/69/1069252069.db2.gz NCWRKGSQVFAWJR-CVEARBPZSA-N 1 2 408.503 -0.621 20 0 HBADLO C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)N1CCOCC1 ZINC000532998733 1069251996 /nfs/dbraw/zinc/25/19/96/1069251996.db2.gz NCWRKGSQVFAWJR-HOTGVXAUSA-N 1 2 408.503 -0.621 20 0 HBADLO C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@@H](C)N1CCOCC1 ZINC000532998734 1069251885 /nfs/dbraw/zinc/25/18/85/1069251885.db2.gz NCWRKGSQVFAWJR-HZPDHXFCSA-N 1 2 408.503 -0.621 20 0 HBADLO C[C@H]([C@H](C)NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000532998735 1069252122 /nfs/dbraw/zinc/25/21/22/1069252122.db2.gz NCWRKGSQVFAWJR-JKSUJKDBSA-N 1 2 408.503 -0.621 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000532998797 1069608975 /nfs/dbraw/zinc/60/89/75/1069608975.db2.gz YNCUNKOSKZUNAV-CYBMUJFWSA-N 1 2 418.420 -0.093 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000532998798 1069608852 /nfs/dbraw/zinc/60/88/52/1069608852.db2.gz YNCUNKOSKZUNAV-ZDUSSCGKSA-N 1 2 418.420 -0.093 20 0 HBADLO CC1(C)CN(CCNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000532998840 1069252084 /nfs/dbraw/zinc/25/20/84/1069252084.db2.gz XMIRLVMTZGOOCN-UHFFFAOYSA-N 1 2 408.503 -0.619 20 0 HBADLO O=C(CNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CCCCC1 ZINC000532998963 1069573453 /nfs/dbraw/zinc/57/34/53/1069573453.db2.gz SHGUQRGAOKBSTM-UHFFFAOYSA-N 1 2 406.487 -0.281 20 0 HBADLO Cn1cc(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)cn1 ZINC000533000387 1069252638 /nfs/dbraw/zinc/25/26/38/1069252638.db2.gz OMGRVWFYFJXCKD-UHFFFAOYSA-N 1 2 416.486 -0.764 20 0 HBADLO COC(=O)CCC1CC[NH+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000533022887 1069253151 /nfs/dbraw/zinc/25/31/51/1069253151.db2.gz RONVDHBLCUTAPL-KRWDZBQOSA-N 1 2 415.556 -0.017 20 0 HBADLO COC(=O)CCC1CC[NH+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000533022960 1069253110 /nfs/dbraw/zinc/25/31/10/1069253110.db2.gz RONVDHBLCUTAPL-QGZVFWFLSA-N 1 2 415.556 -0.017 20 0 HBADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000533030872 1069254948 /nfs/dbraw/zinc/25/49/48/1069254948.db2.gz PFPMCBHPAMSPAS-UHFFFAOYSA-N 1 2 423.495 -0.109 20 0 HBADLO CCCCn1c(N)c(N(C)CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(=O)[nH]c1=O ZINC000533031267 1069253680 /nfs/dbraw/zinc/25/36/80/1069253680.db2.gz WNEKMWTUFKPUSV-UHFFFAOYSA-N 1 2 410.519 -0.006 20 0 HBADLO CC(C)(CNC(=O)CN1CCN(c2ccc(C(N)=O)cn2)CC1)[NH+]1CCOCC1 ZINC000533035012 1069254272 /nfs/dbraw/zinc/25/42/72/1069254272.db2.gz GPKXWAWACMTAHD-UHFFFAOYSA-N 1 2 404.515 -0.471 20 0 HBADLO O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533051698 1069255634 /nfs/dbraw/zinc/25/56/34/1069255634.db2.gz QSLHTJJKWYKNJZ-GDBMZVCRSA-N 1 2 407.492 -0.188 20 0 HBADLO O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533051699 1069255354 /nfs/dbraw/zinc/25/53/54/1069255354.db2.gz QSLHTJJKWYKNJZ-GOEBONIOSA-N 1 2 407.492 -0.188 20 0 HBADLO O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533051700 1069255333 /nfs/dbraw/zinc/25/53/33/1069255333.db2.gz QSLHTJJKWYKNJZ-HOCLYGCPSA-N 1 2 407.492 -0.188 20 0 HBADLO O=C(N[C@H]1CS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000533051701 1069255676 /nfs/dbraw/zinc/25/56/76/1069255676.db2.gz QSLHTJJKWYKNJZ-ZBFHGGJFSA-N 1 2 407.492 -0.188 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000533057695 1069256846 /nfs/dbraw/zinc/25/68/46/1069256846.db2.gz SNPABIIJEMKHLL-CABCVRRESA-N 1 2 411.480 -0.516 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000533057696 1069256753 /nfs/dbraw/zinc/25/67/53/1069256753.db2.gz SNPABIIJEMKHLL-GJZGRUSLSA-N 1 2 411.480 -0.516 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000533057697 1069256553 /nfs/dbraw/zinc/25/65/53/1069256553.db2.gz SNPABIIJEMKHLL-HUUCEWRRSA-N 1 2 411.480 -0.516 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc2c(c1)OCCO2 ZINC000533057698 1069256794 /nfs/dbraw/zinc/25/67/94/1069256794.db2.gz SNPABIIJEMKHLL-LSDHHAIUSA-N 1 2 411.480 -0.516 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000533057886 1069256318 /nfs/dbraw/zinc/25/63/18/1069256318.db2.gz ZCSUEWVFTCDVPS-CYBMUJFWSA-N 1 2 405.499 -0.038 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000533057887 1069256096 /nfs/dbraw/zinc/25/60/96/1069256096.db2.gz ZCSUEWVFTCDVPS-ZDUSSCGKSA-N 1 2 405.499 -0.038 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000533057896 1069256259 /nfs/dbraw/zinc/25/62/59/1069256259.db2.gz ZGZBKWBTFCHYRJ-APHBMKBZSA-N 1 2 410.496 -0.800 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000533057897 1069256862 /nfs/dbraw/zinc/25/68/62/1069256862.db2.gz ZGZBKWBTFCHYRJ-MAZHCROVSA-N 1 2 410.496 -0.800 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000533057898 1069256627 /nfs/dbraw/zinc/25/66/27/1069256627.db2.gz ZGZBKWBTFCHYRJ-RCBQFDQVSA-N 1 2 410.496 -0.800 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000533057899 1069256697 /nfs/dbraw/zinc/25/66/97/1069256697.db2.gz ZGZBKWBTFCHYRJ-VBNZEHGJSA-N 1 2 410.496 -0.800 20 0 HBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058503 1069257200 /nfs/dbraw/zinc/25/72/00/1069257200.db2.gz KQKCTYABDINNJA-CABCVRRESA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058503 1069257193 /nfs/dbraw/zinc/25/71/93/1069257193.db2.gz KQKCTYABDINNJA-CABCVRRESA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058513 1069257326 /nfs/dbraw/zinc/25/73/26/1069257326.db2.gz KQKCTYABDINNJA-GJZGRUSLSA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058513 1069257313 /nfs/dbraw/zinc/25/73/13/1069257313.db2.gz KQKCTYABDINNJA-GJZGRUSLSA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058514 1069257296 /nfs/dbraw/zinc/25/72/96/1069257296.db2.gz KQKCTYABDINNJA-HUUCEWRRSA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058514 1069257285 /nfs/dbraw/zinc/25/72/85/1069257285.db2.gz KQKCTYABDINNJA-HUUCEWRRSA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058516 1069257467 /nfs/dbraw/zinc/25/74/67/1069257467.db2.gz KQKCTYABDINNJA-LSDHHAIUSA-N 1 2 412.512 -0.034 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(C(=O)c3ccco3)CC2)C1 ZINC000533058516 1069257452 /nfs/dbraw/zinc/25/74/52/1069257452.db2.gz KQKCTYABDINNJA-LSDHHAIUSA-N 1 2 412.512 -0.034 20 0 HBADLO COc1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000533058657 1069257348 /nfs/dbraw/zinc/25/73/48/1069257348.db2.gz NKMHSEJJWRCIMT-CABCVRRESA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1OC ZINC000533058662 1069257430 /nfs/dbraw/zinc/25/74/30/1069257430.db2.gz NKMHSEJJWRCIMT-GJZGRUSLSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000533058664 1069257245 /nfs/dbraw/zinc/25/72/45/1069257245.db2.gz NKMHSEJJWRCIMT-HUUCEWRRSA-N 1 2 413.496 -0.270 20 0 HBADLO COc1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1OC ZINC000533058666 1069257486 /nfs/dbraw/zinc/25/74/86/1069257486.db2.gz NKMHSEJJWRCIMT-LSDHHAIUSA-N 1 2 413.496 -0.270 20 0 HBADLO Cc1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n(C(C)(C)C)n1 ZINC000533059133 1069258453 /nfs/dbraw/zinc/25/84/53/1069258453.db2.gz SDKVRPBZPVVCCG-CABCVRRESA-N 1 2 413.544 -0.028 20 0 HBADLO Cc1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)n(C(C)(C)C)n1 ZINC000533059136 1069258577 /nfs/dbraw/zinc/25/85/77/1069258577.db2.gz SDKVRPBZPVVCCG-GJZGRUSLSA-N 1 2 413.544 -0.028 20 0 HBADLO Cc1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n(C(C)(C)C)n1 ZINC000533059137 1069258301 /nfs/dbraw/zinc/25/83/01/1069258301.db2.gz SDKVRPBZPVVCCG-HUUCEWRRSA-N 1 2 413.544 -0.028 20 0 HBADLO Cc1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)n(C(C)(C)C)n1 ZINC000533059138 1069258745 /nfs/dbraw/zinc/25/87/45/1069258745.db2.gz SDKVRPBZPVVCCG-LSDHHAIUSA-N 1 2 413.544 -0.028 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000533059502 1069258733 /nfs/dbraw/zinc/25/87/33/1069258733.db2.gz KUMOFUPCMPVMFD-AEGPPILISA-N 1 2 411.480 -0.170 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000533059503 1069258419 /nfs/dbraw/zinc/25/84/19/1069258419.db2.gz KUMOFUPCMPVMFD-CFVMTHIKSA-N 1 2 411.480 -0.170 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000533059504 1069258480 /nfs/dbraw/zinc/25/84/80/1069258480.db2.gz KUMOFUPCMPVMFD-NWANDNLSSA-N 1 2 411.480 -0.170 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000533059505 1069258689 /nfs/dbraw/zinc/25/86/89/1069258689.db2.gz KUMOFUPCMPVMFD-QEJZJMRPSA-N 1 2 411.480 -0.170 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1nc2c(s1)CCC2 ZINC000533059533 1069258616 /nfs/dbraw/zinc/25/86/16/1069258616.db2.gz MHCAGDYYEKJJRU-CHWSQXEVSA-N 1 2 400.526 -0.342 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1nc2c(s1)CCC2 ZINC000533059534 1069258598 /nfs/dbraw/zinc/25/85/98/1069258598.db2.gz MHCAGDYYEKJJRU-OLZOCXBDSA-N 1 2 400.526 -0.342 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1nc2c(s1)CCC2 ZINC000533059535 1069258359 /nfs/dbraw/zinc/25/83/59/1069258359.db2.gz MHCAGDYYEKJJRU-QWHCGFSZSA-N 1 2 400.526 -0.342 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1nc2c(s1)CCC2 ZINC000533059536 1069259423 /nfs/dbraw/zinc/25/94/23/1069259423.db2.gz MHCAGDYYEKJJRU-STQMWFEESA-N 1 2 400.526 -0.342 20 0 HBADLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)on1 ZINC000533060048 1069259070 /nfs/dbraw/zinc/25/90/70/1069259070.db2.gz AVLFLZYDLFPXHO-CHWSQXEVSA-N 1 2 400.501 -0.002 20 0 HBADLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)on1 ZINC000533060049 1069259325 /nfs/dbraw/zinc/25/93/25/1069259325.db2.gz AVLFLZYDLFPXHO-OLZOCXBDSA-N 1 2 400.501 -0.002 20 0 HBADLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)on1 ZINC000533060050 1069259374 /nfs/dbraw/zinc/25/93/74/1069259374.db2.gz AVLFLZYDLFPXHO-QWHCGFSZSA-N 1 2 400.501 -0.002 20 0 HBADLO CC(C)(C)c1cc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)on1 ZINC000533060051 1069259033 /nfs/dbraw/zinc/25/90/33/1069259033.db2.gz AVLFLZYDLFPXHO-STQMWFEESA-N 1 2 400.501 -0.002 20 0 HBADLO COc1cccc(S(=O)(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533061009 1069259190 /nfs/dbraw/zinc/25/91/90/1069259190.db2.gz ZRMLSLZIGKSTAD-DLBZAZTESA-N 1 2 418.537 -0.444 20 0 HBADLO COc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000533061012 1069259444 /nfs/dbraw/zinc/25/94/44/1069259444.db2.gz ZRMLSLZIGKSTAD-IAGOWNOFSA-N 1 2 418.537 -0.444 20 0 HBADLO COc1cccc(S(=O)(=O)CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533061013 1069258915 /nfs/dbraw/zinc/25/89/15/1069258915.db2.gz ZRMLSLZIGKSTAD-IRXDYDNUSA-N 1 2 418.537 -0.444 20 0 HBADLO COc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000533061014 1069259094 /nfs/dbraw/zinc/25/90/94/1069259094.db2.gz ZRMLSLZIGKSTAD-SJORKVTESA-N 1 2 418.537 -0.444 20 0 HBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000533063682 1069259847 /nfs/dbraw/zinc/25/98/47/1069259847.db2.gz KWRPJPCXPQOLQB-UHFFFAOYSA-N 1 2 412.578 -0.870 20 0 HBADLO COc1ccc(C(=O)NCCN2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000533064004 1069259730 /nfs/dbraw/zinc/25/97/30/1069259730.db2.gz PRVXPHNIGVHFAX-UHFFFAOYSA-N 1 2 415.494 -0.360 20 0 HBADLO COc1ccc(C(=O)NCC[NH+]2CCN(Cc3cc(=O)n(C)c(=O)n3C)CC2)cc1 ZINC000533064004 1069259713 /nfs/dbraw/zinc/25/97/13/1069259713.db2.gz PRVXPHNIGVHFAX-UHFFFAOYSA-N 1 2 415.494 -0.360 20 0 HBADLO CNS(=O)(=O)[C@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000533083046 1069261556 /nfs/dbraw/zinc/26/15/56/1069261556.db2.gz JCCOUCVVXQEZBY-HNNXBMFYSA-N 1 2 409.512 -0.340 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000533083047 1069261684 /nfs/dbraw/zinc/26/16/84/1069261684.db2.gz JCCOUCVVXQEZBY-OAHLLOKOSA-N 1 2 409.512 -0.340 20 0 HBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000533086473 1069262904 /nfs/dbraw/zinc/26/29/04/1069262904.db2.gz IEYKYMDPZJWVQT-CYBMUJFWSA-N 1 2 400.526 -0.344 20 0 HBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000533086473 1069262894 /nfs/dbraw/zinc/26/28/94/1069262894.db2.gz IEYKYMDPZJWVQT-CYBMUJFWSA-N 1 2 400.526 -0.344 20 0 HBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000533086474 1069262927 /nfs/dbraw/zinc/26/29/27/1069262927.db2.gz IEYKYMDPZJWVQT-ZDUSSCGKSA-N 1 2 400.526 -0.344 20 0 HBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000533086474 1069262914 /nfs/dbraw/zinc/26/29/14/1069262914.db2.gz IEYKYMDPZJWVQT-ZDUSSCGKSA-N 1 2 400.526 -0.344 20 0 HBADLO CNS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000533086731 1069263097 /nfs/dbraw/zinc/26/30/97/1069263097.db2.gz CLCPXGJTWDQKDF-INIZCTEOSA-N 1 2 409.512 -0.014 20 0 HBADLO CNS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000533086731 1069263084 /nfs/dbraw/zinc/26/30/84/1069263084.db2.gz CLCPXGJTWDQKDF-INIZCTEOSA-N 1 2 409.512 -0.014 20 0 HBADLO CNS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000533086732 1069263012 /nfs/dbraw/zinc/26/30/12/1069263012.db2.gz CLCPXGJTWDQKDF-MRXNPFEDSA-N 1 2 409.512 -0.014 20 0 HBADLO CNS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000533086732 1069263000 /nfs/dbraw/zinc/26/30/00/1069263000.db2.gz CLCPXGJTWDQKDF-MRXNPFEDSA-N 1 2 409.512 -0.014 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000533087103 1069263493 /nfs/dbraw/zinc/26/34/93/1069263493.db2.gz UJIJCAVJYHTVOK-GOSISDBHSA-N 1 2 422.551 -0.111 20 0 HBADLO CNS(=O)(=O)[C@H]1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000533087104 1069263561 /nfs/dbraw/zinc/26/35/61/1069263561.db2.gz UJIJCAVJYHTVOK-SFHVURJKSA-N 1 2 422.551 -0.111 20 0 HBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1=O ZINC000533135004 1069264861 /nfs/dbraw/zinc/26/48/61/1069264861.db2.gz ALIIBSRLPANLJT-INIZCTEOSA-N 1 2 422.482 -0.177 20 0 HBADLO CCOC(=O)Cn1cccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1=O ZINC000533135005 1069264695 /nfs/dbraw/zinc/26/46/95/1069264695.db2.gz ALIIBSRLPANLJT-MRXNPFEDSA-N 1 2 422.482 -0.177 20 0 HBADLO COCCNC(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000533218574 1069267364 /nfs/dbraw/zinc/26/73/64/1069267364.db2.gz TXVPPWMEYTZBBA-UHFFFAOYSA-N 1 2 423.583 -0.228 20 0 HBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000533238480 1069269579 /nfs/dbraw/zinc/26/95/79/1069269579.db2.gz FOSZZRLQUDDRJK-UHFFFAOYSA-N 1 2 407.471 -0.305 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]c1=O ZINC000533238985 1069269520 /nfs/dbraw/zinc/26/95/20/1069269520.db2.gz KDMZKNILVGUTIT-UHFFFAOYSA-N 1 2 421.498 -0.059 20 0 HBADLO Cc1cccn2c(=O)cc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nc12 ZINC000533239480 1069268266 /nfs/dbraw/zinc/26/82/66/1069268266.db2.gz PDGBEPONJAJVTL-UHFFFAOYSA-N 1 2 420.539 -0.387 20 0 HBADLO C[C@@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533239500 1069267776 /nfs/dbraw/zinc/26/77/76/1069267776.db2.gz RQDSCMCYJQYGOL-INIZCTEOSA-N 1 2 401.577 -0.066 20 0 HBADLO C[C@H](C(=O)NC1CCCCC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533239501 1069268005 /nfs/dbraw/zinc/26/80/05/1069268005.db2.gz RQDSCMCYJQYGOL-MRXNPFEDSA-N 1 2 401.577 -0.066 20 0 HBADLO C[C@H](C(=O)Nc1nccs1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533239517 1069267940 /nfs/dbraw/zinc/26/79/40/1069267940.db2.gz UDDSAECXFKPDJB-CYBMUJFWSA-N 1 2 402.546 -0.420 20 0 HBADLO C[C@@H](C(=O)Nc1nccs1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533239518 1069268488 /nfs/dbraw/zinc/26/84/88/1069268488.db2.gz UDDSAECXFKPDJB-ZDUSSCGKSA-N 1 2 402.546 -0.420 20 0 HBADLO C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533239584 1069268215 /nfs/dbraw/zinc/26/82/15/1069268215.db2.gz FGQLNFKLAYEGNM-AWEZNQCLSA-N 1 2 418.564 -0.891 20 0 HBADLO C[C@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000533239585 1069268442 /nfs/dbraw/zinc/26/84/42/1069268442.db2.gz FGQLNFKLAYEGNM-CQSZACIVSA-N 1 2 418.564 -0.891 20 0 HBADLO NS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(C(=O)C(=O)NC3CC3)CC2)c1 ZINC000533242567 1069268555 /nfs/dbraw/zinc/26/85/55/1069268555.db2.gz QKRRPGVHZCXJAU-UHFFFAOYSA-N 1 2 423.495 -0.915 20 0 HBADLO NC(=O)NC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000533248908 1069270291 /nfs/dbraw/zinc/27/02/91/1069270291.db2.gz OSFQSWCEJMEEQY-UHFFFAOYSA-N 1 2 410.456 -0.450 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000533262938 1069271462 /nfs/dbraw/zinc/27/14/62/1069271462.db2.gz HBYMYJQYYIUGTA-GOSISDBHSA-N 1 2 418.494 -0.120 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000533262938 1069271451 /nfs/dbraw/zinc/27/14/51/1069271451.db2.gz HBYMYJQYYIUGTA-GOSISDBHSA-N 1 2 418.494 -0.120 20 0 HBADLO 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ZINC000533325355 1069275383 /nfs/dbraw/zinc/27/53/83/1069275383.db2.gz SCOMXDQTEISNJY-QGZVFWFLSA-N 1 2 418.498 -0.233 20 0 HBADLO COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000533325743 1069275467 /nfs/dbraw/zinc/27/54/67/1069275467.db2.gz KMBNWIFGMLAUFO-INIZCTEOSA-N 1 2 419.482 -0.045 20 0 HBADLO COC(=O)[C@H]1CC12CCN(C(=O)C(=O)Nc1cnn(CC[NH+]3CCOCC3)c1)CC2 ZINC000533325744 1069275329 /nfs/dbraw/zinc/27/53/29/1069275329.db2.gz KMBNWIFGMLAUFO-MRXNPFEDSA-N 1 2 419.482 -0.045 20 0 HBADLO O=C(NCC1(O)Cc2ccccc2C1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000533326360 1069581013 /nfs/dbraw/zinc/58/10/13/1069581013.db2.gz HTKRMUCNTPLCKR-UHFFFAOYSA-N 1 2 413.478 -0.200 20 0 HBADLO O=C1C(=O)N(CCn2nc3ccccn3c2=O)C(=O)N1CCC[NH+]1CCOCC1 ZINC000533329650 1069275218 /nfs/dbraw/zinc/27/52/18/1069275218.db2.gz MAOUZYHRWLCXFC-UHFFFAOYSA-N 1 2 402.411 -0.991 20 0 HBADLO CNC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533342392 1069275915 /nfs/dbraw/zinc/27/59/15/1069275915.db2.gz POMVDJOJWBFOJR-HNNXBMFYSA-N 1 2 400.487 -0.388 20 0 HBADLO CNC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533342392 1069275900 /nfs/dbraw/zinc/27/59/00/1069275900.db2.gz POMVDJOJWBFOJR-HNNXBMFYSA-N 1 2 400.487 -0.388 20 0 HBADLO CNC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533342393 1069276618 /nfs/dbraw/zinc/27/66/18/1069276618.db2.gz POMVDJOJWBFOJR-OAHLLOKOSA-N 1 2 400.487 -0.388 20 0 HBADLO CNC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000533342393 1069276611 /nfs/dbraw/zinc/27/66/11/1069276611.db2.gz POMVDJOJWBFOJR-OAHLLOKOSA-N 1 2 400.487 -0.388 20 0 HBADLO CCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000533357537 1069278454 /nfs/dbraw/zinc/27/84/54/1069278454.db2.gz RGWBCBREKZRBTP-AWEZNQCLSA-N 1 2 421.527 -0.479 20 0 HBADLO CCN(CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000533357538 1069278534 /nfs/dbraw/zinc/27/85/34/1069278534.db2.gz RGWBCBREKZRBTP-CQSZACIVSA-N 1 2 421.527 -0.479 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533358554 1069276712 /nfs/dbraw/zinc/27/67/12/1069276712.db2.gz ZHYWKAMJJPDPJY-OLZOCXBDSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533358554 1069276698 /nfs/dbraw/zinc/27/66/98/1069276698.db2.gz ZHYWKAMJJPDPJY-OLZOCXBDSA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533358555 1069276486 /nfs/dbraw/zinc/27/64/86/1069276486.db2.gz ZHYWKAMJJPDPJY-STQMWFEESA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000533358555 1069276477 /nfs/dbraw/zinc/27/64/77/1069276477.db2.gz ZHYWKAMJJPDPJY-STQMWFEESA-N 1 2 418.541 -0.078 20 0 HBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000533359547 1069276675 /nfs/dbraw/zinc/27/66/75/1069276675.db2.gz IOFGAXIPXPAOFS-INIZCTEOSA-N 1 2 424.509 -0.170 20 0 HBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000533359548 1069276544 /nfs/dbraw/zinc/27/65/44/1069276544.db2.gz IOFGAXIPXPAOFS-MRXNPFEDSA-N 1 2 424.509 -0.170 20 0 HBADLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533382154 1069280595 /nfs/dbraw/zinc/28/05/95/1069280595.db2.gz CUXSZYGSHQTEAT-CVEARBPZSA-N 1 2 411.480 -0.501 20 0 HBADLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533382157 1069280635 /nfs/dbraw/zinc/28/06/35/1069280635.db2.gz CUXSZYGSHQTEAT-HOTGVXAUSA-N 1 2 411.480 -0.501 20 0 HBADLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533382158 1069280499 /nfs/dbraw/zinc/28/04/99/1069280499.db2.gz CUXSZYGSHQTEAT-HZPDHXFCSA-N 1 2 411.480 -0.501 20 0 HBADLO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533382159 1069280614 /nfs/dbraw/zinc/28/06/14/1069280614.db2.gz CUXSZYGSHQTEAT-JKSUJKDBSA-N 1 2 411.480 -0.501 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CC(=O)Nc2ccccc21 ZINC000533383499 1069282115 /nfs/dbraw/zinc/28/21/15/1069282115.db2.gz VEBSJMUVOSIRMT-GDBMZVCRSA-N 1 2 408.480 -0.941 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)N1CC(=O)Nc2ccccc21 ZINC000533383500 1069282090 /nfs/dbraw/zinc/28/20/90/1069282090.db2.gz VEBSJMUVOSIRMT-GOEBONIOSA-N 1 2 408.480 -0.941 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CC(=O)Nc2ccccc21 ZINC000533383501 1069282275 /nfs/dbraw/zinc/28/22/75/1069282275.db2.gz VEBSJMUVOSIRMT-HOCLYGCPSA-N 1 2 408.480 -0.941 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)N1CC(=O)Nc2ccccc21 ZINC000533383502 1069282184 /nfs/dbraw/zinc/28/21/84/1069282184.db2.gz VEBSJMUVOSIRMT-ZBFHGGJFSA-N 1 2 408.480 -0.941 20 0 HBADLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533383526 1069282139 /nfs/dbraw/zinc/28/21/39/1069282139.db2.gz OEKZKXFWRVPDMB-DLBZAZTESA-N 1 2 410.496 -0.329 20 0 HBADLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000533383527 1069282233 /nfs/dbraw/zinc/28/22/33/1069282233.db2.gz OEKZKXFWRVPDMB-IAGOWNOFSA-N 1 2 410.496 -0.329 20 0 HBADLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533383528 1069282063 /nfs/dbraw/zinc/28/20/63/1069282063.db2.gz OEKZKXFWRVPDMB-IRXDYDNUSA-N 1 2 410.496 -0.329 20 0 HBADLO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000533383529 1069282222 /nfs/dbraw/zinc/28/22/22/1069282222.db2.gz OEKZKXFWRVPDMB-SJORKVTESA-N 1 2 410.496 -0.329 20 0 HBADLO CCN(C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1)S(C)(=O)=O ZINC000533385924 1069282728 /nfs/dbraw/zinc/28/27/28/1069282728.db2.gz VSTGGXLWANWSNW-UHFFFAOYSA-N 1 2 400.545 -0.187 20 0 HBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000533386528 1069282701 /nfs/dbraw/zinc/28/27/01/1069282701.db2.gz RXTLTXBEJCRDDJ-UHFFFAOYSA-N 1 2 400.545 -0.187 20 0 HBADLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533397155 1068254005 /nfs/dbraw/zinc/25/40/05/1068254005.db2.gz DBNAIUMPOMQCNJ-DLBZAZTESA-N 1 2 414.572 -0.444 20 0 HBADLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533397155 1068253987 /nfs/dbraw/zinc/25/39/87/1068253987.db2.gz DBNAIUMPOMQCNJ-DLBZAZTESA-N 1 2 414.572 -0.444 20 0 HBADLO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533397171 1069283160 /nfs/dbraw/zinc/28/31/60/1069283160.db2.gz DBNAIUMPOMQCNJ-IRXDYDNUSA-N 1 2 414.572 -0.444 20 0 HBADLO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533397171 1069283153 /nfs/dbraw/zinc/28/31/53/1069283153.db2.gz DBNAIUMPOMQCNJ-IRXDYDNUSA-N 1 2 414.572 -0.444 20 0 HBADLO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533397175 1069283042 /nfs/dbraw/zinc/28/30/42/1069283042.db2.gz DBNAIUMPOMQCNJ-SJORKVTESA-N 1 2 414.572 -0.444 20 0 HBADLO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000533397175 1069283030 /nfs/dbraw/zinc/28/30/30/1069283030.db2.gz DBNAIUMPOMQCNJ-SJORKVTESA-N 1 2 414.572 -0.444 20 0 HBADLO CC(C)[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCS1(=O)=O ZINC000533405711 1069283073 /nfs/dbraw/zinc/28/30/73/1069283073.db2.gz UKDRMXNJRYXZBO-DOTOQJQBSA-N 1 2 416.544 -0.904 20 0 HBADLO CC(C)[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCS1(=O)=O ZINC000533405722 1069283266 /nfs/dbraw/zinc/28/32/66/1069283266.db2.gz UKDRMXNJRYXZBO-NVXWUHKLSA-N 1 2 416.544 -0.904 20 0 HBADLO CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCS1(=O)=O ZINC000533405723 1069283117 /nfs/dbraw/zinc/28/31/17/1069283117.db2.gz UKDRMXNJRYXZBO-RDJZCZTQSA-N 1 2 416.544 -0.904 20 0 HBADLO CC(C)[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCCS1(=O)=O ZINC000533405725 1069283284 /nfs/dbraw/zinc/28/32/84/1069283284.db2.gz UKDRMXNJRYXZBO-WBVHZDCISA-N 1 2 416.544 -0.904 20 0 HBADLO COCC[N@@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000533412544 1069283741 /nfs/dbraw/zinc/28/37/41/1069283741.db2.gz LHAFKNOWGCGNMS-UHFFFAOYSA-N 1 2 401.485 -0.413 20 0 HBADLO COCC[N@H+](CCO)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000533412544 1069283737 /nfs/dbraw/zinc/28/37/37/1069283737.db2.gz LHAFKNOWGCGNMS-UHFFFAOYSA-N 1 2 401.485 -0.413 20 0 HBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000533418948 1069284483 /nfs/dbraw/zinc/28/44/83/1069284483.db2.gz TWFPCBUQBFVREY-HNNXBMFYSA-N 1 2 411.528 -0.103 20 0 HBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC000533418948 1069284467 /nfs/dbraw/zinc/28/44/67/1069284467.db2.gz TWFPCBUQBFVREY-HNNXBMFYSA-N 1 2 411.528 -0.103 20 0 HBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000533418949 1069284270 /nfs/dbraw/zinc/28/42/70/1069284270.db2.gz TWFPCBUQBFVREY-OAHLLOKOSA-N 1 2 411.528 -0.103 20 0 HBADLO Cc1ccc(NC(=O)CN(C)C(=O)C[N@@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cc1 ZINC000533418949 1069284267 /nfs/dbraw/zinc/28/42/67/1069284267.db2.gz TWFPCBUQBFVREY-OAHLLOKOSA-N 1 2 411.528 -0.103 20 0 HBADLO O=C(C[NH+](CCO)CCO)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000533424071 1069285270 /nfs/dbraw/zinc/28/52/70/1069285270.db2.gz SCXFDJCVBMBBCN-UHFFFAOYSA-N 1 2 421.903 -0.414 20 0 HBADLO Cn1c2ncn(CC[N@@H+](C)Cc3ccc(S(C)(=O)=O)cc3)c2c(=O)n(C)c1=O ZINC000533429834 1069285422 /nfs/dbraw/zinc/28/54/22/1069285422.db2.gz UGLBKLQJXUNUGO-UHFFFAOYSA-N 1 2 405.480 -0.031 20 0 HBADLO Cn1c2ncn(CC[N@H+](C)Cc3ccc(S(C)(=O)=O)cc3)c2c(=O)n(C)c1=O ZINC000533429834 1069285415 /nfs/dbraw/zinc/28/54/15/1069285415.db2.gz UGLBKLQJXUNUGO-UHFFFAOYSA-N 1 2 405.480 -0.031 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)CCN2CCCC2=O)CC1 ZINC000533432635 1069285833 /nfs/dbraw/zinc/28/58/33/1069285833.db2.gz SMHURBFNOHUNJC-UHFFFAOYSA-N 1 2 400.487 -0.434 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+](C)CCN2CCCC2=O)CC1 ZINC000533432635 1069285827 /nfs/dbraw/zinc/28/58/27/1069285827.db2.gz 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CN(C)c1ncc(CNC(=O)CSCC(=O)NCc2c[nH+]c(N(C)C)n2C)n1C ZINC000534524807 1071217989 /nfs/dbraw/zinc/21/79/89/1071217989.db2.gz BDJJCXHPVOJYDX-UHFFFAOYSA-N 1 2 422.559 -0.049 20 0 HBADLO O=C(CN1CCN(c2ccccn2)CC1)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000534526711 1071217953 /nfs/dbraw/zinc/21/79/53/1071217953.db2.gz DWQNHDSOGMWRNH-UHFFFAOYSA-N 1 2 410.526 -0.068 20 0 HBADLO O=C(Cn1cc(NC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cn1)NC1CC1 ZINC000534528589 1071218136 /nfs/dbraw/zinc/21/81/36/1071218136.db2.gz PUDOWHAMWPLUMB-UHFFFAOYSA-N 1 2 413.486 -0.105 20 0 HBADLO Cn1cc([C@@H](CO)NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cn1 ZINC000534540036 1071217315 /nfs/dbraw/zinc/21/73/15/1071217315.db2.gz KUNZEZYXYFKLFW-GOSISDBHSA-N 1 2 400.483 -0.044 20 0 HBADLO Cn1cc([C@H](CO)NC(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cn1 ZINC000534540039 1071217535 /nfs/dbraw/zinc/21/75/35/1071217535.db2.gz KUNZEZYXYFKLFW-SFHVURJKSA-N 1 2 400.483 -0.044 20 0 HBADLO COC(=O)c1cccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000534632789 1071222543 /nfs/dbraw/zinc/22/25/43/1071222543.db2.gz SYNVSTZEVNWFQP-UHFFFAOYSA-N 1 2 424.523 -0.348 20 0 HBADLO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CC(C)(CO)CO ZINC000534671829 1071223088 /nfs/dbraw/zinc/22/30/88/1071223088.db2.gz CNONXEHPGRMBJO-UHFFFAOYSA-N 1 2 415.512 -0.431 20 0 HBADLO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)CC(C)(CO)CO ZINC000534671829 1071223084 /nfs/dbraw/zinc/22/30/84/1071223084.db2.gz CNONXEHPGRMBJO-UHFFFAOYSA-N 1 2 415.512 -0.431 20 0 HBADLO CNC(=O)c1cccc(OCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000534695019 1071223335 /nfs/dbraw/zinc/22/33/35/1071223335.db2.gz GYJHMOMTOVNYMO-INIZCTEOSA-N 1 2 404.467 -0.526 20 0 HBADLO CNC(=O)c1cccc(OCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000534695027 1071223229 /nfs/dbraw/zinc/22/32/29/1071223229.db2.gz GYJHMOMTOVNYMO-MRXNPFEDSA-N 1 2 404.467 -0.526 20 0 HBADLO CC[C@H](CO)N1CCN(C(=O)C2(C(=O)N3CC[NH+]([C@@H](CC)CO)CC3)CCC2)CC1 ZINC000534713759 1071227022 /nfs/dbraw/zinc/22/70/22/1071227022.db2.gz FNGRDEDHNRTMDE-KDURUIRLSA-N 1 2 424.586 -0.013 20 0 HBADLO CC[C@H](CO)[NH+]1CCN(C(=O)C2(C(=O)N3CCN([C@@H](CC)CO)CC3)CCC2)CC1 ZINC000534713759 1071227011 /nfs/dbraw/zinc/22/70/11/1071227011.db2.gz FNGRDEDHNRTMDE-KDURUIRLSA-N 1 2 424.586 -0.013 20 0 HBADLO CCOC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000534754199 1071228119 /nfs/dbraw/zinc/22/81/19/1071228119.db2.gz AQOLWLRXVJEMEA-AEFFLSMTSA-N 1 2 411.499 -0.358 20 0 HBADLO CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000534754200 1071228056 /nfs/dbraw/zinc/22/80/56/1071228056.db2.gz AQOLWLRXVJEMEA-FUHWJXTLSA-N 1 2 411.499 -0.358 20 0 HBADLO CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000534754201 1071227826 /nfs/dbraw/zinc/22/78/26/1071227826.db2.gz AQOLWLRXVJEMEA-SJLPKXTDSA-N 1 2 411.499 -0.358 20 0 HBADLO CCOC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCOCC1 ZINC000534754202 1071227949 /nfs/dbraw/zinc/22/79/49/1071227949.db2.gz AQOLWLRXVJEMEA-WMZOPIPTSA-N 1 2 411.499 -0.358 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)[NH+]1CCN(C)CC1 ZINC000534832786 1071230550 /nfs/dbraw/zinc/23/05/50/1071230550.db2.gz TXQSLVHYJRMTFU-INIZCTEOSA-N 1 2 415.498 -0.012 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1)[NH+]1CCN(C)CC1 ZINC000534832791 1071230649 /nfs/dbraw/zinc/23/06/49/1071230649.db2.gz TXQSLVHYJRMTFU-MRXNPFEDSA-N 1 2 415.498 -0.012 20 0 HBADLO CCOC(=O)CC[C@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000534833758 1071230925 /nfs/dbraw/zinc/23/09/25/1071230925.db2.gz GOIKHXMPPYODOL-HNNXBMFYSA-N 1 2 419.548 -0.462 20 0 HBADLO CCOC(=O)CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000534833764 1071230760 /nfs/dbraw/zinc/23/07/60/1071230760.db2.gz GOIKHXMPPYODOL-OAHLLOKOSA-N 1 2 419.548 -0.462 20 0 HBADLO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1S(=O)(=O)N(C)C ZINC000534834159 1071230700 /nfs/dbraw/zinc/23/07/00/1071230700.db2.gz PCPAFSCZOSXMFJ-UHFFFAOYSA-N 1 2 423.495 -0.142 20 0 HBADLO C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccc(F)cc1 ZINC000534836266 1071231608 /nfs/dbraw/zinc/23/16/08/1071231608.db2.gz LFWKKJAYMHJUGT-GFCCVEGCSA-N 1 2 405.430 -0.207 20 0 HBADLO C[C@H](NC(=O)CNC(=O)C[NH+]1CCC2(CC1)NC(=O)NC2=O)c1ccc(F)cc1 ZINC000534836289 1071231383 /nfs/dbraw/zinc/23/13/83/1071231383.db2.gz LFWKKJAYMHJUGT-LBPRGKRZSA-N 1 2 405.430 -0.207 20 0 HBADLO NS(=O)(=O)[C@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000534852756 1071233088 /nfs/dbraw/zinc/23/30/88/1071233088.db2.gz NDNDLMOUNNSHIX-HNNXBMFYSA-N 1 2 409.512 -0.210 20 0 HBADLO NS(=O)(=O)[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000534852757 1071232842 /nfs/dbraw/zinc/23/28/42/1071232842.db2.gz NDNDLMOUNNSHIX-OAHLLOKOSA-N 1 2 409.512 -0.210 20 0 HBADLO COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000534900783 1071236173 /nfs/dbraw/zinc/23/61/73/1071236173.db2.gz QDZRHGBNUPRGTG-UHFFFAOYSA-N 1 2 412.512 -0.046 20 0 HBADLO O=C1NC(=O)N2CC[N@@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]12 ZINC000534954883 1071238251 /nfs/dbraw/zinc/23/82/51/1071238251.db2.gz VZRFOSPXDMTYAA-INIZCTEOSA-N 1 2 424.479 -0.678 20 0 HBADLO O=C1NC(=O)N2CC[N@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@@H]12 ZINC000534954883 1071238237 /nfs/dbraw/zinc/23/82/37/1071238237.db2.gz VZRFOSPXDMTYAA-INIZCTEOSA-N 1 2 424.479 -0.678 20 0 HBADLO O=C1NC(=O)N2CC[N@@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]12 ZINC000534954884 1071238330 /nfs/dbraw/zinc/23/83/30/1071238330.db2.gz VZRFOSPXDMTYAA-MRXNPFEDSA-N 1 2 424.479 -0.678 20 0 HBADLO O=C1NC(=O)N2CC[N@H+](CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C[C@H]12 ZINC000534954884 1071238315 /nfs/dbraw/zinc/23/83/15/1071238315.db2.gz VZRFOSPXDMTYAA-MRXNPFEDSA-N 1 2 424.479 -0.678 20 0 HBADLO COC(=O)c1cncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000535048242 1071241764 /nfs/dbraw/zinc/24/17/64/1071241764.db2.gz OADBISSIXWSJOW-UHFFFAOYSA-N 1 2 411.484 -0.882 20 0 HBADLO COC(=O)[C@@](C)(NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000535051391 1071241573 /nfs/dbraw/zinc/24/15/73/1071241573.db2.gz PWWHVIGIHIZWAB-IBGZPJMESA-N 1 2 401.471 -0.057 20 0 HBADLO COC(=O)[C@](C)(NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C1CC1 ZINC000535051408 1071241829 /nfs/dbraw/zinc/24/18/29/1071241829.db2.gz PWWHVIGIHIZWAB-LJQANCHMSA-N 1 2 401.471 -0.057 20 0 HBADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)co1 ZINC000535129833 1071242641 /nfs/dbraw/zinc/24/26/41/1071242641.db2.gz OWLYKBNIKBFMRB-AWEZNQCLSA-N 1 2 414.484 -0.807 20 0 HBADLO CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)co1 ZINC000535129840 1071242503 /nfs/dbraw/zinc/24/25/03/1071242503.db2.gz OWLYKBNIKBFMRB-CQSZACIVSA-N 1 2 414.484 -0.807 20 0 HBADLO O=C(CN1C(=O)N[C@]2(CCOC2)C1=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000535164385 1071243451 /nfs/dbraw/zinc/24/34/51/1071243451.db2.gz BKOOQHMWEJAGPI-NRFANRHFSA-N 1 2 414.462 -0.023 20 0 HBADLO O=C(CN1C(=O)N[C@@]2(CCOC2)C1=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000535164438 1071243372 /nfs/dbraw/zinc/24/33/72/1071243372.db2.gz BKOOQHMWEJAGPI-OAQYLSRUSA-N 1 2 414.462 -0.023 20 0 HBADLO NS(=O)(=O)c1ccc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000535260801 1071246825 /nfs/dbraw/zinc/24/68/25/1071246825.db2.gz LKGHONIPQUJBKV-UHFFFAOYSA-N 1 2 404.496 -0.395 20 0 HBADLO Cn1ccnc1CN1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000535260805 1070419305 /nfs/dbraw/zinc/41/93/05/1070419305.db2.gz HBKPMEZWGKKERO-UHFFFAOYSA-N 1 2 413.530 -0.141 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCO[C@H](Cn2cncn2)C1 ZINC000535261333 1071246876 /nfs/dbraw/zinc/24/68/76/1071246876.db2.gz JXVHWKKHPAHATI-INIZCTEOSA-N 1 2 401.475 -0.699 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000535261348 1071246730 /nfs/dbraw/zinc/24/67/30/1071246730.db2.gz JXVHWKKHPAHATI-MRXNPFEDSA-N 1 2 401.475 -0.699 20 0 HBADLO Cn1cc(N2CC[C@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)cn1 ZINC000535262199 1071246586 /nfs/dbraw/zinc/24/65/86/1071246586.db2.gz OGLXRFANWPBCJB-INIZCTEOSA-N 1 2 413.486 -0.563 20 0 HBADLO Cn1cc(N2CC[C@@H](NC(=O)NCC[NH+]3CCN(c4ncccn4)CC3)C2=O)cn1 ZINC000535262208 1071246769 /nfs/dbraw/zinc/24/67/69/1071246769.db2.gz OGLXRFANWPBCJB-MRXNPFEDSA-N 1 2 413.486 -0.563 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cncc(N2CCOCC2)c1 ZINC000535295901 1071248938 /nfs/dbraw/zinc/24/89/38/1071248938.db2.gz YFZAEDSFTGHSGJ-KRWDZBQOSA-N 1 2 403.483 -0.419 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cncc(N2CCOCC2)c1 ZINC000535295919 1071249149 /nfs/dbraw/zinc/24/91/49/1071249149.db2.gz YFZAEDSFTGHSGJ-QGZVFWFLSA-N 1 2 403.483 -0.419 20 0 HBADLO COCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000535360156 1071251281 /nfs/dbraw/zinc/25/12/81/1071251281.db2.gz SZKROYRRULQFMN-UHFFFAOYSA-N 1 2 417.557 -0.152 20 0 HBADLO CCn1c(=O)c(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(N)n(Cc2ccccc2)c1=O ZINC000535378053 1071252717 /nfs/dbraw/zinc/25/27/17/1071252717.db2.gz OBCNRLRWZMXVAC-UHFFFAOYSA-N 1 2 418.494 -0.234 20 0 HBADLO CCn1c(=O)c(C(=O)C[N@H+](C)CC(C)(CO)CO)c(N)n(Cc2ccccc2)c1=O ZINC000535378053 1071252712 /nfs/dbraw/zinc/25/27/12/1071252712.db2.gz OBCNRLRWZMXVAC-UHFFFAOYSA-N 1 2 418.494 -0.234 20 0 HBADLO Cn1c(=O)c2cc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000535490968 1071257081 /nfs/dbraw/zinc/25/70/81/1071257081.db2.gz MNAPTLSVNCBANM-AWEZNQCLSA-N 1 2 402.455 -0.039 20 0 HBADLO Cn1c(=O)c2cc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000535490970 1071256994 /nfs/dbraw/zinc/25/69/94/1071256994.db2.gz MNAPTLSVNCBANM-CQSZACIVSA-N 1 2 402.455 -0.039 20 0 HBADLO COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)OC)c1 ZINC000535541005 1071258457 /nfs/dbraw/zinc/25/84/57/1071258457.db2.gz AMKPIZGPFQUAAK-HNNXBMFYSA-N 1 2 410.452 -0.152 20 0 HBADLO COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)OC)c1 ZINC000535541005 1071258453 /nfs/dbraw/zinc/25/84/53/1071258453.db2.gz AMKPIZGPFQUAAK-HNNXBMFYSA-N 1 2 410.452 -0.152 20 0 HBADLO CC[NH+]1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000535548114 1071259097 /nfs/dbraw/zinc/25/90/97/1071259097.db2.gz JNOPQTKPQCHBAX-GFCCVEGCSA-N 1 2 401.471 -0.258 20 0 HBADLO CC[NH+]1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)CC1 ZINC000535548118 1071259236 /nfs/dbraw/zinc/25/92/36/1071259236.db2.gz JNOPQTKPQCHBAX-LBPRGKRZSA-N 1 2 401.471 -0.258 20 0 HBADLO COC(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc(C(=O)OC)c1 ZINC000535549029 1071259133 /nfs/dbraw/zinc/25/91/33/1071259133.db2.gz RKPCKJQMROAQIM-UHFFFAOYSA-N 1 2 418.406 -0.128 20 0 HBADLO CCCCS(=O)(=O)NCC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000535564768 1071262092 /nfs/dbraw/zinc/26/20/92/1071262092.db2.gz KDQGKYZMAIVEHR-UHFFFAOYSA-N 1 2 411.528 -0.044 20 0 HBADLO CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)c1 ZINC000535567030 1071261508 /nfs/dbraw/zinc/26/15/08/1071261508.db2.gz OCMSMECJXUMVSG-UHFFFAOYSA-N 1 2 423.495 -0.108 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)ccc1C ZINC000535567459 1071260657 /nfs/dbraw/zinc/26/06/57/1071260657.db2.gz RIUJEWNZOQAGAS-UHFFFAOYSA-N 1 2 423.495 -0.142 20 0 HBADLO O=C(CN1CCN(C(=O)C[NH+]2CCC(O)(C(F)(F)F)CC2)CC1)N1CCOCC1 ZINC000535578712 1069740911 /nfs/dbraw/zinc/74/09/11/1069740911.db2.gz GSXQCYJKNKLMLL-UHFFFAOYSA-N 1 2 422.448 -0.621 20 0 HBADLO C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000535589560 1071263443 /nfs/dbraw/zinc/26/34/43/1071263443.db2.gz LOOFSAFVXXHIHP-LLVKDONJSA-N 1 2 404.514 -0.339 20 0 HBADLO C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000535589563 1071263487 /nfs/dbraw/zinc/26/34/87/1071263487.db2.gz LOOFSAFVXXHIHP-NSHDSACASA-N 1 2 404.514 -0.339 20 0 HBADLO CCS(=O)(=O)N1CCN(CCCC[NH+]2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000535722954 1068594281 /nfs/dbraw/zinc/59/42/81/1068594281.db2.gz REKJLHCQQNYFIW-UHFFFAOYSA-N 1 2 410.606 -0.299 20 0 HBADLO COC(=O)C1(O)CC[NH+]([C@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000535792814 1068596298 /nfs/dbraw/zinc/59/62/98/1068596298.db2.gz SNYPZPNDJKJGRT-CYBMUJFWSA-N 1 2 413.496 -0.619 20 0 HBADLO COC(=O)C1(O)CC[NH+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000535792815 1068596451 /nfs/dbraw/zinc/59/64/51/1068596451.db2.gz SNYPZPNDJKJGRT-ZDUSSCGKSA-N 1 2 413.496 -0.619 20 0 HBADLO CN(C)c1cccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)n1 ZINC000535841363 1068602377 /nfs/dbraw/zinc/60/23/77/1068602377.db2.gz OSBAFGZXWKPEFK-UHFFFAOYSA-N 1 2 401.471 -0.069 20 0 HBADLO CN(C)c1cccc(CNC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n1 ZINC000535845046 1069549240 /nfs/dbraw/zinc/54/92/40/1069549240.db2.gz KECHPPINKQQNKC-UHFFFAOYSA-N 1 2 401.471 -0.069 20 0 HBADLO Cn1c(=O)c(C(=O)C[NH+]2CCC(OCCO)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000536004598 1068781347 /nfs/dbraw/zinc/78/13/47/1068781347.db2.gz XTEHTJBXTMDNIR-UHFFFAOYSA-N 1 2 416.478 -0.167 20 0 HBADLO Cn1cnc2c1c(=O)n(CC(=O)N1CC[NH+](Cc3ccsc3)CC1)c(=O)n2C ZINC000536012201 1068783923 /nfs/dbraw/zinc/78/39/23/1068783923.db2.gz 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AGZFQSVXIFKJAW-MRXNPFEDSA-N 1 2 401.467 -0.377 20 0 HBADLO Cn1c(C(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000539797860 1071305992 /nfs/dbraw/zinc/30/59/92/1071305992.db2.gz GHIOOFHSRHBEJO-AWEZNQCLSA-N 1 2 419.482 -0.861 20 0 HBADLO Cn1c(C(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000539797861 1071305769 /nfs/dbraw/zinc/30/57/69/1071305769.db2.gz GHIOOFHSRHBEJO-CQSZACIVSA-N 1 2 419.482 -0.861 20 0 HBADLO NS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)co1 ZINC000539939168 1071316508 /nfs/dbraw/zinc/31/65/08/1071316508.db2.gz FZAHNVOUQNGSCF-UHFFFAOYSA-N 1 2 422.467 -0.484 20 0 HBADLO NS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)co1 ZINC000539939168 1071316496 /nfs/dbraw/zinc/31/64/96/1071316496.db2.gz FZAHNVOUQNGSCF-UHFFFAOYSA-N 1 2 422.467 -0.484 20 0 HBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000539952761 1071316607 /nfs/dbraw/zinc/31/66/07/1071316607.db2.gz ANHVTTRCTLZWCF-GDBMZVCRSA-N 1 2 406.574 -0.083 20 0 HBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000539952762 1071316449 /nfs/dbraw/zinc/31/64/49/1071316449.db2.gz ANHVTTRCTLZWCF-GOEBONIOSA-N 1 2 406.574 -0.083 20 0 HBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000539952763 1071316348 /nfs/dbraw/zinc/31/63/48/1071316348.db2.gz ANHVTTRCTLZWCF-HOCLYGCPSA-N 1 2 406.574 -0.083 20 0 HBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000539952764 1071316299 /nfs/dbraw/zinc/31/62/99/1071316299.db2.gz ANHVTTRCTLZWCF-ZBFHGGJFSA-N 1 2 406.574 -0.083 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000539962938 1071316317 /nfs/dbraw/zinc/31/63/17/1071316317.db2.gz JLRKGSQOZYWFCG-CYBMUJFWSA-N 1 2 408.480 -0.353 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1nccc2c1cccc2S(N)(=O)=O ZINC000539962939 1071316571 /nfs/dbraw/zinc/31/65/71/1071316571.db2.gz JLRKGSQOZYWFCG-ZDUSSCGKSA-N 1 2 408.480 -0.353 20 0 HBADLO Cn1c(N)c(C(=O)C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(=O)n(C)c1=O ZINC000540007758 1071319344 /nfs/dbraw/zinc/31/93/44/1071319344.db2.gz YSINKRLPCPRRQY-AWEZNQCLSA-N 1 2 417.510 -0.037 20 0 HBADLO Cn1c(N)c(C(=O)C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(=O)n(C)c1=O ZINC000540007760 1071319376 /nfs/dbraw/zinc/31/93/76/1071319376.db2.gz YSINKRLPCPRRQY-CQSZACIVSA-N 1 2 417.510 -0.037 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)[NH+]1CCOCC1 ZINC000540034465 1071321860 /nfs/dbraw/zinc/32/18/60/1071321860.db2.gz YANIHSZHIIMYPO-KRWDZBQOSA-N 1 2 416.482 -0.018 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1)[NH+]1CCOCC1 ZINC000540034467 1071321457 /nfs/dbraw/zinc/32/14/57/1071321457.db2.gz YANIHSZHIIMYPO-QGZVFWFLSA-N 1 2 416.482 -0.018 20 0 HBADLO CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000540043534 1071322701 /nfs/dbraw/zinc/32/27/01/1071322701.db2.gz BPMJTQMVCYFFFI-HNNXBMFYSA-N 1 2 400.505 -0.239 20 0 HBADLO CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000540043535 1071322934 /nfs/dbraw/zinc/32/29/34/1071322934.db2.gz BPMJTQMVCYFFFI-OAHLLOKOSA-N 1 2 400.505 -0.239 20 0 HBADLO C[NH+]1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000540051565 1071323624 /nfs/dbraw/zinc/32/36/24/1071323624.db2.gz MTRRCOUAGHEKIR-UHFFFAOYSA-N 1 2 400.526 -0.031 20 0 HBADLO NS(=O)(=O)[C@@H]1CCN(Cc2cccc(C[N@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323561 /nfs/dbraw/zinc/32/35/61/1071323561.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CCN(Cc2cccc(C[N@@H+]3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323549 /nfs/dbraw/zinc/32/35/49/1071323549.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cccc(CN3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323537 /nfs/dbraw/zinc/32/35/37/1071323537.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cccc(CN3CC[C@H](S(N)(=O)=O)C3)c2)C1 ZINC000540060872 1071323520 /nfs/dbraw/zinc/32/35/20/1071323520.db2.gz IPKRCJFCTZJUEY-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2CN2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324879 /nfs/dbraw/zinc/32/48/79/1071324879.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2CN2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324872 /nfs/dbraw/zinc/32/48/72/1071324872.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CCN(Cc2ccccc2C[N@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324865 /nfs/dbraw/zinc/32/48/65/1071324865.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO NS(=O)(=O)[C@@H]1CCN(Cc2ccccc2C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000540063669 1071324857 /nfs/dbraw/zinc/32/48/57/1071324857.db2.gz YBDSROALSFSCNE-IYBDPMFKSA-N 1 2 402.542 -0.588 20 0 HBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000540067005 1071322779 /nfs/dbraw/zinc/32/27/79/1071322779.db2.gz RLKZPIIRMUYQFG-CYBMUJFWSA-N 1 2 403.487 -0.911 20 0 HBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)CC1 ZINC000540067010 1071323108 /nfs/dbraw/zinc/32/31/08/1071323108.db2.gz RLKZPIIRMUYQFG-ZDUSSCGKSA-N 1 2 403.487 -0.911 20 0 HBADLO Cc1cn2c(ncc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2=O)s1 ZINC000540099961 1071326388 /nfs/dbraw/zinc/32/63/88/1071326388.db2.gz FNXSNTYHKUXKHD-CYBMUJFWSA-N 1 2 405.480 -0.273 20 0 HBADLO Cc1cn2c(ncc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2=O)s1 ZINC000540099962 1071326294 /nfs/dbraw/zinc/32/62/94/1071326294.db2.gz FNXSNTYHKUXKHD-ZDUSSCGKSA-N 1 2 405.480 -0.273 20 0 HBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000540205183 1071331372 /nfs/dbraw/zinc/33/13/72/1071331372.db2.gz FETFGQNNDFDVJX-CYBMUJFWSA-N 1 2 424.614 -0.246 20 0 HBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)s1 ZINC000540205183 1071331366 /nfs/dbraw/zinc/33/13/66/1071331366.db2.gz FETFGQNNDFDVJX-CYBMUJFWSA-N 1 2 424.614 -0.246 20 0 HBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)s1 ZINC000540205184 1071331400 /nfs/dbraw/zinc/33/14/00/1071331400.db2.gz FETFGQNNDFDVJX-ZDUSSCGKSA-N 1 2 424.614 -0.246 20 0 HBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)s1 ZINC000540205184 1071331390 /nfs/dbraw/zinc/33/13/90/1071331390.db2.gz FETFGQNNDFDVJX-ZDUSSCGKSA-N 1 2 424.614 -0.246 20 0 HBADLO COCCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540272095 1071338176 /nfs/dbraw/zinc/33/81/76/1071338176.db2.gz UILCUBIVQWSFMP-CVEARBPZSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540272095 1071338162 /nfs/dbraw/zinc/33/81/62/1071338162.db2.gz UILCUBIVQWSFMP-CVEARBPZSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540272096 1071338041 /nfs/dbraw/zinc/33/80/41/1071338041.db2.gz UILCUBIVQWSFMP-HOTGVXAUSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540272096 1071338030 /nfs/dbraw/zinc/33/80/30/1071338030.db2.gz UILCUBIVQWSFMP-HOTGVXAUSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540272097 1071338205 /nfs/dbraw/zinc/33/82/05/1071338205.db2.gz UILCUBIVQWSFMP-HZPDHXFCSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000540272097 1071338200 /nfs/dbraw/zinc/33/82/00/1071338200.db2.gz UILCUBIVQWSFMP-HZPDHXFCSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540272098 1071338071 /nfs/dbraw/zinc/33/80/71/1071338071.db2.gz UILCUBIVQWSFMP-JKSUJKDBSA-N 1 2 418.560 -0.226 20 0 HBADLO COCCN(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000540272098 1071338060 /nfs/dbraw/zinc/33/80/60/1071338060.db2.gz UILCUBIVQWSFMP-JKSUJKDBSA-N 1 2 418.560 -0.226 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1C ZINC000540278963 1071336438 /nfs/dbraw/zinc/33/64/38/1071336438.db2.gz DNICBGYKWDLGOK-UHFFFAOYSA-N 1 2 419.482 -0.093 20 0 HBADLO COC(=O)c1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1C ZINC000540278963 1071336421 /nfs/dbraw/zinc/33/64/21/1071336421.db2.gz DNICBGYKWDLGOK-UHFFFAOYSA-N 1 2 419.482 -0.093 20 0 HBADLO O=C(NCCNC(=O)c1cccs1)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000540313750 1071343872 /nfs/dbraw/zinc/34/38/72/1071343872.db2.gz XBNWQPOOYXXRCB-UHFFFAOYSA-N 1 2 420.495 -0.239 20 0 HBADLO COc1ncnc(N(C)C)c1NC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000540373491 1071347828 /nfs/dbraw/zinc/34/78/28/1071347828.db2.gz QWQHWJFRHKJARA-UHFFFAOYSA-N 1 2 418.458 -0.343 20 0 HBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CCNC(N)=O)cc2)CC1 ZINC000540473578 1071357403 /nfs/dbraw/zinc/35/74/03/1071357403.db2.gz HAHSUNRCCLHVIB-UHFFFAOYSA-N 1 2 405.499 -0.053 20 0 HBADLO CN(CCCNC(=O)C[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1)S(C)(=O)=O ZINC000540474799 1071357837 /nfs/dbraw/zinc/35/78/37/1071357837.db2.gz DGONOCKDUVXFRD-HNNXBMFYSA-N 1 2 405.542 -0.240 20 0 HBADLO CN(CCCNC(=O)C[NH2+][C@H](CS(C)(=O)=O)c1ccccc1)S(C)(=O)=O ZINC000540474800 1071357956 /nfs/dbraw/zinc/35/79/56/1071357956.db2.gz DGONOCKDUVXFRD-OAHLLOKOSA-N 1 2 405.542 -0.240 20 0 HBADLO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1C(=O)NCC(F)(F)F ZINC000540482281 1071358554 /nfs/dbraw/zinc/35/85/54/1071358554.db2.gz FXYKGNFCCSKOSR-LLVKDONJSA-N 1 2 411.450 -0.159 20 0 HBADLO Cn1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1C(=O)NCC(F)(F)F ZINC000540482281 1071358539 /nfs/dbraw/zinc/35/85/39/1071358539.db2.gz FXYKGNFCCSKOSR-LLVKDONJSA-N 1 2 411.450 -0.159 20 0 HBADLO Cn1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1C(=O)NCC(F)(F)F ZINC000540482282 1071358358 /nfs/dbraw/zinc/35/83/58/1071358358.db2.gz FXYKGNFCCSKOSR-NSHDSACASA-N 1 2 411.450 -0.159 20 0 HBADLO Cn1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1C(=O)NCC(F)(F)F ZINC000540482282 1071358348 /nfs/dbraw/zinc/35/83/48/1071358348.db2.gz FXYKGNFCCSKOSR-NSHDSACASA-N 1 2 411.450 -0.159 20 0 HBADLO CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1(C)C ZINC000540502864 1071363094 /nfs/dbraw/zinc/36/30/94/1071363094.db2.gz VHQVHEDQOJIMNH-ARFHVFGLSA-N 1 2 417.576 -0.135 20 0 HBADLO CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1(C)C ZINC000540502874 1071363137 /nfs/dbraw/zinc/36/31/37/1071363137.db2.gz VHQVHEDQOJIMNH-BZUAXINKSA-N 1 2 417.576 -0.135 20 0 HBADLO CO[C@@H]1[C@@H](C)[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1(C)C ZINC000540502876 1071363168 /nfs/dbraw/zinc/36/31/68/1071363168.db2.gz VHQVHEDQOJIMNH-HRCADAONSA-N 1 2 417.576 -0.135 20 0 HBADLO CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1(C)C ZINC000540502878 1071363286 /nfs/dbraw/zinc/36/32/86/1071363286.db2.gz VHQVHEDQOJIMNH-OWCLPIDISA-N 1 2 417.576 -0.135 20 0 HBADLO CC(C)OC(=O)CCNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540532247 1071365056 /nfs/dbraw/zinc/36/50/56/1071365056.db2.gz LBVMIFOGVCORGA-UHFFFAOYSA-N 1 2 405.455 -0.134 20 0 HBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCCn3cc[nH+]c3)CC2)cc1 ZINC000540547713 1071367334 /nfs/dbraw/zinc/36/73/34/1071367334.db2.gz MQGGBDMAWOIBJI-UHFFFAOYSA-N 1 2 413.525 -0.073 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)ccn2)CC1 ZINC000540576380 1071369740 /nfs/dbraw/zinc/36/97/40/1071369740.db2.gz CPGBYMASBTXJDL-UHFFFAOYSA-N 1 2 405.455 -0.134 20 0 HBADLO COC(=O)C(C)(C)CNC(=O)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000540577484 1071370342 /nfs/dbraw/zinc/37/03/42/1071370342.db2.gz NFXYIUQNGPAHII-UHFFFAOYSA-N 1 2 405.455 -0.277 20 0 HBADLO COC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540580728 1071370332 /nfs/dbraw/zinc/37/03/32/1071370332.db2.gz XHYCEWRWIAPHBR-FQEVSTJZSA-N 1 2 417.466 -0.181 20 0 HBADLO COC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000540580732 1071370395 /nfs/dbraw/zinc/37/03/95/1071370395.db2.gz XHYCEWRWIAPHBR-HXUWFJFHSA-N 1 2 417.466 -0.181 20 0 HBADLO NS(=O)(=O)c1cnn(CC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000540613911 1071373261 /nfs/dbraw/zinc/37/32/61/1071373261.db2.gz REDZPXGHIBKNFO-UHFFFAOYSA-N 1 2 423.495 -0.442 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540621997 1071372980 /nfs/dbraw/zinc/37/29/80/1071372980.db2.gz MWEYRMDDBMTBPC-HNNXBMFYSA-N 1 2 410.452 -0.463 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000540621997 1071372967 /nfs/dbraw/zinc/37/29/67/1071372967.db2.gz MWEYRMDDBMTBPC-HNNXBMFYSA-N 1 2 410.452 -0.463 20 0 HBADLO NS(=O)(=O)c1cnn(CC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000540629142 1071375453 /nfs/dbraw/zinc/37/54/53/1071375453.db2.gz ZRSCQQAGJYVDCR-INIZCTEOSA-N 1 2 407.496 -0.410 20 0 HBADLO NS(=O)(=O)c1cnn(CC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)c1 ZINC000540629152 1071375563 /nfs/dbraw/zinc/37/55/63/1071375563.db2.gz ZRSCQQAGJYVDCR-MRXNPFEDSA-N 1 2 407.496 -0.410 20 0 HBADLO C[C@H]1CN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCN1S(C)(=O)=O ZINC000540633804 1071376434 /nfs/dbraw/zinc/37/64/34/1071376434.db2.gz COTHSPBQDOPUGF-AWEZNQCLSA-N 1 2 400.505 -0.287 20 0 HBADLO Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000540651438 1071378314 /nfs/dbraw/zinc/37/83/14/1071378314.db2.gz AWXAGZARNCELPN-UHFFFAOYSA-N 1 2 406.530 -0.305 20 0 HBADLO O=C(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCOCC1 ZINC000540665423 1071378979 /nfs/dbraw/zinc/37/89/79/1071378979.db2.gz LDSZLVGTLKSKEV-UHFFFAOYSA-N 1 2 419.486 -0.996 20 0 HBADLO O=C(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCOCC1 ZINC000540665423 1071378971 /nfs/dbraw/zinc/37/89/71/1071378971.db2.gz LDSZLVGTLKSKEV-UHFFFAOYSA-N 1 2 419.486 -0.996 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)C(N)=O)cc2)CC1 ZINC000540694149 1071382081 /nfs/dbraw/zinc/38/20/81/1071382081.db2.gz JCLQEOQHRFEHPZ-UHFFFAOYSA-N 1 2 403.483 -0.083 20 0 HBADLO CCCNC(=O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540694241 1071382228 /nfs/dbraw/zinc/38/22/28/1071382228.db2.gz UOKPWUMEVIJJDZ-UHFFFAOYSA-N 1 2 403.483 -0.068 20 0 HBADLO COC[C@@H](CCO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540739259 1071384242 /nfs/dbraw/zinc/38/42/42/1071384242.db2.gz AHTUSULWTPPHEO-GOSISDBHSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540739260 1071384843 /nfs/dbraw/zinc/38/48/43/1071384843.db2.gz AHTUSULWTPPHEO-SFHVURJKSA-N 1 2 406.483 -0.197 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](CO)OC[C@H]3C)cc2)CC1 ZINC000540740496 1071385018 /nfs/dbraw/zinc/38/50/18/1071385018.db2.gz XRQXHOLXLVLRQP-BEFAXECRSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](CO)OC[C@H]3C)cc2)CC1 ZINC000540740497 1071384743 /nfs/dbraw/zinc/38/47/43/1071384743.db2.gz XRQXHOLXLVLRQP-DNVCBOLYSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@H](CO)OC[C@@H]3C)cc2)CC1 ZINC000540740498 1071385113 /nfs/dbraw/zinc/38/51/13/1071385113.db2.gz XRQXHOLXLVLRQP-HNAYVOBHSA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3C[C@@H](CO)OC[C@@H]3C)cc2)CC1 ZINC000540740499 1071384824 /nfs/dbraw/zinc/38/48/24/1071384824.db2.gz XRQXHOLXLVLRQP-KXBFYZLASA-N 1 2 418.494 -0.103 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C)C(=O)C3)cc2)CC1 ZINC000540740606 1071384923 /nfs/dbraw/zinc/38/49/23/1071384923.db2.gz CILYQEFXENCYOS-UHFFFAOYSA-N 1 2 401.467 -0.410 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)cc2)CC1 ZINC000540740936 1071385486 /nfs/dbraw/zinc/38/54/86/1071385486.db2.gz FJMNFSVSBIFFNK-KRWDZBQOSA-N 1 2 416.482 -0.442 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)cc2)CC1 ZINC000540740937 1071385600 /nfs/dbraw/zinc/38/56/00/1071385600.db2.gz FJMNFSVSBIFFNK-QGZVFWFLSA-N 1 2 416.482 -0.442 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)cc2)CC1 ZINC000540741665 1071384288 /nfs/dbraw/zinc/38/42/88/1071384288.db2.gz DHRQWVLKFOUZAM-KRWDZBQOSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)cc2)CC1 ZINC000540741668 1071384946 /nfs/dbraw/zinc/38/49/46/1071384946.db2.gz DHRQWVLKFOUZAM-QGZVFWFLSA-N 1 2 401.467 -0.364 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)cc2)CC1 ZINC000540743114 1071386094 /nfs/dbraw/zinc/38/60/94/1071386094.db2.gz XCURBNWTEFFIBR-CQSZACIVSA-N 1 2 403.483 -0.118 20 0 HBADLO COC[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540744044 1071386374 /nfs/dbraw/zinc/38/63/74/1071386374.db2.gz FKYJDYXVQHOELM-FQEVSTJZSA-N 1 2 406.483 -0.197 20 0 HBADLO COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000540744045 1071386199 /nfs/dbraw/zinc/38/61/99/1071386199.db2.gz FKYJDYXVQHOELM-HXUWFJFHSA-N 1 2 406.483 -0.197 20 0 HBADLO COCC[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540812237 1071389840 /nfs/dbraw/zinc/38/98/40/1071389840.db2.gz IWWCMLXQYANLJT-HNNXBMFYSA-N 1 2 415.516 -0.770 20 0 HBADLO COCC[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000540812238 1071390521 /nfs/dbraw/zinc/39/05/21/1071390521.db2.gz IWWCMLXQYANLJT-OAHLLOKOSA-N 1 2 415.516 -0.770 20 0 HBADLO CN(C)C(=O)NCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000540827434 1071391825 /nfs/dbraw/zinc/39/18/25/1071391825.db2.gz IPWVQSFZBVKOMO-UHFFFAOYSA-N 1 2 411.528 -0.278 20 0 HBADLO CN(C)C(=O)NCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000540827434 1071391818 /nfs/dbraw/zinc/39/18/18/1071391818.db2.gz IPWVQSFZBVKOMO-UHFFFAOYSA-N 1 2 411.528 -0.278 20 0 HBADLO C[C@H]1CCN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000540889244 1071398745 /nfs/dbraw/zinc/39/87/45/1071398745.db2.gz NKPGFXYYMXASLA-HNNXBMFYSA-N 1 2 417.557 -0.290 20 0 HBADLO C[C@@H]1CCN(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000540889245 1071398663 /nfs/dbraw/zinc/39/86/63/1071398663.db2.gz NKPGFXYYMXASLA-OAHLLOKOSA-N 1 2 417.557 -0.290 20 0 HBADLO C[C@H](CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000541029685 1071420886 /nfs/dbraw/zinc/42/08/86/1071420886.db2.gz QCMGOMGBXIZCQO-CYBMUJFWSA-N 1 2 400.476 -0.347 20 0 HBADLO C[C@H](CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000541029685 1071420879 /nfs/dbraw/zinc/42/08/79/1071420879.db2.gz QCMGOMGBXIZCQO-CYBMUJFWSA-N 1 2 400.476 -0.347 20 0 HBADLO C[C@@H](CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000541029690 1071420978 /nfs/dbraw/zinc/42/09/78/1071420978.db2.gz QCMGOMGBXIZCQO-ZDUSSCGKSA-N 1 2 400.476 -0.347 20 0 HBADLO C[C@@H](CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)S(N)(=O)=O ZINC000541029690 1071420972 /nfs/dbraw/zinc/42/09/72/1071420972.db2.gz QCMGOMGBXIZCQO-ZDUSSCGKSA-N 1 2 400.476 -0.347 20 0 HBADLO Cc1cc(N2CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000541031416 1071427478 /nfs/dbraw/zinc/42/74/78/1071427478.db2.gz UJPHBSSZCRESOG-CYBMUJFWSA-N 1 2 412.516 -0.650 20 0 HBADLO Cc1cc(N2CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)nc(C(C)C)[nH+]1 ZINC000541031417 1071427529 /nfs/dbraw/zinc/42/75/29/1071427529.db2.gz UJPHBSSZCRESOG-ZDUSSCGKSA-N 1 2 412.516 -0.650 20 0 HBADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000541081502 1071430096 /nfs/dbraw/zinc/43/00/96/1071430096.db2.gz MJBUFKBNWANXRT-GOSISDBHSA-N 1 2 413.496 -0.271 20 0 HBADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@]1(CO)CCOC1 ZINC000541081502 1071430089 /nfs/dbraw/zinc/43/00/89/1071430089.db2.gz MJBUFKBNWANXRT-GOSISDBHSA-N 1 2 413.496 -0.271 20 0 HBADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000541081503 1071430204 /nfs/dbraw/zinc/43/02/04/1071430204.db2.gz MJBUFKBNWANXRT-SFHVURJKSA-N 1 2 413.496 -0.271 20 0 HBADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@]1(CO)CCOC1 ZINC000541081503 1071430198 /nfs/dbraw/zinc/43/01/98/1071430198.db2.gz MJBUFKBNWANXRT-SFHVURJKSA-N 1 2 413.496 -0.271 20 0 HBADLO O=C(Cn1cnc(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)n1)N1CCCCCC1 ZINC000541138931 1069579444 /nfs/dbraw/zinc/57/94/44/1069579444.db2.gz BKZVDFWEDXJWKM-UHFFFAOYSA-N 1 2 403.487 -0.074 20 0 HBADLO CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC000541147777 1071435104 /nfs/dbraw/zinc/43/51/04/1071435104.db2.gz WWGOALOWIYGLJV-UHFFFAOYSA-N 1 2 410.500 -0.710 20 0 HBADLO COc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nn1C ZINC000541269329 1071441974 /nfs/dbraw/zinc/44/19/74/1071441974.db2.gz UZVMYFLZSFEUCF-UHFFFAOYSA-N 1 2 408.484 -0.295 20 0 HBADLO C[C@H](C[S@@](C)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000541339185 1071447045 /nfs/dbraw/zinc/44/70/45/1071447045.db2.gz QIDDHJHMXCRLNQ-IYJVBRSBSA-N 1 2 417.557 -0.400 20 0 HBADLO C[C@H](C[S@](C)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000541339187 1071447268 /nfs/dbraw/zinc/44/72/68/1071447268.db2.gz QIDDHJHMXCRLNQ-PTFIGZPYSA-N 1 2 417.557 -0.400 20 0 HBADLO C[C@@H](C[S@@](C)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000541339189 1071447205 /nfs/dbraw/zinc/44/72/05/1071447205.db2.gz QIDDHJHMXCRLNQ-RMKBEBRYSA-N 1 2 417.557 -0.400 20 0 HBADLO C[C@@H](C[S@](C)=O)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000541339190 1071447172 /nfs/dbraw/zinc/44/71/72/1071447172.db2.gz QIDDHJHMXCRLNQ-RXBISOJRSA-N 1 2 417.557 -0.400 20 0 HBADLO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541422698 1071451270 /nfs/dbraw/zinc/45/12/70/1071451270.db2.gz BSBHQKJNTXLTAP-AWEZNQCLSA-N 1 2 412.516 -0.710 20 0 HBADLO CN(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541422698 1071451264 /nfs/dbraw/zinc/45/12/64/1071451264.db2.gz BSBHQKJNTXLTAP-AWEZNQCLSA-N 1 2 412.516 -0.710 20 0 HBADLO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000541422699 1071451381 /nfs/dbraw/zinc/45/13/81/1071451381.db2.gz BSBHQKJNTXLTAP-CQSZACIVSA-N 1 2 412.516 -0.710 20 0 HBADLO CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000541422699 1071451375 /nfs/dbraw/zinc/45/13/75/1071451375.db2.gz BSBHQKJNTXLTAP-CQSZACIVSA-N 1 2 412.516 -0.710 20 0 HBADLO C[C@@H](O)[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000541491607 1071455268 /nfs/dbraw/zinc/45/52/68/1071455268.db2.gz RBFOANCIRXYJGH-CVEARBPZSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H](O)[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000541491608 1071455436 /nfs/dbraw/zinc/45/54/36/1071455436.db2.gz RBFOANCIRXYJGH-HOTGVXAUSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@@H](O)[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000541491609 1071455298 /nfs/dbraw/zinc/45/52/98/1071455298.db2.gz RBFOANCIRXYJGH-HZPDHXFCSA-N 1 2 411.528 -0.054 20 0 HBADLO C[C@H](O)[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000541491610 1071455361 /nfs/dbraw/zinc/45/53/61/1071455361.db2.gz RBFOANCIRXYJGH-JKSUJKDBSA-N 1 2 411.528 -0.054 20 0 HBADLO O=C(CN1CCOCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000541539253 1071457560 /nfs/dbraw/zinc/45/75/60/1071457560.db2.gz DNPISAHNGMJUGF-KRWDZBQOSA-N 1 2 404.515 -0.191 20 0 HBADLO O=C(CN1CCOCC1)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000541539253 1071457552 /nfs/dbraw/zinc/45/75/52/1071457552.db2.gz DNPISAHNGMJUGF-KRWDZBQOSA-N 1 2 404.515 -0.191 20 0 HBADLO O=C(CN1CCOCC1)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000541539254 1071457540 /nfs/dbraw/zinc/45/75/40/1071457540.db2.gz DNPISAHNGMJUGF-QGZVFWFLSA-N 1 2 404.515 -0.191 20 0 HBADLO O=C(CN1CCOCC1)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000541539254 1071457536 /nfs/dbraw/zinc/45/75/36/1071457536.db2.gz DNPISAHNGMJUGF-QGZVFWFLSA-N 1 2 404.515 -0.191 20 0 HBADLO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000541548093 1071458329 /nfs/dbraw/zinc/45/83/29/1071458329.db2.gz HSLYXXXPNAVANE-INIZCTEOSA-N 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QFURFVIGZMHHJD-MRXNPFEDSA-N 1 2 404.471 -0.162 20 0 HBADLO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000541756715 1071477270 /nfs/dbraw/zinc/47/72/70/1071477270.db2.gz UTZQLPUSJOZLKX-AWEZNQCLSA-N 1 2 410.500 -0.375 20 0 HBADLO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000541756716 1071477340 /nfs/dbraw/zinc/47/73/40/1071477340.db2.gz UTZQLPUSJOZLKX-CQSZACIVSA-N 1 2 410.500 -0.375 20 0 HBADLO COCC(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000541757575 1071477282 /nfs/dbraw/zinc/47/72/82/1071477282.db2.gz HYHVOARUEFMVPN-UHFFFAOYSA-N 1 2 404.471 -0.208 20 0 HBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000541757721 1071477189 /nfs/dbraw/zinc/47/71/89/1071477189.db2.gz DSYHIFHRKAICEH-KRWDZBQOSA-N 1 2 420.514 -0.374 20 0 HBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000541757722 1071477226 /nfs/dbraw/zinc/47/72/26/1071477226.db2.gz DSYHIFHRKAICEH-QGZVFWFLSA-N 1 2 420.514 -0.374 20 0 HBADLO Cc1nnc(CN2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)[nH]1 ZINC000541777491 1071477919 /nfs/dbraw/zinc/47/79/19/1071477919.db2.gz GFVJCIPLEWYQNA-UHFFFAOYSA-N 1 2 403.491 -0.008 20 0 HBADLO Cc1nnc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000541864649 1071484165 /nfs/dbraw/zinc/48/41/65/1071484165.db2.gz GZSBXULGPFQENL-UHFFFAOYSA-N 1 2 403.534 -0.834 20 0 HBADLO Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1F ZINC000541942855 1071489595 /nfs/dbraw/zinc/48/95/95/1071489595.db2.gz FPHAABLFADSPHG-UHFFFAOYSA-N 1 2 420.532 -0.067 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn(C)c1=O ZINC000541958449 1071493959 /nfs/dbraw/zinc/49/39/59/1071493959.db2.gz UWTQMHWVPAFPKT-UHFFFAOYSA-N 1 2 403.483 -0.211 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn(C)c1=O ZINC000541958449 1071493957 /nfs/dbraw/zinc/49/39/57/1071493957.db2.gz UWTQMHWVPAFPKT-UHFFFAOYSA-N 1 2 403.483 -0.211 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cn(C)c1=O ZINC000541960201 1071491847 /nfs/dbraw/zinc/49/18/47/1071491847.db2.gz OAHPZRZBBGMNSO-UHFFFAOYSA-N 1 2 410.438 -0.342 20 0 HBADLO CNC(=O)[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000541972127 1071496092 /nfs/dbraw/zinc/49/60/92/1071496092.db2.gz VSWVRNJDMFAYRV-HNNXBMFYSA-N 1 2 404.471 -0.723 20 0 HBADLO CNC(=O)[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000541972128 1071496136 /nfs/dbraw/zinc/49/61/36/1071496136.db2.gz VSWVRNJDMFAYRV-OAHLLOKOSA-N 1 2 404.471 -0.723 20 0 HBADLO CNC(=O)[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000541988792 1071499776 /nfs/dbraw/zinc/49/97/76/1071499776.db2.gz LMSOURLFLUQUAP-KRWDZBQOSA-N 1 2 413.496 -0.467 20 0 HBADLO CNC(=O)[C@@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000541988792 1071499773 /nfs/dbraw/zinc/49/97/73/1071499773.db2.gz LMSOURLFLUQUAP-KRWDZBQOSA-N 1 2 413.496 -0.467 20 0 HBADLO CNC(=O)[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000541988793 1071499715 /nfs/dbraw/zinc/49/97/15/1071499715.db2.gz LMSOURLFLUQUAP-QGZVFWFLSA-N 1 2 413.496 -0.467 20 0 HBADLO CNC(=O)[C@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000541988793 1071499707 /nfs/dbraw/zinc/49/97/07/1071499707.db2.gz LMSOURLFLUQUAP-QGZVFWFLSA-N 1 2 413.496 -0.467 20 0 HBADLO O=C(CSc1nnc2ccccn21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000542033920 1071503071 /nfs/dbraw/zinc/50/30/71/1071503071.db2.gz UAHVNWCUQAXXBB-AWEZNQCLSA-N 1 2 404.496 -0.129 20 0 HBADLO O=C(CSc1nnc2ccccn21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000542033921 1071502980 /nfs/dbraw/zinc/50/29/80/1071502980.db2.gz UAHVNWCUQAXXBB-CQSZACIVSA-N 1 2 404.496 -0.129 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)CC1 ZINC000542076384 1071506948 /nfs/dbraw/zinc/50/69/48/1071506948.db2.gz UZDNCVUITUCONJ-GFCCVEGCSA-N 1 2 406.439 -0.172 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(N)=O)c2OC)CC1 ZINC000542076385 1071506835 /nfs/dbraw/zinc/50/68/35/1071506835.db2.gz UZDNCVUITUCONJ-LBPRGKRZSA-N 1 2 406.439 -0.172 20 0 HBADLO COCCn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)n1 ZINC000542076622 1071506738 /nfs/dbraw/zinc/50/67/38/1071506738.db2.gz GEVSITZYNDEQLT-UHFFFAOYSA-N 1 2 414.532 -0.912 20 0 HBADLO NS(=O)(=O)c1cccc2c1ccnc2C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000542164297 1071514847 /nfs/dbraw/zinc/51/48/47/1071514847.db2.gz CLLXOCFTTCALBS-UHFFFAOYSA-N 1 2 415.479 -0.068 20 0 HBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000542258358 1071525647 /nfs/dbraw/zinc/52/56/47/1071525647.db2.gz SXSVPZXOPGSJDQ-CRAIPNDOSA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000542258358 1071525639 /nfs/dbraw/zinc/52/56/39/1071525639.db2.gz SXSVPZXOPGSJDQ-CRAIPNDOSA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000542258359 1071525531 /nfs/dbraw/zinc/52/55/31/1071525531.db2.gz SXSVPZXOPGSJDQ-MAUKXSAKSA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000542258359 1071525514 /nfs/dbraw/zinc/52/55/14/1071525514.db2.gz SXSVPZXOPGSJDQ-MAUKXSAKSA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000542258360 1071525623 /nfs/dbraw/zinc/52/56/23/1071525623.db2.gz SXSVPZXOPGSJDQ-QAPCUYQASA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000542258360 1071525619 /nfs/dbraw/zinc/52/56/19/1071525619.db2.gz SXSVPZXOPGSJDQ-QAPCUYQASA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000542258361 1071525495 /nfs/dbraw/zinc/52/54/95/1071525495.db2.gz SXSVPZXOPGSJDQ-YJBOKZPZSA-N 1 2 421.519 -0.093 20 0 HBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000542258361 1071525484 /nfs/dbraw/zinc/52/54/84/1071525484.db2.gz SXSVPZXOPGSJDQ-YJBOKZPZSA-N 1 2 421.519 -0.093 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCSC[C@@H]2CO)CC1 ZINC000542268089 1071524061 /nfs/dbraw/zinc/52/40/61/1071524061.db2.gz JWPDHOLJNJSUAM-AWEZNQCLSA-N 1 2 418.541 -0.466 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2CO)CC1 ZINC000542268089 1071524056 /nfs/dbraw/zinc/52/40/56/1071524056.db2.gz JWPDHOLJNJSUAM-AWEZNQCLSA-N 1 2 418.541 -0.466 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000542268090 1071524007 /nfs/dbraw/zinc/52/40/07/1071524007.db2.gz JWPDHOLJNJSUAM-CQSZACIVSA-N 1 2 418.541 -0.466 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000542268090 1071523995 /nfs/dbraw/zinc/52/39/95/1071523995.db2.gz JWPDHOLJNJSUAM-CQSZACIVSA-N 1 2 418.541 -0.466 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000542292928 1071527256 /nfs/dbraw/zinc/52/72/56/1071527256.db2.gz IALHGCMMXRSGEV-GFCCVEGCSA-N 1 2 409.443 -0.369 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000542292933 1071527540 /nfs/dbraw/zinc/52/75/40/1071527540.db2.gz IALHGCMMXRSGEV-LBPRGKRZSA-N 1 2 409.443 -0.369 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ncn(C(C)(C)C)n2)CC1 ZINC000542299818 1069548788 /nfs/dbraw/zinc/54/87/88/1069548788.db2.gz MZHCXBRQRRWSLV-UHFFFAOYSA-N 1 2 412.458 -0.003 20 0 HBADLO O=C(NCCCn1ccnn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542304594 1071527583 /nfs/dbraw/zinc/52/75/83/1071527583.db2.gz XRQHKCNEWHQMMA-UHFFFAOYSA-N 1 2 401.475 -0.173 20 0 HBADLO O=C(NCCCn1ccnn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542304594 1071527573 /nfs/dbraw/zinc/52/75/73/1071527573.db2.gz XRQHKCNEWHQMMA-UHFFFAOYSA-N 1 2 401.475 -0.173 20 0 HBADLO O=C(COCCNC(=O)c1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000542363636 1071532245 /nfs/dbraw/zinc/53/22/45/1071532245.db2.gz WHXIWJDVVPQMLW-GOSISDBHSA-N 1 2 418.494 -0.518 20 0 HBADLO O=C(COCCNC(=O)c1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000542363637 1071532113 /nfs/dbraw/zinc/53/21/13/1071532113.db2.gz WHXIWJDVVPQMLW-SFHVURJKSA-N 1 2 418.494 -0.518 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000542419841 1071537358 /nfs/dbraw/zinc/53/73/58/1071537358.db2.gz NMGZSNMGWBSOBZ-BBWFWOEESA-N 1 2 423.539 -0.054 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000542419842 1071537437 /nfs/dbraw/zinc/53/74/37/1071537437.db2.gz NMGZSNMGWBSOBZ-GVDBMIGSSA-N 1 2 423.539 -0.054 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000542419843 1071537290 /nfs/dbraw/zinc/53/72/90/1071537290.db2.gz NMGZSNMGWBSOBZ-ULQDDVLXSA-N 1 2 423.539 -0.054 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000542419844 1071537322 /nfs/dbraw/zinc/53/73/22/1071537322.db2.gz NMGZSNMGWBSOBZ-YESZJQIVSA-N 1 2 423.539 -0.054 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1)N1CCOCC1 ZINC000542467844 1071577819 /nfs/dbraw/zinc/57/78/19/1071577819.db2.gz AZTTVUOCDGXYCH-INIZCTEOSA-N 1 2 418.498 -0.665 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1)N1CCOCC1 ZINC000542467844 1071577817 /nfs/dbraw/zinc/57/78/17/1071577817.db2.gz AZTTVUOCDGXYCH-INIZCTEOSA-N 1 2 418.498 -0.665 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1)N1CCOCC1 ZINC000542467845 1071577865 /nfs/dbraw/zinc/57/78/65/1071577865.db2.gz AZTTVUOCDGXYCH-MRXNPFEDSA-N 1 2 418.498 -0.665 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1)N1CCOCC1 ZINC000542467845 1071577860 /nfs/dbraw/zinc/57/78/60/1071577860.db2.gz AZTTVUOCDGXYCH-MRXNPFEDSA-N 1 2 418.498 -0.665 20 0 HBADLO CCC(CC)[C@@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[NH+]1CCOCC1 ZINC000542481144 1071601832 /nfs/dbraw/zinc/60/18/32/1071601832.db2.gz JBBFFNQZRUXSRO-HNNXBMFYSA-N 1 2 414.532 -0.225 20 0 HBADLO CCC(CC)[C@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[NH+]1CCOCC1 ZINC000542481147 1071601885 /nfs/dbraw/zinc/60/18/85/1071601885.db2.gz JBBFFNQZRUXSRO-OAHLLOKOSA-N 1 2 414.532 -0.225 20 0 HBADLO Cn1nnc2cc(C(=O)N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)cnc21 ZINC000542512277 1071626905 /nfs/dbraw/zinc/62/69/05/1071626905.db2.gz WIMQWXHNIBPXTE-UHFFFAOYSA-N 1 2 409.454 -0.048 20 0 HBADLO Cn1nnc2cc(C(=O)N3CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)cnc21 ZINC000542512277 1071626898 /nfs/dbraw/zinc/62/68/98/1071626898.db2.gz WIMQWXHNIBPXTE-UHFFFAOYSA-N 1 2 409.454 -0.048 20 0 HBADLO COC[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(C)o1 ZINC000542558848 1071679739 /nfs/dbraw/zinc/67/97/39/1071679739.db2.gz ICEXRFOBYLTAFV-KRWDZBQOSA-N 1 2 408.499 -0.132 20 0 HBADLO COC[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(C)o1 ZINC000542558849 1071679825 /nfs/dbraw/zinc/67/98/25/1071679825.db2.gz ICEXRFOBYLTAFV-QGZVFWFLSA-N 1 2 408.499 -0.132 20 0 HBADLO C[C@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nnnn1-c1ccccc1 ZINC000542568009 1071704597 /nfs/dbraw/zinc/70/45/97/1071704597.db2.gz DJPNUFYPELWHCP-HNNXBMFYSA-N 1 2 400.487 -0.455 20 0 HBADLO C[C@@H]([NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1)c1nnnn1-c1ccccc1 ZINC000542568146 1071704650 /nfs/dbraw/zinc/70/46/50/1071704650.db2.gz DJPNUFYPELWHCP-OAHLLOKOSA-N 1 2 400.487 -0.455 20 0 HBADLO Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542598514 1071768211 /nfs/dbraw/zinc/76/82/11/1071768211.db2.gz HOENFLKYTMTNAA-UHFFFAOYSA-N 1 2 404.467 -0.458 20 0 HBADLO Cc1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cccc1S(=O)(=O)NC1CC1 ZINC000542598552 1071767490 /nfs/dbraw/zinc/76/74/90/1071767490.db2.gz ONSFERJARHNCMA-UHFFFAOYSA-N 1 2 410.496 -0.489 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c(C)c1S(=O)(=O)NC1CC1 ZINC000542599262 1071770337 /nfs/dbraw/zinc/77/03/37/1071770337.db2.gz DCZRKJFRNNGOGE-UHFFFAOYSA-N 1 2 424.523 -0.181 20 0 HBADLO CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000542599481 1071770193 /nfs/dbraw/zinc/77/01/93/1071770193.db2.gz GERAZBGILPJQSA-UHFFFAOYSA-N 1 2 406.483 -0.082 20 0 HBADLO COc1cc(NS(C)(=O)=O)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000542599680 1071772812 /nfs/dbraw/zinc/77/28/12/1071772812.db2.gz DYOQPMYCJMAARE-UHFFFAOYSA-N 1 2 400.457 -0.858 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000542599722 1071772688 /nfs/dbraw/zinc/77/26/88/1071772688.db2.gz BAZHRWQSNZTGOV-DLBZAZTESA-N 1 2 404.467 -0.088 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000542599723 1071772889 /nfs/dbraw/zinc/77/28/89/1071772889.db2.gz BAZHRWQSNZTGOV-IAGOWNOFSA-N 1 2 404.467 -0.088 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000542599724 1071772836 /nfs/dbraw/zinc/77/28/36/1071772836.db2.gz BAZHRWQSNZTGOV-IRXDYDNUSA-N 1 2 404.467 -0.088 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000542599726 1071772820 /nfs/dbraw/zinc/77/28/20/1071772820.db2.gz BAZHRWQSNZTGOV-SJORKVTESA-N 1 2 404.467 -0.088 20 0 HBADLO CCOC(=O)c1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc(OC)cc1OC ZINC000542600405 1071772341 /nfs/dbraw/zinc/77/23/41/1071772341.db2.gz HZLQGARQRPZECC-UHFFFAOYSA-N 1 2 409.439 -0.045 20 0 HBADLO O=C(Nc1ccc(F)c(-n2nnnc2C2CC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542600413 1071772113 /nfs/dbraw/zinc/77/21/13/1071772113.db2.gz OKWHMTMVZXVWLS-UHFFFAOYSA-N 1 2 403.418 -0.246 20 0 HBADLO COc1cc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)ccc1S(=O)(=O)N(C)C ZINC000542600558 1071772706 /nfs/dbraw/zinc/77/27/06/1071772706.db2.gz KOLDIHAXNBSTIA-UHFFFAOYSA-N 1 2 414.484 -0.980 20 0 HBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000542601035 1071772850 /nfs/dbraw/zinc/77/28/50/1071772850.db2.gz LKQVOQRDZPBLSI-UHFFFAOYSA-N 1 2 406.439 -0.946 20 0 HBADLO O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000542601128 1071772922 /nfs/dbraw/zinc/77/29/22/1071772922.db2.gz UNUPCPXTRSAHSO-UHFFFAOYSA-N 1 2 424.523 -0.064 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000542627309 1072164736 /nfs/dbraw/zinc/16/47/36/1072164736.db2.gz OXYFEKJFDRWAKH-HNNXBMFYSA-N 1 2 400.487 -0.972 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000542627309 1072164729 /nfs/dbraw/zinc/16/47/29/1072164729.db2.gz OXYFEKJFDRWAKH-HNNXBMFYSA-N 1 2 400.487 -0.972 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000542627310 1072164750 /nfs/dbraw/zinc/16/47/50/1072164750.db2.gz OXYFEKJFDRWAKH-OAHLLOKOSA-N 1 2 400.487 -0.972 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000542627310 1072164747 /nfs/dbraw/zinc/16/47/47/1072164747.db2.gz OXYFEKJFDRWAKH-OAHLLOKOSA-N 1 2 400.487 -0.972 20 0 HBADLO CCN1CCN(C(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)CC1=O ZINC000542641146 1068971563 /nfs/dbraw/zinc/97/15/63/1068971563.db2.gz DGJDTUXTLIAJOU-UHFFFAOYSA-N 1 2 415.494 -0.020 20 0 HBADLO Cc1nnc(CN2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)[nH]1 ZINC000542662602 1069651377 /nfs/dbraw/zinc/65/13/77/1069651377.db2.gz RLGRJCIZHLAZNJ-UHFFFAOYSA-N 1 2 403.491 -0.008 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000542686510 1069152021 /nfs/dbraw/zinc/15/20/21/1069152021.db2.gz KEPSFGQBSRRZBA-AWEZNQCLSA-N 1 2 424.527 -0.128 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)ccn2)CC1 ZINC000542686519 1069151989 /nfs/dbraw/zinc/15/19/89/1069151989.db2.gz KEPSFGQBSRRZBA-CQSZACIVSA-N 1 2 424.527 -0.128 20 0 HBADLO COCCN1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1=O ZINC000542687353 1069152034 /nfs/dbraw/zinc/15/20/34/1069152034.db2.gz TZEMZQVVUNZKQL-UHFFFAOYSA-N 1 2 404.471 -0.208 20 0 HBADLO CN(CC(=O)N1CCOCC1)C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000542688115 1069151850 /nfs/dbraw/zinc/15/18/50/1069151850.db2.gz QCQYPMWJAQEQOI-UHFFFAOYSA-N 1 2 404.471 -0.208 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000542688269 1069151881 /nfs/dbraw/zinc/15/18/81/1069151881.db2.gz XYGMCORDNFCWOM-UHFFFAOYSA-N 1 2 424.527 -0.032 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCN3CCCS3(=O)=O)ccn2)CC1 ZINC000542689168 1069152263 /nfs/dbraw/zinc/15/22/63/1069152263.db2.gz QIWJKIAXSITFGJ-UHFFFAOYSA-N 1 2 410.500 -0.374 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)[C@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000542751069 1069163161 /nfs/dbraw/zinc/16/31/61/1069163161.db2.gz UBMIKZRKSSNZBC-HNNXBMFYSA-N 1 2 418.541 -0.368 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)[C@@H]1CCCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000542751071 1069162989 /nfs/dbraw/zinc/16/29/89/1069162989.db2.gz UBMIKZRKSSNZBC-OAHLLOKOSA-N 1 2 418.541 -0.368 20 0 HBADLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542757800 1069165343 /nfs/dbraw/zinc/16/53/43/1069165343.db2.gz YTFNAYAARPZIGH-HNNXBMFYSA-N 1 2 424.527 -0.278 20 0 HBADLO O=C(N[C@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542757800 1069165338 /nfs/dbraw/zinc/16/53/38/1069165338.db2.gz YTFNAYAARPZIGH-HNNXBMFYSA-N 1 2 424.527 -0.278 20 0 HBADLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000542757801 1069165187 /nfs/dbraw/zinc/16/51/87/1069165187.db2.gz YTFNAYAARPZIGH-OAHLLOKOSA-N 1 2 424.527 -0.278 20 0 HBADLO O=C(N[C@@H]1CCCS(=O)(=O)C1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000542757801 1069165183 /nfs/dbraw/zinc/16/51/83/1069165183.db2.gz YTFNAYAARPZIGH-OAHLLOKOSA-N 1 2 424.527 -0.278 20 0 HBADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000542879048 1069187151 /nfs/dbraw/zinc/18/71/51/1069187151.db2.gz ZSUADSZGYCBCFR-AWEZNQCLSA-N 1 2 411.528 -0.060 20 0 HBADLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000542879049 1069187209 /nfs/dbraw/zinc/18/72/09/1069187209.db2.gz ZSUADSZGYCBCFR-CQSZACIVSA-N 1 2 411.528 -0.060 20 0 HBADLO COCC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000542905850 1069203809 /nfs/dbraw/zinc/20/38/09/1069203809.db2.gz GDRPQIMEHPRKIS-CVEARBPZSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000542905850 1069203805 /nfs/dbraw/zinc/20/38/05/1069203805.db2.gz GDRPQIMEHPRKIS-CVEARBPZSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000542905851 1069203688 /nfs/dbraw/zinc/20/36/88/1069203688.db2.gz GDRPQIMEHPRKIS-HOTGVXAUSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000542905851 1069203682 /nfs/dbraw/zinc/20/36/82/1069203682.db2.gz GDRPQIMEHPRKIS-HOTGVXAUSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000542905852 1069203767 /nfs/dbraw/zinc/20/37/67/1069203767.db2.gz GDRPQIMEHPRKIS-HZPDHXFCSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000542905852 1069203761 /nfs/dbraw/zinc/20/37/61/1069203761.db2.gz GDRPQIMEHPRKIS-HZPDHXFCSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000542905853 1069203914 /nfs/dbraw/zinc/20/39/14/1069203914.db2.gz GDRPQIMEHPRKIS-JKSUJKDBSA-N 1 2 408.503 -0.021 20 0 HBADLO COCC[C@H](CO)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000542905853 1069203901 /nfs/dbraw/zinc/20/39/01/1069203901.db2.gz GDRPQIMEHPRKIS-JKSUJKDBSA-N 1 2 408.503 -0.021 20 0 HBADLO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000542911288 1069207581 /nfs/dbraw/zinc/20/75/81/1069207581.db2.gz ZTNSENQSLMLTJK-DOTOQJQBSA-N 1 2 411.524 -0.351 20 0 HBADLO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000542911289 1069207732 /nfs/dbraw/zinc/20/77/32/1069207732.db2.gz ZTNSENQSLMLTJK-NVXWUHKLSA-N 1 2 411.524 -0.351 20 0 HBADLO COc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000542911290 1069207711 /nfs/dbraw/zinc/20/77/11/1069207711.db2.gz ZTNSENQSLMLTJK-RDJZCZTQSA-N 1 2 411.524 -0.351 20 0 HBADLO COc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000542911291 1069207633 /nfs/dbraw/zinc/20/76/33/1069207633.db2.gz ZTNSENQSLMLTJK-WBVHZDCISA-N 1 2 411.524 -0.351 20 0 HBADLO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@]1(CO)CCOC1 ZINC000542939476 1069214881 /nfs/dbraw/zinc/21/48/81/1069214881.db2.gz IHXJUHQYGBIMBX-GOSISDBHSA-N 1 2 413.496 -0.271 20 0 HBADLO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@]1(CO)CCOC1 ZINC000542939476 1069214879 /nfs/dbraw/zinc/21/48/79/1069214879.db2.gz IHXJUHQYGBIMBX-GOSISDBHSA-N 1 2 413.496 -0.271 20 0 HBADLO C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@]1(CO)CCOC1 ZINC000542939477 1069215005 /nfs/dbraw/zinc/21/50/05/1069215005.db2.gz IHXJUHQYGBIMBX-SFHVURJKSA-N 1 2 413.496 -0.271 20 0 HBADLO C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@]1(CO)CCOC1 ZINC000542939477 1069214999 /nfs/dbraw/zinc/21/49/99/1069214999.db2.gz IHXJUHQYGBIMBX-SFHVURJKSA-N 1 2 413.496 -0.271 20 0 HBADLO COc1ncncc1NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000543005544 1069273115 /nfs/dbraw/zinc/27/31/15/1069273115.db2.gz RFYGBLVYYFNFEG-UHFFFAOYSA-N 1 2 413.438 -0.326 20 0 HBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)CC2)c1 ZINC000543010631 1069631874 /nfs/dbraw/zinc/63/18/74/1069631874.db2.gz FCPNALATVUZLGH-UHFFFAOYSA-N 1 2 413.482 -0.042 20 0 HBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)CC1 ZINC000543014764 1069633482 /nfs/dbraw/zinc/63/34/82/1069633482.db2.gz LRDZJUMNMIXKMV-UHFFFAOYSA-N 1 2 413.482 -0.042 20 0 HBADLO CC[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(S(N)(=O)=O)c1 ZINC000543064615 1069284670 /nfs/dbraw/zinc/28/46/70/1069284670.db2.gz ZXHFNZKDFDRHOK-GFCCVEGCSA-N 1 2 406.468 -0.151 20 0 HBADLO CC[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(S(N)(=O)=O)c1 ZINC000543064620 1069284528 /nfs/dbraw/zinc/28/45/28/1069284528.db2.gz ZXHFNZKDFDRHOK-LBPRGKRZSA-N 1 2 406.468 -0.151 20 0 HBADLO CC(=O)N[C@@H](CC(C)C)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543103624 1069292653 /nfs/dbraw/zinc/29/26/53/1069292653.db2.gz RWGJICXZLAOAIO-INIZCTEOSA-N 1 2 403.549 -0.826 20 0 HBADLO CC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000543138532 1069299363 /nfs/dbraw/zinc/29/93/63/1069299363.db2.gz DFXFPPTUCDVRLR-UHFFFAOYSA-N 1 2 423.539 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O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543359479 1069331496 /nfs/dbraw/zinc/33/14/96/1069331496.db2.gz JHOXFYVEJRUCQA-SJLPKXTDSA-N 1 2 415.494 -0.126 20 0 HBADLO O=C(N[C@H]1CCCN(c2cccnc2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000543359481 1069331386 /nfs/dbraw/zinc/33/13/86/1069331386.db2.gz JHOXFYVEJRUCQA-WMZOPIPTSA-N 1 2 415.494 -0.126 20 0 HBADLO O=C(CN1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1)N1CCOCC1 ZINC000543399082 1069336820 /nfs/dbraw/zinc/33/68/20/1069336820.db2.gz YZYDCOLFSXZZHX-KRWDZBQOSA-N 1 2 404.515 -0.191 20 0 HBADLO O=C(CN1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1)N1CCOCC1 ZINC000543399083 1069336700 /nfs/dbraw/zinc/33/67/00/1069336700.db2.gz YZYDCOLFSXZZHX-QGZVFWFLSA-N 1 2 404.515 -0.191 20 0 HBADLO COC[C@@](C)(NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)OC ZINC000543441116 1069343095 /nfs/dbraw/zinc/34/30/95/1069343095.db2.gz FDIGAVNDZDGLHZ-GOSISDBHSA-N 1 2 405.459 -0.820 20 0 HBADLO COC[C@](C)(NCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)C(=O)OC 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Cc1c(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cccc1C(=O)N1CCOCC1 ZINC000543529430 1069422147 /nfs/dbraw/zinc/42/21/47/1069422147.db2.gz NDMZOXXIEQTFHI-UHFFFAOYSA-N 1 2 404.467 -0.458 20 0 HBADLO O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543529583 1069422491 /nfs/dbraw/zinc/42/24/91/1069422491.db2.gz ZTLNNJYQYHBTNI-UHFFFAOYSA-N 1 2 424.885 -0.113 20 0 HBADLO CN(C)C(=O)Cn1ccc2ccc(NC(=O)C(=O)N3CC[NH+](CCO)CC3)cc21 ZINC000543530202 1069422612 /nfs/dbraw/zinc/42/26/12/1069422612.db2.gz SVOVFGFVZIKFQX-UHFFFAOYSA-N 1 2 401.467 -0.196 20 0 HBADLO O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000543533992 1069423953 /nfs/dbraw/zinc/42/39/53/1069423953.db2.gz NKXUWIUQAIPWFT-UHFFFAOYSA-N 1 2 424.461 -0.381 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1-n1nnnc1C1CC1 ZINC000543535146 1069424107 /nfs/dbraw/zinc/42/41/07/1069424107.db2.gz SSSDSUSLLYZBDT-UHFFFAOYSA-N 1 2 415.454 -0.377 20 0 HBADLO COC(=O)COc1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c2cccnc12 ZINC000543535207 1069424145 /nfs/dbraw/zinc/42/41/45/1069424145.db2.gz VIWAVEONBFYFLD-UHFFFAOYSA-N 1 2 416.434 -0.138 20 0 HBADLO CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000543535405 1069424673 /nfs/dbraw/zinc/42/46/73/1069424673.db2.gz XJWWBUDQKQFURZ-UHFFFAOYSA-N 1 2 412.512 -0.210 20 0 HBADLO C[C@@H]1C[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000543538536 1069425950 /nfs/dbraw/zinc/42/59/50/1069425950.db2.gz JJYJIJXJSCXRBV-CABCVRRESA-N 1 2 409.512 -0.436 20 0 HBADLO C[C@H]1C[C@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000543538539 1069425783 /nfs/dbraw/zinc/42/57/83/1069425783.db2.gz JJYJIJXJSCXRBV-GJZGRUSLSA-N 1 2 409.512 -0.436 20 0 HBADLO C[C@@H]1C[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000543538542 1069425903 /nfs/dbraw/zinc/42/59/03/1069425903.db2.gz JJYJIJXJSCXRBV-HUUCEWRRSA-N 1 2 409.512 -0.436 20 0 HBADLO C[C@H]1C[C@@H](C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC(=O)N1 ZINC000543538544 1069425794 /nfs/dbraw/zinc/42/57/94/1069425794.db2.gz JJYJIJXJSCXRBV-LSDHHAIUSA-N 1 2 409.512 -0.436 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2n[nH]nc2c1 ZINC000543538957 1069425342 /nfs/dbraw/zinc/42/53/42/1069425342.db2.gz ODTPYXZYEQDLQB-UHFFFAOYSA-N 1 2 416.467 -0.370 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000543554789 1069427835 /nfs/dbraw/zinc/42/78/35/1069427835.db2.gz YQMRKMFWMCDONQ-UHFFFAOYSA-N 1 2 410.496 -0.144 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000543555493 1069427886 /nfs/dbraw/zinc/42/78/86/1069427886.db2.gz UAPNGZLVEOQVLQ-IBGZPJMESA-N 1 2 400.487 -0.258 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)CC1 ZINC000543555493 1069427880 /nfs/dbraw/zinc/42/78/80/1069427880.db2.gz UAPNGZLVEOQVLQ-IBGZPJMESA-N 1 2 400.487 -0.258 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000543555496 1069427805 /nfs/dbraw/zinc/42/78/05/1069427805.db2.gz UAPNGZLVEOQVLQ-LJQANCHMSA-N 1 2 400.487 -0.258 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCC[C@]2(C)C(N)=O)CC1 ZINC000543555496 1069427798 /nfs/dbraw/zinc/42/77/98/1069427798.db2.gz UAPNGZLVEOQVLQ-LJQANCHMSA-N 1 2 400.487 -0.258 20 0 HBADLO O=C(C[N@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543560306 1069429330 /nfs/dbraw/zinc/42/93/30/1069429330.db2.gz YBBZUNPPUZNAEU-KRWDZBQOSA-N 1 2 408.524 -0.464 20 0 HBADLO O=C(C[N@@H+]1CCN2CCOC[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543560306 1069429325 /nfs/dbraw/zinc/42/93/25/1069429325.db2.gz YBBZUNPPUZNAEU-KRWDZBQOSA-N 1 2 408.524 -0.464 20 0 HBADLO O=C(C[N@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543560307 1069429204 /nfs/dbraw/zinc/42/92/04/1069429204.db2.gz YBBZUNPPUZNAEU-QGZVFWFLSA-N 1 2 408.524 -0.464 20 0 HBADLO O=C(C[N@@H+]1CCN2CCOC[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000543560307 1069429200 /nfs/dbraw/zinc/42/92/00/1069429200.db2.gz YBBZUNPPUZNAEU-QGZVFWFLSA-N 1 2 408.524 -0.464 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(S(C)(=O)=O)CC3)ccn2)CC1 ZINC000543614323 1069580424 /nfs/dbraw/zinc/58/04/24/1069580424.db2.gz FOHHQZMMXCASOX-UHFFFAOYSA-N 1 2 410.500 -0.422 20 0 HBADLO CCNC(=O)CN1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000543614611 1069583661 /nfs/dbraw/zinc/58/36/61/1069583661.db2.gz JPIGVRCJIIUSDA-UHFFFAOYSA-N 1 2 417.514 -0.245 20 0 HBADLO C[C@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)N1CCOCC1 ZINC000543614648 1069585352 /nfs/dbraw/zinc/58/53/52/1069585352.db2.gz HCVKVRXHFUCQBM-AWEZNQCLSA-N 1 2 404.471 -0.162 20 0 HBADLO C[C@@H](NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)C(=O)N1CCOCC1 ZINC000543614655 1069585302 /nfs/dbraw/zinc/58/53/02/1069585302.db2.gz HCVKVRXHFUCQBM-CQSZACIVSA-N 1 2 404.471 -0.162 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCO[C@H](Cn4cncn4)C3)ccn2)CC1 ZINC000543614907 1069585470 /nfs/dbraw/zinc/58/54/70/1069585470.db2.gz MRQRDXBNQDGQDO-INIZCTEOSA-N 1 2 414.470 -0.006 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCO[C@@H](Cn4cncn4)C3)ccn2)CC1 ZINC000543614908 1069585385 /nfs/dbraw/zinc/58/53/85/1069585385.db2.gz MRQRDXBNQDGQDO-MRXNPFEDSA-N 1 2 414.470 -0.006 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)ccn2)CC1 ZINC000543615579 1069585985 /nfs/dbraw/zinc/58/59/85/1069585985.db2.gz ZGLQNFUUCLXZLQ-AWEZNQCLSA-N 1 2 401.427 -0.763 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)ccn2)CC1 ZINC000543615580 1069586005 /nfs/dbraw/zinc/58/60/05/1069586005.db2.gz ZGLQNFUUCLXZLQ-CQSZACIVSA-N 1 2 401.427 -0.763 20 0 HBADLO Cn1ccnc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)c1=O ZINC000543617576 1069587155 /nfs/dbraw/zinc/58/71/55/1069587155.db2.gz ZVKAGTKGNJKDNE-UHFFFAOYSA-N 1 2 400.443 -0.239 20 0 HBADLO Cn1ccnc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)c1=O ZINC000543617576 1069587147 /nfs/dbraw/zinc/58/71/47/1069587147.db2.gz ZVKAGTKGNJKDNE-UHFFFAOYSA-N 1 2 400.443 -0.239 20 0 HBADLO Cn1ccnc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1=O ZINC000543663043 1069642615 /nfs/dbraw/zinc/64/26/15/1069642615.db2.gz POYUWLPSMAVVGC-UHFFFAOYSA-N 1 2 421.483 -0.551 20 0 HBADLO O=C(CCNC(=O)N1CCN2CCOC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000543677759 1069665597 /nfs/dbraw/zinc/66/55/97/1069665597.db2.gz GGZUAYRKSCZATM-KRWDZBQOSA-N 1 2 402.499 -0.154 20 0 HBADLO O=C(CCNC(=O)N1CCN2CCOC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000543677760 1069665526 /nfs/dbraw/zinc/66/55/26/1069665526.db2.gz GGZUAYRKSCZATM-QGZVFWFLSA-N 1 2 402.499 -0.154 20 0 HBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCCS(=O)(=O)C1 ZINC000543690097 1069694478 /nfs/dbraw/zinc/69/44/78/1069694478.db2.gz WEWYFUBMGFAQTK-HNNXBMFYSA-N 1 2 409.512 -0.003 20 0 HBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCCS(=O)(=O)C1 ZINC000543690098 1069694730 /nfs/dbraw/zinc/69/47/30/1069694730.db2.gz WEWYFUBMGFAQTK-OAHLLOKOSA-N 1 2 409.512 -0.003 20 0 HBADLO COC(=O)C1(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CCOCC1 ZINC000543777923 1071920705 /nfs/dbraw/zinc/92/07/05/1071920705.db2.gz PTXCHMUVCMHMKN-UHFFFAOYSA-N 1 2 406.487 -0.132 20 0 HBADLO Cc1ccc(F)cc1C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000543798300 1071922421 /nfs/dbraw/zinc/92/24/21/1071922421.db2.gz FUBZOECLODWJDE-UHFFFAOYSA-N 1 2 412.487 -0.047 20 0 HBADLO NC(=O)c1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000543800135 1071923271 /nfs/dbraw/zinc/92/32/71/1071923271.db2.gz YKPAMTXDANMMEW-UHFFFAOYSA-N 1 2 418.479 -0.543 20 0 HBADLO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000543815637 1071962193 /nfs/dbraw/zinc/96/21/93/1071962193.db2.gz KKTGVCUTNYQSRC-UHFFFAOYSA-N 1 2 403.483 -0.211 20 0 HBADLO Cc1cc(=O)n(C)cc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000543815637 1071962182 /nfs/dbraw/zinc/96/21/82/1071962182.db2.gz KKTGVCUTNYQSRC-UHFFFAOYSA-N 1 2 403.483 -0.211 20 0 HBADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)c1 ZINC000543816724 1071963327 /nfs/dbraw/zinc/96/33/27/1071963327.db2.gz YTTKCNICMLBFIS-KBPBESRZSA-N 1 2 412.512 -0.306 20 0 HBADLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)c1 ZINC000543816725 1071963472 /nfs/dbraw/zinc/96/34/72/1071963472.db2.gz YTTKCNICMLBFIS-KGLIPLIRSA-N 1 2 412.512 -0.306 20 0 HBADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)c1 ZINC000543816726 1071963546 /nfs/dbraw/zinc/96/35/46/1071963546.db2.gz YTTKCNICMLBFIS-UONOGXRCSA-N 1 2 412.512 -0.306 20 0 HBADLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)c1 ZINC000543816727 1071963389 /nfs/dbraw/zinc/96/33/89/1071963389.db2.gz YTTKCNICMLBFIS-ZIAGYGMSSA-N 1 2 412.512 -0.306 20 0 HBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCO1 ZINC000543827316 1068944719 /nfs/dbraw/zinc/94/47/19/1068944719.db2.gz UKZMRLIRMCSXQL-KRWDZBQOSA-N 1 2 403.483 -0.654 20 0 HBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCO1 ZINC000543827322 1071966363 /nfs/dbraw/zinc/96/63/63/1071966363.db2.gz UKZMRLIRMCSXQL-QGZVFWFLSA-N 1 2 403.483 -0.654 20 0 HBADLO COCCN(C(=O)C[NH2+][C@H](CO)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000543839503 1068224272 /nfs/dbraw/zinc/22/42/72/1068224272.db2.gz LMURSJGACVESOY-GDBMZVCRSA-N 1 2 400.497 -0.020 20 0 HBADLO COCCN(C(=O)C[NH2+][C@H](CO)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000543839507 1068225112 /nfs/dbraw/zinc/22/51/12/1068225112.db2.gz LMURSJGACVESOY-GOEBONIOSA-N 1 2 400.497 -0.020 20 0 HBADLO COCCN(C(=O)C[NH2+][C@@H](CO)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000543839509 1068225170 /nfs/dbraw/zinc/22/51/70/1068225170.db2.gz LMURSJGACVESOY-HOCLYGCPSA-N 1 2 400.497 -0.020 20 0 HBADLO COCCN(C(=O)C[NH2+][C@@H](CO)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000543839511 1068225065 /nfs/dbraw/zinc/22/50/65/1068225065.db2.gz LMURSJGACVESOY-ZBFHGGJFSA-N 1 2 400.497 -0.020 20 0 HBADLO CC(=O)c1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000543856685 1071968057 /nfs/dbraw/zinc/96/80/57/1071968057.db2.gz RTGNMFULPXFJDH-UHFFFAOYSA-N 1 2 423.539 -0.063 20 0 HBADLO COC(=O)[C@@H]1C[C@H](OC)CN1CC1(C[N@H+]2C[C@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859284 1068957310 /nfs/dbraw/zinc/95/73/10/1068957310.db2.gz UWCFSOZAFXJDNM-FZKCQIBNSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@@H]1C[C@H](OC)CN1CC1(C[N@@H+]2C[C@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859284 1068957305 /nfs/dbraw/zinc/95/73/05/1068957305.db2.gz UWCFSOZAFXJDNM-FZKCQIBNSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](OC)CN1CC1(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859284 1068957303 /nfs/dbraw/zinc/95/73/03/1068957303.db2.gz UWCFSOZAFXJDNM-FZKCQIBNSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](OC)CN1CC1(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859284 1068957294 /nfs/dbraw/zinc/95/72/94/1068957294.db2.gz UWCFSOZAFXJDNM-FZKCQIBNSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CC1(CN2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859285 1068957076 /nfs/dbraw/zinc/95/70/76/1068957076.db2.gz UWCFSOZAFXJDNM-GEEKYZPCSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CC1(CN2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859285 1068957062 /nfs/dbraw/zinc/95/70/62/1068957062.db2.gz UWCFSOZAFXJDNM-GEEKYZPCSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@@H](OC)CN1CC1(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859285 1068957057 /nfs/dbraw/zinc/95/70/57/1068957057.db2.gz UWCFSOZAFXJDNM-GEEKYZPCSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@@H](OC)CN1CC1(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859285 1068957045 /nfs/dbraw/zinc/95/70/45/1068957045.db2.gz UWCFSOZAFXJDNM-GEEKYZPCSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@@H]1C[C@H](OC)CN1CC1(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859286 1068957169 /nfs/dbraw/zinc/95/71/69/1068957169.db2.gz UWCFSOZAFXJDNM-VGWMRTNUSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@@H]1C[C@H](OC)CN1CC1(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859286 1068957164 /nfs/dbraw/zinc/95/71/64/1068957164.db2.gz UWCFSOZAFXJDNM-VGWMRTNUSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CC1(CN2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859287 1068957387 /nfs/dbraw/zinc/95/73/87/1068957387.db2.gz UWCFSOZAFXJDNM-YHUYYLMFSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CC1(CN2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859287 1068957382 /nfs/dbraw/zinc/95/73/82/1068957382.db2.gz UWCFSOZAFXJDNM-YHUYYLMFSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@H](OC)CN1CC1(C[N@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859287 1068957378 /nfs/dbraw/zinc/95/73/78/1068957378.db2.gz UWCFSOZAFXJDNM-YHUYYLMFSA-N 1 2 400.472 -0.472 20 0 HBADLO COC(=O)[C@H]1C[C@H](OC)CN1CC1(C[N@@H+]2C[C@@H](OC)C[C@H]2C(=O)OC)COC1 ZINC000543859287 1068957372 /nfs/dbraw/zinc/95/73/72/1068957372.db2.gz UWCFSOZAFXJDNM-YHUYYLMFSA-N 1 2 400.472 -0.472 20 0 HBADLO COc1cccc(C(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000543880056 1069635585 /nfs/dbraw/zinc/63/55/85/1069635585.db2.gz DZFVTHPCDGMBBZ-INIZCTEOSA-N 1 2 404.467 -0.526 20 0 HBADLO COc1cccc(C(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000543880057 1069635514 /nfs/dbraw/zinc/63/55/14/1069635514.db2.gz DZFVTHPCDGMBBZ-MRXNPFEDSA-N 1 2 404.467 -0.526 20 0 HBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000543942738 1069557521 /nfs/dbraw/zinc/55/75/21/1069557521.db2.gz BHAFJHFDRKXPQE-UHFFFAOYSA-N 1 2 417.445 -0.164 20 0 HBADLO CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000543942738 1069557516 /nfs/dbraw/zinc/55/75/16/1069557516.db2.gz BHAFJHFDRKXPQE-UHFFFAOYSA-N 1 2 417.445 -0.164 20 0 HBADLO COCCNc1nc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)[nH+]c(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1 ZINC000544066906 1071986955 /nfs/dbraw/zinc/98/69/55/1071986955.db2.gz ZXJIZJKIGNMTIN-HAEOWDPNSA-N 1 2 404.515 -0.234 20 0 HBADLO O=C(NCCCn1ccnn1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000544139704 1071992139 /nfs/dbraw/zinc/99/21/39/1071992139.db2.gz IJXOSZPCAVVVCK-UHFFFAOYSA-N 1 2 422.515 -0.486 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000544230072 1072003652 /nfs/dbraw/zinc/00/36/52/1072003652.db2.gz PJPSAFDJODDBDM-UHFFFAOYSA-N 1 2 421.498 -0.191 20 0 HBADLO COc1c2cnn(C)c2ncc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000544236099 1072004311 /nfs/dbraw/zinc/00/43/11/1072004311.db2.gz FPJDJPWMIKQMQB-CYBMUJFWSA-N 1 2 402.455 -0.360 20 0 HBADLO COc1c2cnn(C)c2ncc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000544236109 1072004238 /nfs/dbraw/zinc/00/42/38/1072004238.db2.gz FPJDJPWMIKQMQB-ZDUSSCGKSA-N 1 2 402.455 -0.360 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000544292819 1072006390 /nfs/dbraw/zinc/00/63/90/1072006390.db2.gz MLMOFFNSIFEPPR-MSOLQXFVSA-N 1 2 405.499 -0.093 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000544292826 1072006358 /nfs/dbraw/zinc/00/63/58/1072006358.db2.gz MLMOFFNSIFEPPR-QZTJIDSGSA-N 1 2 405.499 -0.093 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000544292829 1072006059 /nfs/dbraw/zinc/00/60/59/1072006059.db2.gz MLMOFFNSIFEPPR-ROUUACIJSA-N 1 2 405.499 -0.093 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000544292831 1072006305 /nfs/dbraw/zinc/00/63/05/1072006305.db2.gz MLMOFFNSIFEPPR-ZWKOTPCHSA-N 1 2 405.499 -0.093 20 0 HBADLO CCOC(=O)c1ccc(N2CC(NC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)C2)nc1 ZINC000544294969 1072006340 /nfs/dbraw/zinc/00/63/40/1072006340.db2.gz PQKXKFSLWYMPKQ-KRWDZBQOSA-N 1 2 421.498 -0.219 20 0 HBADLO CCOC(=O)c1ccc(N2CC(NC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)C2)nc1 ZINC000544294970 1072006320 /nfs/dbraw/zinc/00/63/20/1072006320.db2.gz PQKXKFSLWYMPKQ-QGZVFWFLSA-N 1 2 421.498 -0.219 20 0 HBADLO O=C([C@@H]1CCCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000544344469 1070906876 /nfs/dbraw/zinc/90/68/76/1070906876.db2.gz KSRNCCKZDGCTSR-HNNXBMFYSA-N 1 2 409.512 -0.071 20 0 HBADLO O=C([C@@H]1CCCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000544344469 1070906863 /nfs/dbraw/zinc/90/68/63/1070906863.db2.gz KSRNCCKZDGCTSR-HNNXBMFYSA-N 1 2 409.512 -0.071 20 0 HBADLO O=C([C@H]1CCCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000544344474 1072007789 /nfs/dbraw/zinc/00/77/89/1072007789.db2.gz KSRNCCKZDGCTSR-OAHLLOKOSA-N 1 2 409.512 -0.071 20 0 HBADLO O=C([C@H]1CCCCS1(=O)=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000544344474 1072007779 /nfs/dbraw/zinc/00/77/79/1072007779.db2.gz KSRNCCKZDGCTSR-OAHLLOKOSA-N 1 2 409.512 -0.071 20 0 HBADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000544399110 1072009831 /nfs/dbraw/zinc/00/98/31/1072009831.db2.gz NBODIOGFMAEBHC-HUBLWGQQSA-N 1 2 418.541 -0.347 20 0 HBADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000544399110 1072009825 /nfs/dbraw/zinc/00/98/25/1072009825.db2.gz NBODIOGFMAEBHC-HUBLWGQQSA-N 1 2 418.541 -0.347 20 0 HBADLO NS(=O)(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000544399262 1072009673 /nfs/dbraw/zinc/00/96/73/1072009673.db2.gz LKGHSCNNQYOMJP-CYBMUJFWSA-N 1 2 400.526 -0.215 20 0 HBADLO NS(=O)(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000544399262 1072009666 /nfs/dbraw/zinc/00/96/66/1072009666.db2.gz LKGHSCNNQYOMJP-CYBMUJFWSA-N 1 2 400.526 -0.215 20 0 HBADLO NS(=O)(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000544399263 1072009968 /nfs/dbraw/zinc/00/99/68/1072009968.db2.gz LKGHSCNNQYOMJP-ZDUSSCGKSA-N 1 2 400.526 -0.215 20 0 HBADLO NS(=O)(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(C(=O)c3cccs3)CC2)C1 ZINC000544399263 1072009955 /nfs/dbraw/zinc/00/99/55/1072009955.db2.gz LKGHSCNNQYOMJP-ZDUSSCGKSA-N 1 2 400.526 -0.215 20 0 HBADLO C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000544399366 1072009558 /nfs/dbraw/zinc/00/95/58/1072009558.db2.gz NBODIOGFMAEBHC-SLEUVZQESA-N 1 2 418.541 -0.347 20 0 HBADLO C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000544399366 1072009551 /nfs/dbraw/zinc/00/95/51/1072009551.db2.gz NBODIOGFMAEBHC-SLEUVZQESA-N 1 2 418.541 -0.347 20 0 HBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544399370 1072009874 /nfs/dbraw/zinc/00/98/74/1072009874.db2.gz NBODIOGFMAEBHC-YWPYICTPSA-N 1 2 418.541 -0.347 20 0 HBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000544399370 1072009863 /nfs/dbraw/zinc/00/98/63/1072009863.db2.gz NBODIOGFMAEBHC-YWPYICTPSA-N 1 2 418.541 -0.347 20 0 HBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544399372 1072009592 /nfs/dbraw/zinc/00/95/92/1072009592.db2.gz NBODIOGFMAEBHC-ZOWXZIJZSA-N 1 2 418.541 -0.347 20 0 HBADLO C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000544399372 1072009582 /nfs/dbraw/zinc/00/95/82/1072009582.db2.gz NBODIOGFMAEBHC-ZOWXZIJZSA-N 1 2 418.541 -0.347 20 0 HBADLO CCN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000544436919 1072012914 /nfs/dbraw/zinc/01/29/14/1072012914.db2.gz CVNNOANFAQACOC-UHFFFAOYSA-N 1 2 424.527 -0.593 20 0 HBADLO Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000544493322 1072016201 /nfs/dbraw/zinc/01/62/01/1072016201.db2.gz HUKDWQHTPGUVFL-UHFFFAOYSA-N 1 2 400.439 -0.645 20 0 HBADLO O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000544497054 1072017370 /nfs/dbraw/zinc/01/73/70/1072017370.db2.gz DOWZSPOOBQGWQL-UHFFFAOYSA-N 1 2 410.496 -0.454 20 0 HBADLO NC(=O)C1CCN(c2ccccc2NC(=O)C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000544497460 1072017246 /nfs/dbraw/zinc/01/72/46/1072017246.db2.gz FPGFTCKJSAJWBQ-UHFFFAOYSA-N 1 2 403.483 -0.537 20 0 HBADLO O=C(Nc1ccccc1S(=O)(=O)N1CCCCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000544498411 1072017180 /nfs/dbraw/zinc/01/71/80/1072017180.db2.gz JVUPMYYUQLSTRA-UHFFFAOYSA-N 1 2 424.523 -0.064 20 0 HBADLO COCCNC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)cc1Cl ZINC000544498999 1072017344 /nfs/dbraw/zinc/01/73/44/1072017344.db2.gz CNMHYTJPLCGGQL-UHFFFAOYSA-N 1 2 412.874 -0.209 20 0 HBADLO O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000544500070 1072017703 /nfs/dbraw/zinc/01/77/03/1072017703.db2.gz UCFAWMGUXVRERL-UHFFFAOYSA-N 1 2 404.467 -0.330 20 0 HBADLO CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000544500112 1072017881 /nfs/dbraw/zinc/01/78/81/1072017881.db2.gz VRDLXKDTCXUHJH-UHFFFAOYSA-N 1 2 412.512 -0.160 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)Nc2cccc3c2CCN3C(=O)COC)CC1 ZINC000544525133 1072019580 /nfs/dbraw/zinc/01/95/80/1072019580.db2.gz XMLRICPBVHIQMZ-UHFFFAOYSA-N 1 2 404.467 -0.049 20 0 HBADLO CN(C)C(=O)COC1CN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)C1 ZINC000544590521 1072023732 /nfs/dbraw/zinc/02/37/32/1072023732.db2.gz HMFXUVXFIQNBHM-UHFFFAOYSA-N 1 2 404.471 -0.210 20 0 HBADLO COC(=O)Cn1cc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)nn1 ZINC000544590740 1072023948 /nfs/dbraw/zinc/02/39/48/1072023948.db2.gz MVBCJKIZVVUVBH-UHFFFAOYSA-N 1 2 416.442 -0.445 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCN(C(C)(C)C(N)=O)CC3)ccn2)CC1 ZINC000544591036 1072023988 /nfs/dbraw/zinc/02/39/88/1072023988.db2.gz RELNSKLVPPLALM-UHFFFAOYSA-N 1 2 417.514 -0.117 20 0 HBADLO C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCNC(=O)c3cnccn3)ccn2)CC1 ZINC000544591423 1072023920 /nfs/dbraw/zinc/02/39/20/1072023920.db2.gz ALVXWOJIFSLJRR-UHFFFAOYSA-N 1 2 412.454 -0.189 20 0 HBADLO C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000544591765 1072023886 /nfs/dbraw/zinc/02/38/86/1072023886.db2.gz LWOCSRXVWAKSKJ-AWEZNQCLSA-N 1 2 404.471 -0.474 20 0 HBADLO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000544591766 1072024026 /nfs/dbraw/zinc/02/40/26/1072024026.db2.gz LWOCSRXVWAKSKJ-CQSZACIVSA-N 1 2 404.471 -0.474 20 0 HBADLO CN(CCS(=O)(=O)N1CC[NH+](CCCO)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000544667703 1072027110 /nfs/dbraw/zinc/02/71/10/1072027110.db2.gz SFHYZUGBJDYKHO-UHFFFAOYSA-N 1 2 423.532 -0.224 20 0 HBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@]12CCCO2 ZINC000544753147 1069632552 /nfs/dbraw/zinc/63/25/52/1069632552.db2.gz REJUSVCPUWXUHN-JXXFODFXSA-N 1 2 421.498 -0.003 20 0 HBADLO CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@]12CCCO2 ZINC000544753151 1069632666 /nfs/dbraw/zinc/63/26/66/1069632666.db2.gz REJUSVCPUWXUHN-QINHECLXSA-N 1 2 421.498 -0.003 20 0 HBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@]12CCCO2 ZINC000544753153 1069633274 /nfs/dbraw/zinc/63/32/74/1069633274.db2.gz REJUSVCPUWXUHN-RZQQEMMASA-N 1 2 421.498 -0.003 20 0 HBADLO CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@]12CCCO2 ZINC000544753156 1069633528 /nfs/dbraw/zinc/63/35/28/1069633528.db2.gz REJUSVCPUWXUHN-YRNRMSPPSA-N 1 2 421.498 -0.003 20 0 HBADLO CCNS(=O)(=O)c1ccc(CC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000544758731 1072032897 /nfs/dbraw/zinc/03/28/97/1072032897.db2.gz VCQLFNDYPFMNLF-UHFFFAOYSA-N 1 2 406.512 -0.037 20 0 HBADLO COCCN(C(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000544760634 1072032722 /nfs/dbraw/zinc/03/27/22/1072032722.db2.gz CBVOYCPPYQUHHB-INIZCTEOSA-N 1 2 411.528 -0.431 20 0 HBADLO COCCN(C(=O)CN1CCN(c2cc[nH+]c(C)n2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000544760637 1072032841 /nfs/dbraw/zinc/03/28/41/1072032841.db2.gz CBVOYCPPYQUHHB-MRXNPFEDSA-N 1 2 411.528 -0.431 20 0 HBADLO Cc1nnc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000544764305 1072033330 /nfs/dbraw/zinc/03/33/30/1072033330.db2.gz BAWFASXLPYJNMX-GFCCVEGCSA-N 1 2 417.561 -0.273 20 0 HBADLO Cc1nnc([C@H](C)NC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000544764308 1072033292 /nfs/dbraw/zinc/03/32/92/1072033292.db2.gz BAWFASXLPYJNMX-LBPRGKRZSA-N 1 2 417.561 -0.273 20 0 HBADLO Cc1nc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc[nH+]1 ZINC000544766303 1072033966 /nfs/dbraw/zinc/03/39/66/1072033966.db2.gz ORACBNXUCFRAHW-CABCVRRESA-N 1 2 407.496 -0.531 20 0 HBADLO Cc1nc(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CC2)cc[nH+]1 ZINC000544766305 1072033825 /nfs/dbraw/zinc/03/38/25/1072033825.db2.gz ORACBNXUCFRAHW-GJZGRUSLSA-N 1 2 407.496 -0.531 20 0 HBADLO Cc1nc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc[nH+]1 ZINC000544766306 1072033716 /nfs/dbraw/zinc/03/37/16/1072033716.db2.gz ORACBNXUCFRAHW-HUUCEWRRSA-N 1 2 407.496 -0.531 20 0 HBADLO Cc1nc(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CC2)cc[nH+]1 ZINC000544766307 1072033898 /nfs/dbraw/zinc/03/38/98/1072033898.db2.gz ORACBNXUCFRAHW-LSDHHAIUSA-N 1 2 407.496 -0.531 20 0 HBADLO Cc1nc(N2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc[nH+]1 ZINC000544766985 1072033807 /nfs/dbraw/zinc/03/38/07/1072033807.db2.gz DDSVDDKIILIUJW-UHFFFAOYSA-N 1 2 412.454 -0.729 20 0 HBADLO O=C(CCNC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000544803878 1072036639 /nfs/dbraw/zinc/03/66/39/1072036639.db2.gz ADERIKJQIUFZHH-AWEZNQCLSA-N 1 2 415.454 -0.934 20 0 HBADLO O=C(CCNC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000544803879 1072036563 /nfs/dbraw/zinc/03/65/63/1072036563.db2.gz ADERIKJQIUFZHH-CQSZACIVSA-N 1 2 415.454 -0.934 20 0 HBADLO COc1ccccc1C(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000544825794 1072037746 /nfs/dbraw/zinc/03/77/46/1072037746.db2.gz OHLVREWHDPAFCI-UHFFFAOYSA-N 1 2 410.496 -0.486 20 0 HBADLO O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)C(=O)N1CC[NH+](CCO)CC1 ZINC000544862461 1072040703 /nfs/dbraw/zinc/04/07/03/1072040703.db2.gz RTVJFVICGRYHMJ-UHFFFAOYSA-N 1 2 402.451 -0.199 20 0 HBADLO Cn1cc(-n2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc2=O)cn1 ZINC000544873476 1072041845 /nfs/dbraw/zinc/04/18/45/1072041845.db2.gz VWUUSSFICYLXFT-INIZCTEOSA-N 1 2 414.466 -0.766 20 0 HBADLO Cn1cc(-n2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc2=O)cn1 ZINC000544873477 1072041769 /nfs/dbraw/zinc/04/17/69/1072041769.db2.gz VWUUSSFICYLXFT-MRXNPFEDSA-N 1 2 414.466 -0.766 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)S(C)(=O)=O ZINC000544878741 1072042444 /nfs/dbraw/zinc/04/24/44/1072042444.db2.gz VYUUHCUYTWIFNV-HNNXBMFYSA-N 1 2 403.549 -0.301 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)S(C)(=O)=O ZINC000544878741 1072042436 /nfs/dbraw/zinc/04/24/36/1072042436.db2.gz VYUUHCUYTWIFNV-HNNXBMFYSA-N 1 2 403.549 -0.301 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)S(C)(=O)=O ZINC000544878742 1072042612 /nfs/dbraw/zinc/04/26/12/1072042612.db2.gz VYUUHCUYTWIFNV-OAHLLOKOSA-N 1 2 403.549 -0.301 20 0 HBADLO CC(C)N(CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)S(C)(=O)=O ZINC000544878742 1072042605 /nfs/dbraw/zinc/04/26/05/1072042605.db2.gz VYUUHCUYTWIFNV-OAHLLOKOSA-N 1 2 403.549 -0.301 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000544881408 1072042514 /nfs/dbraw/zinc/04/25/14/1072042514.db2.gz HKRADIQJVYAENZ-AWEZNQCLSA-N 1 2 407.496 -0.241 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000544881408 1072042508 /nfs/dbraw/zinc/04/25/08/1072042508.db2.gz HKRADIQJVYAENZ-AWEZNQCLSA-N 1 2 407.496 -0.241 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000544881416 1072042578 /nfs/dbraw/zinc/04/25/78/1072042578.db2.gz HKRADIQJVYAENZ-CQSZACIVSA-N 1 2 407.496 -0.241 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000544881416 1072042555 /nfs/dbraw/zinc/04/25/55/1072042555.db2.gz HKRADIQJVYAENZ-CQSZACIVSA-N 1 2 407.496 -0.241 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000544881457 1072042408 /nfs/dbraw/zinc/04/24/08/1072042408.db2.gz JGIBPGYTTRATDD-HNNXBMFYSA-N 1 2 409.512 -0.471 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000544881457 1072042399 /nfs/dbraw/zinc/04/23/99/1072042399.db2.gz JGIBPGYTTRATDD-HNNXBMFYSA-N 1 2 409.512 -0.471 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000544881458 1072042310 /nfs/dbraw/zinc/04/23/10/1072042310.db2.gz JGIBPGYTTRATDD-OAHLLOKOSA-N 1 2 409.512 -0.471 20 0 HBADLO NS(=O)(=O)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000544881458 1072042305 /nfs/dbraw/zinc/04/23/05/1072042305.db2.gz JGIBPGYTTRATDD-OAHLLOKOSA-N 1 2 409.512 -0.471 20 0 HBADLO CNC(=O)[C@@H](NC(=O)C[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1)c1ccccc1 ZINC000544895335 1072043145 /nfs/dbraw/zinc/04/31/45/1072043145.db2.gz SXRHUSZZFYILLK-YOEHRIQHSA-N 1 2 400.439 -0.085 20 0 HBADLO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1)c1ccccc1 ZINC000544895335 1072043140 /nfs/dbraw/zinc/04/31/40/1072043140.db2.gz SXRHUSZZFYILLK-YOEHRIQHSA-N 1 2 400.439 -0.085 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)C2)nn1 ZINC000544898667 1072043082 /nfs/dbraw/zinc/04/30/82/1072043082.db2.gz UOYDMXFFHXUNJB-LLVKDONJSA-N 1 2 419.442 -0.305 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)C2)nn1 ZINC000544898667 1072043080 /nfs/dbraw/zinc/04/30/80/1072043080.db2.gz UOYDMXFFHXUNJB-LLVKDONJSA-N 1 2 419.442 -0.305 20 0 HBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)C2)nn1 ZINC000544898675 1072042937 /nfs/dbraw/zinc/04/29/37/1072042937.db2.gz UOYDMXFFHXUNJB-NSHDSACASA-N 1 2 419.442 -0.305 20 0 HBADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)C2)nn1 ZINC000544898675 1072042930 /nfs/dbraw/zinc/04/29/30/1072042930.db2.gz UOYDMXFFHXUNJB-NSHDSACASA-N 1 2 419.442 -0.305 20 0 HBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)C2)nn1 ZINC000544899669 1072043210 /nfs/dbraw/zinc/04/32/10/1072043210.db2.gz WYOFFQXHVHRUHQ-JTQLQIEISA-N 1 2 403.399 -0.626 20 0 HBADLO COC(=O)c1cn([C@H]2CC[N@H+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)C2)nn1 ZINC000544899669 1072043204 /nfs/dbraw/zinc/04/32/04/1072043204.db2.gz WYOFFQXHVHRUHQ-JTQLQIEISA-N 1 2 403.399 -0.626 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)C2)nn1 ZINC000544899670 1072043240 /nfs/dbraw/zinc/04/32/40/1072043240.db2.gz WYOFFQXHVHRUHQ-SNVBAGLBSA-N 1 2 403.399 -0.626 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)C2)nn1 ZINC000544899670 1072043231 /nfs/dbraw/zinc/04/32/31/1072043231.db2.gz WYOFFQXHVHRUHQ-SNVBAGLBSA-N 1 2 403.399 -0.626 20 0 HBADLO COc1cc(CNS(=O)(=O)CCC[NH+]2CCOCC2)ccc1OCC(N)=O ZINC000545206461 1072065050 /nfs/dbraw/zinc/06/50/50/1072065050.db2.gz FMXQBXYSWGYYTJ-UHFFFAOYSA-N 1 2 401.485 -0.299 20 0 HBADLO CC(C)OC[C@@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000545327079 1072075842 /nfs/dbraw/zinc/07/58/42/1072075842.db2.gz CJLZJBBQBOYTCB-KRWDZBQOSA-N 1 2 409.487 -0.194 20 0 HBADLO CC(C)OC[C@H]1CN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCO1 ZINC000545327080 1072075815 /nfs/dbraw/zinc/07/58/15/1072075815.db2.gz CJLZJBBQBOYTCB-QGZVFWFLSA-N 1 2 409.487 -0.194 20 0 HBADLO COC(=O)c1coc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000545374794 1072079227 /nfs/dbraw/zinc/07/92/27/1072079227.db2.gz RZYDAJYFMAMVGM-UHFFFAOYSA-N 1 2 400.457 -0.684 20 0 HBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c2ccccc2O1 ZINC000545394083 1072080026 /nfs/dbraw/zinc/08/00/26/1072080026.db2.gz VXMXQTDMIZQXMZ-KRWDZBQOSA-N 1 2 424.461 -0.026 20 0 HBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)c2ccccc2O1 ZINC000545394084 1072080014 /nfs/dbraw/zinc/08/00/14/1072080014.db2.gz VXMXQTDMIZQXMZ-QGZVFWFLSA-N 1 2 424.461 -0.026 20 0 HBADLO COC(=O)c1cn(C2CC[NH+](CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)nn1 ZINC000545397814 1069048214 /nfs/dbraw/zinc/04/82/14/1069048214.db2.gz PPSQLWYSDXIQDI-UHFFFAOYSA-N 1 2 422.467 -0.012 20 0 HBADLO COC(=O)c1cn(C2CC[NH+](CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nn1 ZINC000545398628 1072080451 /nfs/dbraw/zinc/08/04/51/1072080451.db2.gz VSOHLRMSXONDQT-UHFFFAOYSA-N 1 2 422.467 -0.012 20 0 HBADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545406082 1072080905 /nfs/dbraw/zinc/08/09/05/1072080905.db2.gz SMPYBHOXYATDGI-DLBZAZTESA-N 1 2 401.467 -0.125 20 0 HBADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000545406083 1072080731 /nfs/dbraw/zinc/08/07/31/1072080731.db2.gz SMPYBHOXYATDGI-IAGOWNOFSA-N 1 2 401.467 -0.125 20 0 HBADLO O=C(N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545406084 1072080750 /nfs/dbraw/zinc/08/07/50/1072080750.db2.gz SMPYBHOXYATDGI-IRXDYDNUSA-N 1 2 401.467 -0.125 20 0 HBADLO O=C(N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000545406085 1072080874 /nfs/dbraw/zinc/08/08/74/1072080874.db2.gz SMPYBHOXYATDGI-SJORKVTESA-N 1 2 401.467 -0.125 20 0 HBADLO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000545411419 1069056626 /nfs/dbraw/zinc/05/66/26/1069056626.db2.gz MKJBHBAQAQXPPE-UHFFFAOYSA-N 1 2 403.487 -0.303 20 0 HBADLO Cc1nc(N2CCN(C(=O)NCCNS(=O)(=O)Cc3ccon3)CC2)cc[nH+]1 ZINC000545437874 1072084879 /nfs/dbraw/zinc/08/48/79/1072084879.db2.gz IDLMSOJBBJUHEC-UHFFFAOYSA-N 1 2 409.472 -0.276 20 0 HBADLO Nc1nc(=NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc2[nH][nH]cc1-2 ZINC000545484013 1072089110 /nfs/dbraw/zinc/08/91/10/1072089110.db2.gz ZSWRFXBSZNTVAG-UHFFFAOYSA-N 1 2 403.472 -0.733 20 0 HBADLO CCc1nncn1CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000545967325 1072115070 /nfs/dbraw/zinc/11/50/70/1072115070.db2.gz RQVQVJHDWNYHPJ-UHFFFAOYSA-N 1 2 415.502 -0.001 20 0 HBADLO CCc1nncn1CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000545967325 1072115067 /nfs/dbraw/zinc/11/50/67/1072115067.db2.gz RQVQVJHDWNYHPJ-UHFFFAOYSA-N 1 2 415.502 -0.001 20 0 HBADLO CCS(=O)(=O)N1CCC(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000546039288 1072118817 /nfs/dbraw/zinc/11/88/17/1072118817.db2.gz FRMQKHMNWIICGV-INIZCTEOSA-N 1 2 406.549 -0.617 20 0 HBADLO CCS(=O)(=O)N1CCC(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000546039293 1072118950 /nfs/dbraw/zinc/11/89/50/1072118950.db2.gz FRMQKHMNWIICGV-MRXNPFEDSA-N 1 2 406.549 -0.617 20 0 HBADLO Cc1nc(N2CCN(C(=O)C(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc[nH+]1 ZINC000546097628 1072122440 /nfs/dbraw/zinc/12/24/40/1072122440.db2.gz SWHMCQNRYJBCMR-UHFFFAOYSA-N 1 2 404.452 -0.280 20 0 HBADLO CCCn1c(N)c(C(=O)C[NH+]2CCC(n3cc(C(=O)OC)nn3)CC2)c(=O)[nH]c1=O ZINC000546103281 1072123060 /nfs/dbraw/zinc/12/30/60/1072123060.db2.gz LNAURDJSEDWOOM-UHFFFAOYSA-N 1 2 419.442 -0.161 20 0 HBADLO COC(=O)c1cn(C2CC[NH+](CC(=O)c3c(N)n(C4CC4)c(=O)[nH]c3=O)CC2)nn1 ZINC000546104392 1072123015 /nfs/dbraw/zinc/12/30/15/1072123015.db2.gz KHVHEMWRPPZJDJ-UHFFFAOYSA-N 1 2 417.426 -0.236 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000546113647 1072123919 /nfs/dbraw/zinc/12/39/19/1072123919.db2.gz DAMJXVBWGSTUEE-HNNXBMFYSA-N 1 2 406.462 -0.555 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000546113651 1072123905 /nfs/dbraw/zinc/12/39/05/1072123905.db2.gz DAMJXVBWGSTUEE-OAHLLOKOSA-N 1 2 406.462 -0.555 20 0 HBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000546142344 1072124796 /nfs/dbraw/zinc/12/47/96/1072124796.db2.gz GRHUTUKITDGJDE-INIZCTEOSA-N 1 2 417.466 -0.157 20 0 HBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000546142345 1072124863 /nfs/dbraw/zinc/12/48/63/1072124863.db2.gz GRHUTUKITDGJDE-MRXNPFEDSA-N 1 2 417.466 -0.157 20 0 HBADLO CN(C)c1ncncc1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000546196152 1072129006 /nfs/dbraw/zinc/12/90/06/1072129006.db2.gz JAEYNXRZVSAWAK-UHFFFAOYSA-N 1 2 403.487 -0.362 20 0 HBADLO CN(C)c1ncncc1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000546196152 1072129004 /nfs/dbraw/zinc/12/90/04/1072129004.db2.gz JAEYNXRZVSAWAK-UHFFFAOYSA-N 1 2 403.487 -0.362 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000546196374 1072128995 /nfs/dbraw/zinc/12/89/95/1072128995.db2.gz RQPOTJBEEGWWGM-UHFFFAOYSA-N 1 2 405.503 -0.116 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cncnc2N(C)C)CC1 ZINC000546196374 1072128993 /nfs/dbraw/zinc/12/89/93/1072128993.db2.gz RQPOTJBEEGWWGM-UHFFFAOYSA-N 1 2 405.503 -0.116 20 0 HBADLO COC(=O)c1cn([C@@H]2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)nn1 ZINC000546218732 1070466187 /nfs/dbraw/zinc/46/61/87/1070466187.db2.gz RQXUOZYSJQZSOU-CQSZACIVSA-N 1 2 418.458 0.072 20 0 HBADLO CC(C)OC[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000546740780 1069569893 /nfs/dbraw/zinc/56/98/93/1069569893.db2.gz RHZMTFTYBZXXCM-INIZCTEOSA-N 1 2 409.487 -0.194 20 0 HBADLO CC(C)OC[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CCO1 ZINC000546740787 1069569972 /nfs/dbraw/zinc/56/99/72/1069569972.db2.gz RHZMTFTYBZXXCM-MRXNPFEDSA-N 1 2 409.487 -0.194 20 0 HBADLO CNc1nnc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000546799247 1069575910 /nfs/dbraw/zinc/57/59/10/1069575910.db2.gz KFUPQFQQVPAYRR-ZDUSSCGKSA-N 1 2 418.527 0.534 20 0 HBADLO CNc1nnc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)s1 ZINC000546799247 1069575905 /nfs/dbraw/zinc/57/59/05/1069575905.db2.gz KFUPQFQQVPAYRR-ZDUSSCGKSA-N 1 2 418.527 0.534 20 0 HBADLO CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000546806220 1069628181 /nfs/dbraw/zinc/62/81/81/1069628181.db2.gz MYRMYEOMJNOPPJ-UHFFFAOYSA-N 1 2 401.427 -0.017 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C)C(=O)C3)c2)CC1 ZINC000547757781 1068274929 /nfs/dbraw/zinc/27/49/29/1068274929.db2.gz TWLARKKUXZWRGZ-UHFFFAOYSA-N 1 2 401.467 -0.410 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)N2CCN(C)C(=O)C2)CC1 ZINC000547758434 1068274844 /nfs/dbraw/zinc/27/48/44/1068274844.db2.gz MZLJWFZEOOQKMY-UHFFFAOYSA-N 1 2 401.467 -0.410 20 0 HBADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000547768717 1068283285 /nfs/dbraw/zinc/28/32/85/1068283285.db2.gz HXAUSOFXNRDTAN-UHFFFAOYSA-N 1 2 404.514 -0.221 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC[N@H+]1CCO ZINC000547976810 1068344059 /nfs/dbraw/zinc/34/40/59/1068344059.db2.gz NBGUMGGDDNVASB-CYBMUJFWSA-N 1 2 403.439 -0.452 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC[N@@H+]1CCO ZINC000547976810 1068344039 /nfs/dbraw/zinc/34/40/39/1068344039.db2.gz NBGUMGGDDNVASB-CYBMUJFWSA-N 1 2 403.439 -0.452 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC[N@H+]1CCO ZINC000547976811 1068344247 /nfs/dbraw/zinc/34/42/47/1068344247.db2.gz NBGUMGGDDNVASB-ZDUSSCGKSA-N 1 2 403.439 -0.452 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC[N@@H+]1CCO ZINC000547976811 1068344231 /nfs/dbraw/zinc/34/42/31/1068344231.db2.gz NBGUMGGDDNVASB-ZDUSSCGKSA-N 1 2 403.439 -0.452 20 0 HBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000548046176 1068369962 /nfs/dbraw/zinc/36/99/62/1068369962.db2.gz SUWJTADWJYWNHC-LXZKKBNFSA-N 1 2 415.487 -0.214 20 0 HBADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000548046176 1068369946 /nfs/dbraw/zinc/36/99/46/1068369946.db2.gz SUWJTADWJYWNHC-LXZKKBNFSA-N 1 2 415.487 -0.214 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000548046177 1068369598 /nfs/dbraw/zinc/36/95/98/1068369598.db2.gz SUWJTADWJYWNHC-UNEWFSDZSA-N 1 2 415.487 -0.214 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCO1 ZINC000548046177 1068369594 /nfs/dbraw/zinc/36/95/94/1068369594.db2.gz SUWJTADWJYWNHC-UNEWFSDZSA-N 1 2 415.487 -0.214 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)N[C@H](C)C(=O)N(C)C)c2)CC1 ZINC000548085322 1068393278 /nfs/dbraw/zinc/39/32/78/1068393278.db2.gz IHVQFVZRLXJWDT-CQSZACIVSA-N 1 2 403.483 -0.118 20 0 HBADLO CS(=O)(=O)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000548099423 1068403827 /nfs/dbraw/zinc/40/38/27/1068403827.db2.gz YPKAZYBRGRFQEI-AWEZNQCLSA-N 1 2 409.512 -0.025 20 0 HBADLO CS(=O)(=O)C1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC000548099423 1068403818 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VVALMPRLNWFIPE-ZDUSSCGKSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000548303997 1068536928 /nfs/dbraw/zinc/53/69/28/1068536928.db2.gz HNSJEJGCYSAWEA-HNNXBMFYSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC[N@H+]1CCO ZINC000548304380 1068536886 /nfs/dbraw/zinc/53/68/86/1068536886.db2.gz RZFFJBLXOZWCIL-CYBMUJFWSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1CCO ZINC000548304380 1068536874 /nfs/dbraw/zinc/53/68/74/1068536874.db2.gz RZFFJBLXOZWCIL-CYBMUJFWSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC[N@H+]1CCO ZINC000548304381 1068537106 /nfs/dbraw/zinc/53/71/06/1068537106.db2.gz RZFFJBLXOZWCIL-ZDUSSCGKSA-N 1 2 410.496 -0.409 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC[N@@H+]1CCO ZINC000548304381 1068537090 /nfs/dbraw/zinc/53/70/90/1068537090.db2.gz RZFFJBLXOZWCIL-ZDUSSCGKSA-N 1 2 410.496 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CCc1ncnc(CC)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000549722156 1069359778 /nfs/dbraw/zinc/35/97/78/1069359778.db2.gz AUVFFVRYLVVUSZ-UHFFFAOYSA-N 1 2 410.544 -0.149 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000549750262 1069364674 /nfs/dbraw/zinc/36/46/74/1069364674.db2.gz YZYWRYZNZJYFHN-UHFFFAOYSA-N 1 2 418.466 -0.087 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000549750262 1069364661 /nfs/dbraw/zinc/36/46/61/1069364661.db2.gz YZYWRYZNZJYFHN-UHFFFAOYSA-N 1 2 418.466 -0.087 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549752220 1069365048 /nfs/dbraw/zinc/36/50/48/1069365048.db2.gz DOWWAYUOIUIEPN-CVEARBPZSA-N 1 2 404.471 -0.577 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549752221 1069365297 /nfs/dbraw/zinc/36/52/97/1069365297.db2.gz DOWWAYUOIUIEPN-HOTGVXAUSA-N 1 2 404.471 -0.577 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000549752222 1069365344 /nfs/dbraw/zinc/36/53/44/1069365344.db2.gz DOWWAYUOIUIEPN-HZPDHXFCSA-N 1 2 404.471 -0.577 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000549752223 1069365237 /nfs/dbraw/zinc/36/52/37/1069365237.db2.gz DOWWAYUOIUIEPN-JKSUJKDBSA-N 1 2 404.471 -0.577 20 0 HBADLO Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1C1CC1 ZINC000549759250 1069366508 /nfs/dbraw/zinc/36/65/08/1069366508.db2.gz JYYYVFDGSOGIPB-UHFFFAOYSA-N 1 2 423.539 -0.258 20 0 HBADLO C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549786552 1069371455 /nfs/dbraw/zinc/37/14/55/1069371455.db2.gz OVKGLWRTJXPMOQ-HKUYNNGSSA-N 1 2 404.511 -0.077 20 0 HBADLO C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549786558 1069371435 /nfs/dbraw/zinc/37/14/35/1069371435.db2.gz OVKGLWRTJXPMOQ-IEBWSBKVSA-N 1 2 404.511 -0.077 20 0 HBADLO C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549786559 1069371364 /nfs/dbraw/zinc/37/13/64/1069371364.db2.gz OVKGLWRTJXPMOQ-MJGOQNOKSA-N 1 2 404.511 -0.077 20 0 HBADLO C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000549786560 1069371474 /nfs/dbraw/zinc/37/14/74/1069371474.db2.gz OVKGLWRTJXPMOQ-PKOBYXMFSA-N 1 2 404.511 -0.077 20 0 HBADLO O=C(NCc1ccncc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000549788607 1069371826 /nfs/dbraw/zinc/37/18/26/1069371826.db2.gz LOENNQULYYAUTB-UHFFFAOYSA-N 1 2 411.466 -0.327 20 0 HBADLO O=C(NCc1ccncc1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000549788607 1069371809 /nfs/dbraw/zinc/37/18/09/1069371809.db2.gz LOENNQULYYAUTB-UHFFFAOYSA-N 1 2 411.466 -0.327 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2nnc3ccccn32)CC1 ZINC000549790830 1069372514 /nfs/dbraw/zinc/37/25/14/1069372514.db2.gz IURITOLXVVUXKB-UHFFFAOYSA-N 1 2 420.437 -0.629 20 0 HBADLO O=C(CCNC(=O)C(=O)N1CCC[C@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000549791061 1069372582 /nfs/dbraw/zinc/37/25/82/1069372582.db2.gz PLUIMKXXWHOUQA-INIZCTEOSA-N 1 2 403.483 -0.533 20 0 HBADLO O=C(CCNC(=O)C(=O)N1CCC[C@@H](CO)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000549791062 1069372496 /nfs/dbraw/zinc/37/24/96/1069372496.db2.gz PLUIMKXXWHOUQA-MRXNPFEDSA-N 1 2 403.483 -0.533 20 0 HBADLO O=C(CN1CCN(C(=O)C(=O)NCCCn2cc[nH+]c2)CC1)NCc1ccccc1 ZINC000549920705 1069481978 /nfs/dbraw/zinc/48/19/78/1069481978.db2.gz WBISCOHLRAIUSD-UHFFFAOYSA-N 1 2 412.494 -0.150 20 0 HBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000549947789 1069555346 /nfs/dbraw/zinc/55/53/46/1069555346.db2.gz BKVYNKPRMBBAFE-INIZCTEOSA-N 1 2 424.509 -0.170 20 0 HBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000549947794 1069555151 /nfs/dbraw/zinc/55/51/51/1069555151.db2.gz BKVYNKPRMBBAFE-MRXNPFEDSA-N 1 2 424.509 -0.170 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550000984 1070138959 /nfs/dbraw/zinc/13/89/59/1070138959.db2.gz MZAVGINUDWNXGS-HKUYNNGSSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550000984 1070138953 /nfs/dbraw/zinc/13/89/53/1070138953.db2.gz MZAVGINUDWNXGS-HKUYNNGSSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550000985 1070141412 /nfs/dbraw/zinc/14/14/12/1070141412.db2.gz MZAVGINUDWNXGS-IEBWSBKVSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550000985 1070141404 /nfs/dbraw/zinc/14/14/04/1070141404.db2.gz MZAVGINUDWNXGS-IEBWSBKVSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550000986 1070141513 /nfs/dbraw/zinc/14/15/13/1070141513.db2.gz MZAVGINUDWNXGS-MJGOQNOKSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550000986 1070141505 /nfs/dbraw/zinc/14/15/05/1070141505.db2.gz MZAVGINUDWNXGS-MJGOQNOKSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000550000987 1070141328 /nfs/dbraw/zinc/14/13/28/1070141328.db2.gz MZAVGINUDWNXGS-PKOBYXMFSA-N 1 2 404.511 -0.160 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000550000987 1070141326 /nfs/dbraw/zinc/14/13/26/1070141326.db2.gz MZAVGINUDWNXGS-PKOBYXMFSA-N 1 2 404.511 -0.160 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000550004057 1070159601 /nfs/dbraw/zinc/15/96/01/1070159601.db2.gz SNKUUMDDHZLQGL-DYESRHJHSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550004057 1070159578 /nfs/dbraw/zinc/15/95/78/1070159578.db2.gz SNKUUMDDHZLQGL-DYESRHJHSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000550004058 1070159384 /nfs/dbraw/zinc/15/93/84/1070159384.db2.gz SNKUUMDDHZLQGL-LAUBAEHRSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550004058 1070159377 /nfs/dbraw/zinc/15/93/77/1070159377.db2.gz SNKUUMDDHZLQGL-LAUBAEHRSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000550004059 1070159544 /nfs/dbraw/zinc/15/95/44/1070159544.db2.gz SNKUUMDDHZLQGL-UTKZUKDTSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550004059 1070159539 /nfs/dbraw/zinc/15/95/39/1070159539.db2.gz SNKUUMDDHZLQGL-UTKZUKDTSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000550004060 1070159407 /nfs/dbraw/zinc/15/94/07/1070159407.db2.gz SNKUUMDDHZLQGL-UWJYYQICSA-N 1 2 402.495 -0.012 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000550004060 1070159403 /nfs/dbraw/zinc/15/94/03/1070159403.db2.gz SNKUUMDDHZLQGL-UWJYYQICSA-N 1 2 402.495 -0.012 20 0 HBADLO O=C(NCCc1ccco1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550062703 1070379269 /nfs/dbraw/zinc/37/92/69/1070379269.db2.gz XMPKZCDJNWEMJA-UHFFFAOYSA-N 1 2 414.466 -0.086 20 0 HBADLO O=C(NCCc1ccco1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550062703 1070379253 /nfs/dbraw/zinc/37/92/53/1070379253.db2.gz XMPKZCDJNWEMJA-UHFFFAOYSA-N 1 2 414.466 -0.086 20 0 HBADLO Cc1ccccc1CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550077662 1070382003 /nfs/dbraw/zinc/38/20/03/1070382003.db2.gz XFTDKQBGVRZRPQ-UHFFFAOYSA-N 1 2 423.539 -0.752 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CC(=O)NCC2CC2)CC3)CC1 ZINC000550079598 1070381568 /nfs/dbraw/zinc/38/15/68/1070381568.db2.gz NFOUEDGAVTYFBE-INIZCTEOSA-N 1 2 416.526 -0.134 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CC(=O)NCC2CC2)CC3)CC1 ZINC000550079601 1070381707 /nfs/dbraw/zinc/38/17/07/1070381707.db2.gz NFOUEDGAVTYFBE-MRXNPFEDSA-N 1 2 416.526 -0.134 20 0 HBADLO Cn1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1=O ZINC000550080584 1070381645 /nfs/dbraw/zinc/38/16/45/1070381645.db2.gz VINIPIPVEJSGTC-HNNXBMFYSA-N 1 2 412.494 -0.038 20 0 HBADLO Cn1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)cc1=O ZINC000550080606 1070381930 /nfs/dbraw/zinc/38/19/30/1070381930.db2.gz VINIPIPVEJSGTC-OAHLLOKOSA-N 1 2 412.494 -0.038 20 0 HBADLO C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC000550082510 1070381606 /nfs/dbraw/zinc/38/16/06/1070381606.db2.gz JWHACJMBPHJUQY-DLBZAZTESA-N 1 2 404.515 -0.162 20 0 HBADLO C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC000550082511 1070381963 /nfs/dbraw/zinc/38/19/63/1070381963.db2.gz JWHACJMBPHJUQY-IAGOWNOFSA-N 1 2 404.515 -0.162 20 0 HBADLO C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC000550082512 1070382805 /nfs/dbraw/zinc/38/28/05/1070382805.db2.gz JWHACJMBPHJUQY-IRXDYDNUSA-N 1 2 404.515 -0.162 20 0 HBADLO C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)C1 ZINC000550082513 1070382314 /nfs/dbraw/zinc/38/23/14/1070382314.db2.gz JWHACJMBPHJUQY-SJORKVTESA-N 1 2 404.515 -0.162 20 0 HBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 ZINC000550083542 1070382486 /nfs/dbraw/zinc/38/24/86/1070382486.db2.gz KEFQBWQKJCNYTA-UHFFFAOYSA-N 1 2 405.480 -0.031 20 0 HBADLO C[C@H]1COCCN1CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550083593 1070382351 /nfs/dbraw/zinc/38/23/51/1070382351.db2.gz MWVWTZRHUJMNTD-KRWDZBQOSA-N 1 2 404.511 -0.028 20 0 HBADLO C[C@@H]1COCCN1CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000550083594 1070382383 /nfs/dbraw/zinc/38/23/83/1070382383.db2.gz MWVWTZRHUJMNTD-QGZVFWFLSA-N 1 2 404.511 -0.028 20 0 HBADLO O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000550087317 1070382738 /nfs/dbraw/zinc/38/27/38/1070382738.db2.gz KZEADTKABKPJMJ-UHFFFAOYSA-N 1 2 403.414 -0.112 20 0 HBADLO CN1C[C@@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000550087555 1070382561 /nfs/dbraw/zinc/38/25/61/1070382561.db2.gz ZAPFNNOOBCWKLO-CABCVRRESA-N 1 2 402.499 -0.572 20 0 HBADLO CN1C[C@@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000550087556 1070382159 /nfs/dbraw/zinc/38/21/59/1070382159.db2.gz ZAPFNNOOBCWKLO-GJZGRUSLSA-N 1 2 402.499 -0.572 20 0 HBADLO CN1C[C@H](C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000550087557 1070382595 /nfs/dbraw/zinc/38/25/95/1070382595.db2.gz ZAPFNNOOBCWKLO-HUUCEWRRSA-N 1 2 402.499 -0.572 20 0 HBADLO CN1C[C@H](C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CC1=O ZINC000550087558 1070382243 /nfs/dbraw/zinc/38/22/43/1070382243.db2.gz ZAPFNNOOBCWKLO-LSDHHAIUSA-N 1 2 402.499 -0.572 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2CSCC2=O)CC3)CC1 ZINC000550088510 1070382700 /nfs/dbraw/zinc/38/27/00/1070382700.db2.gz KJRCPASUUVBHEF-AWEZNQCLSA-N 1 2 420.539 -0.518 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2CSCC2=O)CC3)CC1 ZINC000550088511 1070382526 /nfs/dbraw/zinc/38/25/26/1070382526.db2.gz KJRCPASUUVBHEF-CQSZACIVSA-N 1 2 420.539 -0.518 20 0 HBADLO 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ZINC000550390898 1070635485 /nfs/dbraw/zinc/63/54/85/1070635485.db2.gz JHJWVLAMUFPGTN-UHFFFAOYSA-N 1 2 415.542 -0.069 20 0 HBADLO CCC(CC)CNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000550395985 1070636278 /nfs/dbraw/zinc/63/62/78/1070636278.db2.gz MJWQJINANTUOGN-UHFFFAOYSA-N 1 2 403.549 -0.825 20 0 HBADLO CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550403478 1070640366 /nfs/dbraw/zinc/64/03/66/1070640366.db2.gz VPAZJICDLSKYJO-HNNXBMFYSA-N 1 2 406.487 -0.497 20 0 HBADLO CC[C@@H](COC)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550403478 1070640364 /nfs/dbraw/zinc/64/03/64/1070640364.db2.gz VPAZJICDLSKYJO-HNNXBMFYSA-N 1 2 406.487 -0.497 20 0 HBADLO CC[C@H](COC)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000550403479 1070640306 /nfs/dbraw/zinc/64/03/06/1070640306.db2.gz VPAZJICDLSKYJO-OAHLLOKOSA-N 1 2 406.487 -0.497 20 0 HBADLO CC[C@H](COC)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000550403479 1070640303 /nfs/dbraw/zinc/64/03/03/1070640303.db2.gz VPAZJICDLSKYJO-OAHLLOKOSA-N 1 2 406.487 -0.497 20 0 HBADLO CCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550411511 1070656242 /nfs/dbraw/zinc/65/62/42/1070656242.db2.gz MMYIKGAQGMOOSX-HNNXBMFYSA-N 1 2 406.487 -0.449 20 0 HBADLO CCOCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550411511 1070656234 /nfs/dbraw/zinc/65/62/34/1070656234.db2.gz MMYIKGAQGMOOSX-HNNXBMFYSA-N 1 2 406.487 -0.449 20 0 HBADLO CCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000550411512 1070656347 /nfs/dbraw/zinc/65/63/47/1070656347.db2.gz MMYIKGAQGMOOSX-OAHLLOKOSA-N 1 2 406.487 -0.449 20 0 HBADLO CCOCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000550411512 1070656337 /nfs/dbraw/zinc/65/63/37/1070656337.db2.gz MMYIKGAQGMOOSX-OAHLLOKOSA-N 1 2 406.487 -0.449 20 0 HBADLO C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccccc1Cl ZINC000550417002 1070661693 /nfs/dbraw/zinc/66/16/93/1070661693.db2.gz WAICMSFQAGQBGL-BXUZGUMPSA-N 1 2 402.904 -0.052 20 0 HBADLO 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ZINC000550443553 1070719613 /nfs/dbraw/zinc/71/96/13/1070719613.db2.gz ORJCIZBQYDEORS-UHFFFAOYSA-N 1 2 415.454 0.205 20 0 HBADLO CN(C(=O)CN1CCN(C(=O)C(=O)NCCn2cc[nH+]c2)CC1)C1CCCCC1 ZINC000550446244 1070730035 /nfs/dbraw/zinc/73/00/35/1070730035.db2.gz KIOCDQUIIFEHKQ-UHFFFAOYSA-N 1 2 404.515 -0.065 20 0 HBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000550446877 1070741420 /nfs/dbraw/zinc/74/14/20/1070741420.db2.gz JJQRQISBPVOGNY-UHFFFAOYSA-N 1 2 409.450 -0.008 20 0 HBADLO O=C(NCCn1cc[nH+]c1)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000550447075 1070740916 /nfs/dbraw/zinc/74/09/16/1070740916.db2.gz SPHDZVZGYKJTBE-UHFFFAOYSA-N 1 2 405.480 -0.327 20 0 HBADLO Nc1nc(CN2CCN(C(=O)C(=O)NCCn3cc[nH+]c3)CC2)nc2ccccc12 ZINC000550448757 1070767261 /nfs/dbraw/zinc/76/72/61/1070767261.db2.gz KXSMYVFWVAWWSP-UHFFFAOYSA-N 1 2 408.466 -0.131 20 0 HBADLO CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000550450266 1070772469 /nfs/dbraw/zinc/77/24/69/1070772469.db2.gz 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1071094205 /nfs/dbraw/zinc/09/42/05/1071094205.db2.gz VUXAMZUBEODDDW-UHFFFAOYSA-N 1 2 401.471 -0.055 20 0 HBADLO CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000550547813 1071094330 /nfs/dbraw/zinc/09/43/30/1071094330.db2.gz FMHWRDSXNUGOIX-UHFFFAOYSA-N 1 2 405.480 -0.349 20 0 HBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000550548236 1071093960 /nfs/dbraw/zinc/09/39/60/1071093960.db2.gz JYZHWJIRCDRYLQ-UHFFFAOYSA-N 1 2 407.434 -0.116 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)NCc1nnc2n1CCC2 ZINC000550553546 1071095878 /nfs/dbraw/zinc/09/58/78/1071095878.db2.gz TUWHWGKMJIUIPT-UHFFFAOYSA-N 1 2 415.473 -0.082 20 0 HBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000550597102 1069395046 /nfs/dbraw/zinc/39/50/46/1069395046.db2.gz HLFWQVBNOGRYFU-UHFFFAOYSA-N 1 2 405.480 -0.271 20 0 HBADLO COC1(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000550597166 1069395122 /nfs/dbraw/zinc/39/51/22/1069395122.db2.gz LRSSNZPQSZNHFS-UHFFFAOYSA-N 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CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C2)no1 ZINC000552575165 1069817368 /nfs/dbraw/zinc/81/73/68/1069817368.db2.gz QGQBSEQIGNEEGK-LSDHHAIUSA-N 1 2 422.486 -0.972 20 0 HBADLO CCc1nc(CN(C(C)=O)[C@H]2CCN(C(=O)C(=O)NC[C@@H]3C[N@H+](C)CCO3)C2)no1 ZINC000552575165 1069817347 /nfs/dbraw/zinc/81/73/47/1069817347.db2.gz QGQBSEQIGNEEGK-LSDHHAIUSA-N 1 2 422.486 -0.972 20 0 HBADLO C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581083 1069818211 /nfs/dbraw/zinc/81/82/11/1069818211.db2.gz IQZKEGSZXPMREB-CVEARBPZSA-N 1 2 403.483 -0.128 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000552581084 1069818504 /nfs/dbraw/zinc/81/85/04/1069818504.db2.gz IQZKEGSZXPMREB-HOTGVXAUSA-N 1 2 403.483 -0.128 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](C)CO1 ZINC000552581085 1069817016 /nfs/dbraw/zinc/81/70/16/1069817016.db2.gz IQZKEGSZXPMREB-HZPDHXFCSA-N 1 2 403.483 -0.128 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](C)CO1 ZINC000552581086 1069818074 /nfs/dbraw/zinc/81/80/74/1069818074.db2.gz IQZKEGSZXPMREB-JKSUJKDBSA-N 1 2 403.483 -0.128 20 0 HBADLO CC[C@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000552581089 1069818260 /nfs/dbraw/zinc/81/82/60/1069818260.db2.gz IWWFKXSMSYEGRK-INIZCTEOSA-N 1 2 403.483 -0.126 20 0 HBADLO CC[C@@H]1CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000552581090 1069818401 /nfs/dbraw/zinc/81/84/01/1069818401.db2.gz IWWFKXSMSYEGRK-MRXNPFEDSA-N 1 2 403.483 -0.126 20 0 HBADLO CNC(=O)C(C)(C)CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581151 1069818599 /nfs/dbraw/zinc/81/85/99/1069818599.db2.gz KOYBUWTYYSSYQK-UHFFFAOYSA-N 1 2 418.498 -0.875 20 0 HBADLO O=C(CCNC(=O)C(=O)NCC[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581451 1069817072 /nfs/dbraw/zinc/81/70/72/1069817072.db2.gz VUNVZCDFWJQGRQ-INIZCTEOSA-N 1 2 403.483 -0.221 20 0 HBADLO O=C(CCNC(=O)C(=O)NCC[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552581452 1069817195 /nfs/dbraw/zinc/81/71/95/1069817195.db2.gz VUNVZCDFWJQGRQ-MRXNPFEDSA-N 1 2 403.483 -0.221 20 0 HBADLO CC1(C)CN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000552581508 1069817726 /nfs/dbraw/zinc/81/77/26/1069817726.db2.gz XVEIRTXQSWMPLW-UHFFFAOYSA-N 1 2 403.483 -0.126 20 0 HBADLO C[C@H](C[S@@](C)=O)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590422 1069821903 /nfs/dbraw/zinc/82/19/03/1069821903.db2.gz JYNXGPHYQUWENV-GMYLUUGSSA-N 1 2 409.512 -0.880 20 0 HBADLO C[C@@H](C[S@@](C)=O)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590423 1069822228 /nfs/dbraw/zinc/82/22/28/1069822228.db2.gz JYNXGPHYQUWENV-HJFSHJIFSA-N 1 2 409.512 -0.880 20 0 HBADLO C[C@@H](C[S@](C)=O)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590424 1069822188 /nfs/dbraw/zinc/82/21/88/1069822188.db2.gz JYNXGPHYQUWENV-POXGOYDTSA-N 1 2 409.512 -0.880 20 0 HBADLO C[C@H](C[S@](C)=O)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590425 1069822049 /nfs/dbraw/zinc/82/20/49/1069822049.db2.gz JYNXGPHYQUWENV-SUMNFNSASA-N 1 2 409.512 -0.880 20 0 HBADLO C[C@@]1(CO)CCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590684 1069823140 /nfs/dbraw/zinc/82/31/40/1069823140.db2.gz RVJSBBMLTAEEOQ-FQEVSTJZSA-N 1 2 403.483 -0.390 20 0 HBADLO C[C@]1(CO)CCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590685 1069823398 /nfs/dbraw/zinc/82/33/98/1069823398.db2.gz RVJSBBMLTAEEOQ-HXUWFJFHSA-N 1 2 403.483 -0.390 20 0 HBADLO CN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552590748 1069822089 /nfs/dbraw/zinc/82/20/89/1069822089.db2.gz UUCXDNWMYHBVDE-INIZCTEOSA-N 1 2 403.483 -0.126 20 0 HBADLO Cc1ocnc1CNC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591501 1069822447 /nfs/dbraw/zinc/82/24/47/1069822447.db2.gz BUIIFUPPTLROFC-UHFFFAOYSA-N 1 2 400.439 -0.151 20 0 HBADLO C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000552591536 1069821965 /nfs/dbraw/zinc/82/19/65/1069821965.db2.gz CXGHPAJBXRIPJD-HNNXBMFYSA-N 1 2 413.482 -0.153 20 0 HBADLO C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnn(C)c1 ZINC000552591537 1069822296 /nfs/dbraw/zinc/82/22/96/1069822296.db2.gz CXGHPAJBXRIPJD-OAHLLOKOSA-N 1 2 413.482 -0.153 20 0 HBADLO CO[C@H]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552591875 1069822823 /nfs/dbraw/zinc/82/28/23/1069822823.db2.gz MICNUCBOQBRDKK-CVEARBPZSA-N 1 2 403.483 -0.080 20 0 HBADLO CO[C@H]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552591876 1069823035 /nfs/dbraw/zinc/82/30/35/1069823035.db2.gz MICNUCBOQBRDKK-HOTGVXAUSA-N 1 2 403.483 -0.080 20 0 HBADLO CO[C@@H]1CC[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552591877 1069823427 /nfs/dbraw/zinc/82/34/27/1069823427.db2.gz MICNUCBOQBRDKK-HZPDHXFCSA-N 1 2 403.483 -0.080 20 0 HBADLO CO[C@@H]1CC[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000552591878 1069822893 /nfs/dbraw/zinc/82/28/93/1069822893.db2.gz MICNUCBOQBRDKK-JKSUJKDBSA-N 1 2 403.483 -0.080 20 0 HBADLO COC1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000552591903 1069823304 /nfs/dbraw/zinc/82/33/04/1069823304.db2.gz NRSHDAJHUHXDGG-UHFFFAOYSA-N 1 2 403.483 -0.078 20 0 HBADLO O=C(CCNC(=O)C(=O)N1CCOCC2(CC2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552591914 1069823470 /nfs/dbraw/zinc/82/34/70/1069823470.db2.gz OAOXTYXVCRZFGJ-UHFFFAOYSA-N 1 2 415.494 -0.125 20 0 HBADLO C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552592154 1069823197 /nfs/dbraw/zinc/82/31/97/1069823197.db2.gz VXWRMLMCRVLPHA-CVEARBPZSA-N 1 2 403.483 -0.128 20 0 HBADLO C[C@@H]1OCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000552592155 1069823368 /nfs/dbraw/zinc/82/33/68/1069823368.db2.gz VXWRMLMCRVLPHA-HOTGVXAUSA-N 1 2 403.483 -0.128 20 0 HBADLO C[C@H]1OCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H]1C ZINC000552592156 1069823250 /nfs/dbraw/zinc/82/32/50/1069823250.db2.gz VXWRMLMCRVLPHA-HZPDHXFCSA-N 1 2 403.483 -0.128 20 0 HBADLO C[C@H]1OCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1C ZINC000552592157 1069822945 /nfs/dbraw/zinc/82/29/45/1069822945.db2.gz VXWRMLMCRVLPHA-JKSUJKDBSA-N 1 2 403.483 -0.128 20 0 HBADLO O=C(CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552594735 1069824494 /nfs/dbraw/zinc/82/44/94/1069824494.db2.gz DGSAUTBHXFAJPZ-BBWFWOEESA-N 1 2 415.494 -0.534 20 0 HBADLO O=C(CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552594736 1069824140 /nfs/dbraw/zinc/82/41/40/1069824140.db2.gz DGSAUTBHXFAJPZ-GVDBMIGSSA-N 1 2 415.494 -0.534 20 0 HBADLO O=C(CCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552594737 1069823786 /nfs/dbraw/zinc/82/37/86/1069823786.db2.gz DGSAUTBHXFAJPZ-ULQDDVLXSA-N 1 2 415.494 -0.534 20 0 HBADLO O=C(CCNC(=O)C(=O)N1C[C@@H]2CC[C@@H](O)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552594738 1069825359 /nfs/dbraw/zinc/82/53/59/1069825359.db2.gz DGSAUTBHXFAJPZ-YESZJQIVSA-N 1 2 415.494 -0.534 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCNC(=O)C(C)(C)C)CC1 ZINC000552612992 1069826951 /nfs/dbraw/zinc/82/69/51/1069826951.db2.gz RDXOFAMZGSCVNO-UHFFFAOYSA-N 1 2 416.486 -0.710 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000552613929 1069826725 /nfs/dbraw/zinc/82/67/25/1069826725.db2.gz BAUZRXZPOQNAJW-AWEZNQCLSA-N 1 2 410.540 -0.168 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000552613930 1069826830 /nfs/dbraw/zinc/82/68/30/1069826830.db2.gz BAUZRXZPOQNAJW-CQSZACIVSA-N 1 2 410.540 -0.168 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc4nnnn4c2)CC3)CC1 ZINC000552623469 1069827867 /nfs/dbraw/zinc/82/78/67/1069827867.db2.gz PYLCANYDTUTJRF-AWEZNQCLSA-N 1 2 423.481 -0.299 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc4nnnn4c2)CC3)CC1 ZINC000552623470 1069827798 /nfs/dbraw/zinc/82/77/98/1069827798.db2.gz PYLCANYDTUTJRF-CQSZACIVSA-N 1 2 423.481 -0.299 20 0 HBADLO CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000552624786 1069830636 /nfs/dbraw/zinc/83/06/36/1069830636.db2.gz YFIAVBOSMQOPCO-GDBMZVCRSA-N 1 2 419.530 -0.214 20 0 HBADLO CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000552624787 1069830858 /nfs/dbraw/zinc/83/08/58/1069830858.db2.gz YFIAVBOSMQOPCO-GOEBONIOSA-N 1 2 419.530 -0.214 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cnc4n[nH]nc4c2)CC3)CC1 ZINC000552630000 1069830572 /nfs/dbraw/zinc/83/05/72/1069830572.db2.gz UBLZKFXHALUUDG-CYBMUJFWSA-N 1 2 423.481 -0.071 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cnc4n[nH]nc4c2)CC3)CC1 ZINC000552630001 1069830806 /nfs/dbraw/zinc/83/08/06/1069830806.db2.gz UBLZKFXHALUUDG-ZDUSSCGKSA-N 1 2 423.481 -0.071 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccnc4n[nH]nc42)CC3)CC1 ZINC000552631288 1069828223 /nfs/dbraw/zinc/82/82/23/1069828223.db2.gz PXPXWADTKIWLAU-CYBMUJFWSA-N 1 2 423.481 -0.071 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccnc4n[nH]nc42)CC3)CC1 ZINC000552631289 1069828732 /nfs/dbraw/zinc/82/87/32/1069828732.db2.gz PXPXWADTKIWLAU-ZDUSSCGKSA-N 1 2 423.481 -0.071 20 0 HBADLO CC(C)[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000552639495 1069830074 /nfs/dbraw/zinc/83/00/74/1069830074.db2.gz IKTVNYIZQGRIBG-DOTOQJQBSA-N 1 2 418.498 -0.306 20 0 HBADLO CC(C)[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000552639496 1069829844 /nfs/dbraw/zinc/82/98/44/1069829844.db2.gz IKTVNYIZQGRIBG-NVXWUHKLSA-N 1 2 418.498 -0.306 20 0 HBADLO CC(C)[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000552639497 1069829707 /nfs/dbraw/zinc/82/97/07/1069829707.db2.gz IKTVNYIZQGRIBG-RDJZCZTQSA-N 1 2 418.498 -0.306 20 0 HBADLO CC(C)[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1nnc2ccccn21 ZINC000552639498 1069830174 /nfs/dbraw/zinc/83/01/74/1069830174.db2.gz IKTVNYIZQGRIBG-WBVHZDCISA-N 1 2 418.498 -0.306 20 0 HBADLO COCCNS(=O)(=O)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)cc1 ZINC000552688060 1069840061 /nfs/dbraw/zinc/84/00/61/1069840061.db2.gz MHXTYWDWKKRTQS-HNNXBMFYSA-N 1 2 407.452 -0.003 20 0 HBADLO COCCNS(=O)(=O)c1ccc(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)cc1 ZINC000552688060 1069840037 /nfs/dbraw/zinc/84/00/37/1069840037.db2.gz MHXTYWDWKKRTQS-HNNXBMFYSA-N 1 2 407.452 -0.003 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCOC[C@@H]2CCCO2)CC1 ZINC000552695493 1069840772 /nfs/dbraw/zinc/84/07/72/1069840772.db2.gz YCCSYOZQLDVOAH-AWEZNQCLSA-N 1 2 417.470 -0.676 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCCOC[C@H]2CCCO2)CC1 ZINC000552695494 1069840961 /nfs/dbraw/zinc/84/09/61/1069840961.db2.gz YCCSYOZQLDVOAH-CQSZACIVSA-N 1 2 417.470 -0.676 20 0 HBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000552695606 1069840507 /nfs/dbraw/zinc/84/05/07/1069840507.db2.gz CFDMPCFGKLRVFR-UHFFFAOYSA-N 1 2 419.526 -0.232 20 0 HBADLO CN(CCc1ccccn1)C(=O)CNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000552695606 1069840485 /nfs/dbraw/zinc/84/04/85/1069840485.db2.gz CFDMPCFGKLRVFR-UHFFFAOYSA-N 1 2 419.526 -0.232 20 0 HBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000552710978 1069844039 /nfs/dbraw/zinc/84/40/39/1069844039.db2.gz DDWVXVUXCKXZED-UHFFFAOYSA-N 1 2 412.406 -0.907 20 0 HBADLO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000552733281 1069844577 /nfs/dbraw/zinc/84/45/77/1069844577.db2.gz KOKLMJBUEZWHIK-UHFFFAOYSA-N 1 2 418.435 -0.065 20 0 HBADLO COCCCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000552780863 1069852114 /nfs/dbraw/zinc/85/21/14/1069852114.db2.gz UINCDVPOGLCNFS-UHFFFAOYSA-N 1 2 420.514 -0.105 20 0 HBADLO COCCCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000552780863 1069852092 /nfs/dbraw/zinc/85/20/92/1069852092.db2.gz UINCDVPOGLCNFS-UHFFFAOYSA-N 1 2 420.514 -0.105 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)NCc2nccn2C(F)F)CC1 ZINC000552808093 1069853095 /nfs/dbraw/zinc/85/30/95/1069853095.db2.gz JRGITUSQVVQDJD-UHFFFAOYSA-N 1 2 419.396 -0.080 20 0 HBADLO CC(C)(CNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000552826846 1069860506 /nfs/dbraw/zinc/86/05/06/1069860506.db2.gz HCCKCXOUFSGEFR-UHFFFAOYSA-N 1 2 409.575 -0.157 20 0 HBADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552828749 1069861133 /nfs/dbraw/zinc/86/11/33/1069861133.db2.gz SLTNOLLWXYNYNG-HNNXBMFYSA-N 1 2 414.470 -0.967 20 0 HBADLO C[C@H](Cn1cncn1)NC(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000552828750 1069861194 /nfs/dbraw/zinc/86/11/94/1069861194.db2.gz SLTNOLLWXYNYNG-OAHLLOKOSA-N 1 2 414.470 -0.967 20 0 HBADLO O=C(NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000552868242 1069865777 /nfs/dbraw/zinc/86/57/77/1069865777.db2.gz VGUNMDXBEKOUMZ-INIZCTEOSA-N 1 2 410.478 -0.221 20 0 HBADLO O=C(NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000552868245 1069865539 /nfs/dbraw/zinc/86/55/39/1069865539.db2.gz VGUNMDXBEKOUMZ-MRXNPFEDSA-N 1 2 410.478 -0.221 20 0 HBADLO CC(C)(C)Nc1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)[nH+]1 ZINC000552886553 1069867038 /nfs/dbraw/zinc/86/70/38/1069867038.db2.gz QYGVXMWHQGRMNT-UHFFFAOYSA-N 1 2 408.551 -0.586 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000552907729 1069876743 /nfs/dbraw/zinc/87/67/43/1069876743.db2.gz QIRIKUSSRJBYFZ-INIZCTEOSA-N 1 2 421.494 -0.039 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC(C)(C)c1ccc2c(c1)OCO2 ZINC000552907730 1069876781 /nfs/dbraw/zinc/87/67/81/1069876781.db2.gz QIRIKUSSRJBYFZ-MRXNPFEDSA-N 1 2 421.494 -0.039 20 0 HBADLO O=C(CCNC(=O)C(=O)N[C@@H]1CCO[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924255 1069876689 /nfs/dbraw/zinc/87/66/89/1069876689.db2.gz BVBYGIRKGXLMEB-APWZRJJASA-N 1 2 415.494 -0.080 20 0 HBADLO O=C(CCNC(=O)C(=O)N[C@H]1CCO[C@H]1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000552924257 1069876826 /nfs/dbraw/zinc/87/68/26/1069876826.db2.gz BVBYGIRKGXLMEB-LPHOPBHVSA-N 1 2 415.494 -0.080 20 0 HBADLO 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HBADLO C[N@@H+](CC(N)=O)C[C@H]1CN(C(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CCO1 ZINC000554158941 1070048104 /nfs/dbraw/zinc/04/81/04/1070048104.db2.gz HHRSBEMGMIKDMW-KRWDZBQOSA-N 1 2 414.466 -0.867 20 0 HBADLO C[N@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CCO1 ZINC000554158942 1070048017 /nfs/dbraw/zinc/04/80/17/1070048017.db2.gz HHRSBEMGMIKDMW-QGZVFWFLSA-N 1 2 414.466 -0.867 20 0 HBADLO C[N@@H+](CC(N)=O)C[C@@H]1CN(C(=O)C(=O)NCc2cccc(-n3ccnc3)c2)CCO1 ZINC000554158942 1070048002 /nfs/dbraw/zinc/04/80/02/1070048002.db2.gz HHRSBEMGMIKDMW-QGZVFWFLSA-N 1 2 414.466 -0.867 20 0 HBADLO CC[NH+]1CCN(C(=O)C(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)CC1 ZINC000554166717 1070051440 /nfs/dbraw/zinc/05/14/40/1070051440.db2.gz RGYKTWJHDOJPHB-UHFFFAOYSA-N 1 2 412.512 -0.608 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000554169281 1070052092 /nfs/dbraw/zinc/05/20/92/1070052092.db2.gz YIIIVHBNOVMQFF-GDBMZVCRSA-N 1 2 422.457 -0.801 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000554169282 1070051969 /nfs/dbraw/zinc/05/19/69/1070051969.db2.gz YIIIVHBNOVMQFF-GOEBONIOSA-N 1 2 422.457 -0.801 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000554169283 1070051860 /nfs/dbraw/zinc/05/18/60/1070051860.db2.gz YIIIVHBNOVMQFF-HOCLYGCPSA-N 1 2 422.457 -0.801 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000554169284 1070051815 /nfs/dbraw/zinc/05/18/15/1070051815.db2.gz YIIIVHBNOVMQFF-ZBFHGGJFSA-N 1 2 422.457 -0.801 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(C(C)C)C2=O)CC1 ZINC000554191042 1070054532 /nfs/dbraw/zinc/05/45/32/1070054532.db2.gz DOVUOTCBWFREJH-INIZCTEOSA-N 1 2 409.531 -0.485 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(C(C)C)C2=O)CC1 ZINC000554191042 1070054517 /nfs/dbraw/zinc/05/45/17/1070054517.db2.gz DOVUOTCBWFREJH-INIZCTEOSA-N 1 2 409.531 -0.485 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000554191044 1070054763 /nfs/dbraw/zinc/05/47/63/1070054763.db2.gz DOVUOTCBWFREJH-MRXNPFEDSA-N 1 2 409.531 -0.485 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000554191044 1070054747 /nfs/dbraw/zinc/05/47/47/1070054747.db2.gz DOVUOTCBWFREJH-MRXNPFEDSA-N 1 2 409.531 -0.485 20 0 HBADLO Cn1ccnc(N2CCN(C(=O)C(=O)NCc3cccc(-n4cc[nH+]c4)c3)CC2)c1=O ZINC000554199657 1070057653 /nfs/dbraw/zinc/05/76/53/1070057653.db2.gz NDELHWOISWDEEV-UHFFFAOYSA-N 1 2 421.461 -0.069 20 0 HBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCCOCC1 ZINC000554201411 1070058181 /nfs/dbraw/zinc/05/81/81/1070058181.db2.gz UJMDDRHQPMOYFC-INIZCTEOSA-N 1 2 418.498 -0.353 20 0 HBADLO O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCCOCC1 ZINC000554201411 1070058166 /nfs/dbraw/zinc/05/81/66/1070058166.db2.gz UJMDDRHQPMOYFC-INIZCTEOSA-N 1 2 418.498 -0.353 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C(=O)N1CCCOCC1 ZINC000554201414 1070058375 /nfs/dbraw/zinc/05/83/75/1070058375.db2.gz UJMDDRHQPMOYFC-MRXNPFEDSA-N 1 2 418.498 -0.353 20 0 HBADLO O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C(=O)N1CCCOCC1 ZINC000554201414 1070058360 /nfs/dbraw/zinc/05/83/60/1070058360.db2.gz UJMDDRHQPMOYFC-MRXNPFEDSA-N 1 2 418.498 -0.353 20 0 HBADLO CCc1cc(N2CCC[C@H](NC(=O)C(=O)N3CC[NH+](CCOC)CC3)C2)ncn1 ZINC000554207198 1070056342 /nfs/dbraw/zinc/05/63/42/1070056342.db2.gz VBOIJRHJFGUJCJ-KRWDZBQOSA-N 1 2 404.515 -0.085 20 0 HBADLO CCc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CC[NH+](CCOC)CC3)C2)ncn1 ZINC000554207201 1070056407 /nfs/dbraw/zinc/05/64/07/1070056407.db2.gz VBOIJRHJFGUJCJ-QGZVFWFLSA-N 1 2 404.515 -0.085 20 0 HBADLO C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@@H](C(N)=O)O1 ZINC000554223007 1070059526 /nfs/dbraw/zinc/05/95/26/1070059526.db2.gz YNIMJAIHUWHFBM-JSHWQEIDSA-N 1 2 404.471 -0.101 20 0 HBADLO C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)C[C@H](C(N)=O)O1 ZINC000554223089 1070060538 /nfs/dbraw/zinc/06/05/38/1070060538.db2.gz YNIMJAIHUWHFBM-WBMRYOJMSA-N 1 2 404.471 -0.101 20 0 HBADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccco2)C[C@H]1O ZINC000554249746 1070063998 /nfs/dbraw/zinc/06/39/98/1070063998.db2.gz KNPWKEYYBQFGMO-HUUCEWRRSA-N 1 2 410.471 -0.076 20 0 HBADLO CN(CC(=O)OC(C)(C)C)[C@@H]1C[N@H+](CC(=O)NC(=O)NCc2ccco2)C[C@H]1O ZINC000554249746 1070063984 /nfs/dbraw/zinc/06/39/84/1070063984.db2.gz KNPWKEYYBQFGMO-HUUCEWRRSA-N 1 2 410.471 -0.076 20 0 HBADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@@H+](CC(=O)NC(=O)NCc2ccco2)C[C@H]1O ZINC000554249747 1070063771 /nfs/dbraw/zinc/06/37/71/1070063771.db2.gz KNPWKEYYBQFGMO-LSDHHAIUSA-N 1 2 410.471 -0.076 20 0 HBADLO CN(CC(=O)OC(C)(C)C)[C@H]1C[N@H+](CC(=O)NC(=O)NCc2ccco2)C[C@H]1O ZINC000554249747 1070063768 /nfs/dbraw/zinc/06/37/68/1070063768.db2.gz KNPWKEYYBQFGMO-LSDHHAIUSA-N 1 2 410.471 -0.076 20 0 HBADLO CCOc1cc(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1OC ZINC000554250708 1070062092 /nfs/dbraw/zinc/06/20/92/1070062092.db2.gz UKLXNTSICHXAQL-INIZCTEOSA-N 1 2 409.483 -0.138 20 0 HBADLO CCOc1cc(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1OC ZINC000554250709 1070061949 /nfs/dbraw/zinc/06/19/49/1070061949.db2.gz UKLXNTSICHXAQL-MRXNPFEDSA-N 1 2 409.483 -0.138 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H](C)C1 ZINC000554254927 1070062071 /nfs/dbraw/zinc/06/20/71/1070062071.db2.gz DEKMZFCPLBFIGR-OAHLLOKOSA-N 1 2 414.532 0.103 20 0 HBADLO NS(=O)(=O)c1ccccc1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000554261613 1069569356 /nfs/dbraw/zinc/56/93/56/1069569356.db2.gz WRDOSGRYEFUUPQ-UHFFFAOYSA-N 1 2 408.484 0.184 20 0 HBADLO CCOC(=O)C(C)(C)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000554321081 1070068935 /nfs/dbraw/zinc/06/89/35/1070068935.db2.gz VUWNXCQPBQKICH-UHFFFAOYSA-N 1 2 404.533 -0.398 20 0 HBADLO CC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)COC1 ZINC000554334218 1070070966 /nfs/dbraw/zinc/07/09/66/1070070966.db2.gz WPRLANOCZJMULD-UHFFFAOYSA-N 1 2 404.471 -0.886 20 0 HBADLO CC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)COC1 ZINC000554334218 1070070949 /nfs/dbraw/zinc/07/09/49/1070070949.db2.gz WPRLANOCZJMULD-UHFFFAOYSA-N 1 2 404.471 -0.886 20 0 HBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554350866 1070077027 /nfs/dbraw/zinc/07/70/27/1070077027.db2.gz HEUSHEZSDILTRK-MSOLQXFVSA-N 1 2 423.558 -0.585 20 0 HBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554350867 1070076760 /nfs/dbraw/zinc/07/67/60/1070076760.db2.gz HEUSHEZSDILTRK-QZTJIDSGSA-N 1 2 423.558 -0.585 20 0 HBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554350868 1070077174 /nfs/dbraw/zinc/07/71/74/1070077174.db2.gz HEUSHEZSDILTRK-ROUUACIJSA-N 1 2 423.558 -0.585 20 0 HBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554350869 1070076954 /nfs/dbraw/zinc/07/69/54/1070076954.db2.gz HEUSHEZSDILTRK-ZWKOTPCHSA-N 1 2 423.558 -0.585 20 0 HBADLO Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554351150 1070075909 /nfs/dbraw/zinc/07/59/09/1070075909.db2.gz APXMUHQDIDVJKK-MSOLQXFVSA-N 1 2 418.542 -0.176 20 0 HBADLO Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554351151 1070075402 /nfs/dbraw/zinc/07/54/02/1070075402.db2.gz APXMUHQDIDVJKK-QZTJIDSGSA-N 1 2 418.542 -0.176 20 0 HBADLO Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000554351152 1070075620 /nfs/dbraw/zinc/07/56/20/1070075620.db2.gz APXMUHQDIDVJKK-ROUUACIJSA-N 1 2 418.542 -0.176 20 0 HBADLO Cn1ccnc1CN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000554351153 1070076409 /nfs/dbraw/zinc/07/64/09/1070076409.db2.gz APXMUHQDIDVJKK-ZWKOTPCHSA-N 1 2 418.542 -0.176 20 0 HBADLO O=C1[C@@H]2COCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000554351909 1070076653 /nfs/dbraw/zinc/07/66/53/1070076653.db2.gz MSQXLGWNXZZSQO-AWEZNQCLSA-N 1 2 409.468 -0.804 20 0 HBADLO O=C1[C@H]2COCCN2C(=O)N1CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000554351910 1070076573 /nfs/dbraw/zinc/07/65/73/1070076573.db2.gz MSQXLGWNXZZSQO-CQSZACIVSA-N 1 2 409.468 -0.804 20 0 HBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000554352509 1070077063 /nfs/dbraw/zinc/07/70/63/1070077063.db2.gz ZBYNXTGHQOZPKT-BRWVUGGUSA-N 1 2 407.515 -0.192 20 0 HBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000554352510 1070077099 /nfs/dbraw/zinc/07/70/99/1070077099.db2.gz ZBYNXTGHQOZPKT-IKGGRYGDSA-N 1 2 407.515 -0.192 20 0 HBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000554352511 1070076618 /nfs/dbraw/zinc/07/66/18/1070076618.db2.gz ZBYNXTGHQOZPKT-IXDOHACOSA-N 1 2 407.515 -0.192 20 0 HBADLO O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000554352512 1070076822 /nfs/dbraw/zinc/07/68/22/1070076822.db2.gz 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/nfs/dbraw/zinc/08/56/98/1070085698.db2.gz FPHAJFYBFJXOKO-QGZVFWFLSA-N 1 2 420.576 -0.229 20 0 HBADLO Cc1nnc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)s1 ZINC000554463966 1070086331 /nfs/dbraw/zinc/08/63/31/1070086331.db2.gz OMQIECVEQYGXIG-UHFFFAOYSA-N 1 2 401.456 -0.512 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000554474830 1069608886 /nfs/dbraw/zinc/60/88/86/1069608886.db2.gz FRLNJDKEYBELLA-UHFFFAOYSA-N 1 2 404.393 0.454 20 0 HBADLO Cn1c[nH+]cc1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000554496060 1070088163 /nfs/dbraw/zinc/08/81/63/1070088163.db2.gz ONKHCHATMPLLQY-UHFFFAOYSA-N 1 2 419.463 -0.173 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)NC)C3)cc2)CC1 ZINC000554632147 1070097963 /nfs/dbraw/zinc/09/79/63/1070097963.db2.gz KGIJGZXOQPJJAU-GOSISDBHSA-N 1 2 417.510 -0.264 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)NC)C3)cc2)CC1 ZINC000554632148 1070097881 /nfs/dbraw/zinc/09/78/81/1070097881.db2.gz 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CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)cn1 ZINC000554786282 1070123100 /nfs/dbraw/zinc/12/31/00/1070123100.db2.gz CCESMLQKRGQDQR-LESCRADOSA-N 1 2 420.514 -0.482 20 0 HBADLO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000554800897 1070125761 /nfs/dbraw/zinc/12/57/61/1070125761.db2.gz GYBDGLAKLZWHJD-INIZCTEOSA-N 1 2 413.478 -0.246 20 0 HBADLO Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000554800898 1070126039 /nfs/dbraw/zinc/12/60/39/1070126039.db2.gz GYBDGLAKLZWHJD-MRXNPFEDSA-N 1 2 413.478 -0.246 20 0 HBADLO O=C(CN1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1)NC1CCCCC1 ZINC000554822219 1070126621 /nfs/dbraw/zinc/12/66/21/1070126621.db2.gz SSDDYOKVQOMBHB-KRWDZBQOSA-N 1 2 416.526 -0.093 20 0 HBADLO O=C(CN1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1)NC1CCCCC1 ZINC000554822220 1070127529 /nfs/dbraw/zinc/12/75/29/1070127529.db2.gz SSDDYOKVQOMBHB-QGZVFWFLSA-N 1 2 416.526 -0.093 20 0 HBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)N1CCc2ccccc21 ZINC000554843012 1070128467 /nfs/dbraw/zinc/12/84/67/1070128467.db2.gz IMIPYVBQQMXKDS-UHFFFAOYSA-N 1 2 400.479 -0.031 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846500 1070128425 /nfs/dbraw/zinc/12/84/25/1070128425.db2.gz YYISNPXYCJDWTB-KBXIAJHMSA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846500 1070128417 /nfs/dbraw/zinc/12/84/17/1070128417.db2.gz YYISNPXYCJDWTB-KBXIAJHMSA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846501 1070128602 /nfs/dbraw/zinc/12/86/02/1070128602.db2.gz YYISNPXYCJDWTB-TUVASFSCSA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846501 1070128598 /nfs/dbraw/zinc/12/85/98/1070128598.db2.gz YYISNPXYCJDWTB-TUVASFSCSA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846502 1070128537 /nfs/dbraw/zinc/12/85/37/1070128537.db2.gz YYISNPXYCJDWTB-XGUBFFRZSA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846502 1070128532 /nfs/dbraw/zinc/12/85/32/1070128532.db2.gz YYISNPXYCJDWTB-XGUBFFRZSA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846503 1070128344 /nfs/dbraw/zinc/12/83/44/1070128344.db2.gz YYISNPXYCJDWTB-YJNKXOJESA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CC(=O)NCCCN(C)S(C)(=O)=O)O1 ZINC000554846503 1070128339 /nfs/dbraw/zinc/12/83/39/1070128339.db2.gz YYISNPXYCJDWTB-YJNKXOJESA-N 1 2 405.517 -0.433 20 0 HBADLO COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000554881129 1070138194 /nfs/dbraw/zinc/13/81/94/1070138194.db2.gz XDOIQRMIFOBNSL-UHFFFAOYSA-N 1 2 420.466 -0.615 20 0 HBADLO CCOC1CC(CNC(=O)C(=O)N2CC[NH+](CCOC)CC2)(N2CCOCC2)C1 ZINC000554891770 1070137171 /nfs/dbraw/zinc/13/71/71/1070137171.db2.gz HHZNTNLYLOOHLW-UHFFFAOYSA-N 1 2 412.531 -0.837 20 0 HBADLO COc1nccc(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000554917723 1069654978 /nfs/dbraw/zinc/65/49/78/1069654978.db2.gz KDFSWIDTDAPXNX-UHFFFAOYSA-N 1 2 421.483 0.154 20 0 HBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000554943586 1070145129 /nfs/dbraw/zinc/14/51/29/1070145129.db2.gz XUIINYMHCMNCST-KRWDZBQOSA-N 1 2 404.515 -0.094 20 0 HBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000554943586 1070145125 /nfs/dbraw/zinc/14/51/25/1070145125.db2.gz XUIINYMHCMNCST-KRWDZBQOSA-N 1 2 404.515 -0.094 20 0 HBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000554943587 1070144962 /nfs/dbraw/zinc/14/49/62/1070144962.db2.gz XUIINYMHCMNCST-QGZVFWFLSA-N 1 2 404.515 -0.094 20 0 HBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000554943587 1070144959 /nfs/dbraw/zinc/14/49/59/1070144959.db2.gz XUIINYMHCMNCST-QGZVFWFLSA-N 1 2 404.515 -0.094 20 0 HBADLO C[NH+](C)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 ZINC000554953823 1070146836 /nfs/dbraw/zinc/14/68/36/1070146836.db2.gz GPMOCHKIMIXZMF-UHFFFAOYSA-N 1 2 404.439 -0.525 20 0 HBADLO Cc1nc(N2CCN(C(=O)NCCS(=O)(=O)N3CCSCC3)CC2)cc[nH+]1 ZINC000555014671 1070152867 /nfs/dbraw/zinc/15/28/67/1070152867.db2.gz LAIJJOFCVPKFNH-UHFFFAOYSA-N 1 2 414.557 -0.005 20 0 HBADLO COc1ccc(CNC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)c(OC)n1 ZINC000555056272 1070161769 /nfs/dbraw/zinc/16/17/69/1070161769.db2.gz AVDBEQRBCZGTDG-UHFFFAOYSA-N 1 2 418.454 -0.118 20 0 HBADLO COC(=O)c1cn(C2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)C2)nn1 ZINC000555084623 1070166249 /nfs/dbraw/zinc/16/62/49/1070166249.db2.gz FUVCKTQACQGSBX-AWEZNQCLSA-N 1 2 403.443 -0.055 20 0 HBADLO COC(=O)c1cn(C2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)C2)nn1 ZINC000555084623 1070166245 /nfs/dbraw/zinc/16/62/45/1070166245.db2.gz FUVCKTQACQGSBX-AWEZNQCLSA-N 1 2 403.443 -0.055 20 0 HBADLO COC(=O)c1cn(C2CN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)CC(C)C)C2)nn1 ZINC000555084624 1070166212 /nfs/dbraw/zinc/16/62/12/1070166212.db2.gz FUVCKTQACQGSBX-CQSZACIVSA-N 1 2 403.443 -0.055 20 0 HBADLO COC(=O)c1cn(C2CN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)CC(C)C)C2)nn1 ZINC000555084624 1070166206 /nfs/dbraw/zinc/16/62/06/1070166206.db2.gz FUVCKTQACQGSBX-CQSZACIVSA-N 1 2 403.443 -0.055 20 0 HBADLO CCOC1CC(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)([NH+]2CCOCC2)C1 ZINC000555095205 1070169480 /nfs/dbraw/zinc/16/94/80/1070169480.db2.gz XBFHKZYWRPNNHZ-UHFFFAOYSA-N 1 2 415.516 -0.916 20 0 HBADLO CC1CCN(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000555235206 1070179952 /nfs/dbraw/zinc/17/99/52/1070179952.db2.gz WQVMIZJDQBRZQB-UHFFFAOYSA-N 1 2 423.539 -0.092 20 0 HBADLO CN(C)c1nc(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc(=O)[nH]1 ZINC000555252703 1070180606 /nfs/dbraw/zinc/18/06/06/1070180606.db2.gz PLTXIEASJLZXOT-UHFFFAOYSA-N 1 2 414.470 -0.163 20 0 HBADLO CN(C)c1nc(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc(=O)[nH]1 ZINC000555252703 1070180601 /nfs/dbraw/zinc/18/06/01/1070180601.db2.gz PLTXIEASJLZXOT-UHFFFAOYSA-N 1 2 414.470 -0.163 20 0 HBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302103 1070184761 /nfs/dbraw/zinc/18/47/61/1070184761.db2.gz NISWIPICNUILNB-BBRMVZONSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@H]1C[N@H+](CCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302103 1070184758 /nfs/dbraw/zinc/18/47/58/1070184758.db2.gz NISWIPICNUILNB-BBRMVZONSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302104 1070184772 /nfs/dbraw/zinc/18/47/72/1070184772.db2.gz NISWIPICNUILNB-CJNGLKHVSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302104 1070184770 /nfs/dbraw/zinc/18/47/70/1070184770.db2.gz NISWIPICNUILNB-CJNGLKHVSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302105 1070184674 /nfs/dbraw/zinc/18/46/74/1070184674.db2.gz NISWIPICNUILNB-CZUORRHYSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302105 1070184669 /nfs/dbraw/zinc/18/46/69/1070184669.db2.gz NISWIPICNUILNB-CZUORRHYSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@H]1C[N@@H+](CCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302106 1070185541 /nfs/dbraw/zinc/18/55/41/1070185541.db2.gz NISWIPICNUILNB-XJKSGUPXSA-N 1 2 402.451 -0.246 20 0 HBADLO C[C@H]1C[N@H+](CCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CCO1 ZINC000555302106 1070185536 /nfs/dbraw/zinc/18/55/36/1070185536.db2.gz NISWIPICNUILNB-XJKSGUPXSA-N 1 2 402.451 -0.246 20 0 HBADLO COc1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000555313928 1070188698 /nfs/dbraw/zinc/18/86/98/1070188698.db2.gz MXCIMISNAKNHJT-UHFFFAOYSA-N 1 2 406.468 -0.238 20 0 HBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCCO1 ZINC000555388855 1070194753 /nfs/dbraw/zinc/19/47/53/1070194753.db2.gz ISEKBQQRAONCKQ-CABCVRRESA-N 1 2 416.548 -0.164 20 0 HBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CCCO1 ZINC000555388856 1070194659 /nfs/dbraw/zinc/19/46/59/1070194659.db2.gz ISEKBQQRAONCKQ-GJZGRUSLSA-N 1 2 416.548 -0.164 20 0 HBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCCO1 ZINC000555388857 1070194818 /nfs/dbraw/zinc/19/48/18/1070194818.db2.gz ISEKBQQRAONCKQ-HUUCEWRRSA-N 1 2 416.548 -0.164 20 0 HBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CCCO1 ZINC000555388858 1070194721 /nfs/dbraw/zinc/19/47/21/1070194721.db2.gz ISEKBQQRAONCKQ-LSDHHAIUSA-N 1 2 416.548 -0.164 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2CCCNC2=O)CC3)CC1 ZINC000555519162 1070208426 /nfs/dbraw/zinc/20/84/26/1070208426.db2.gz GOXFGHBNTZDHFD-HNNXBMFYSA-N 1 2 417.514 -0.635 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2CCCNC2=O)CC3)CC1 ZINC000555519163 1070208222 /nfs/dbraw/zinc/20/82/22/1070208222.db2.gz GOXFGHBNTZDHFD-OAHLLOKOSA-N 1 2 417.514 -0.635 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2CCOCC2)CC3)CC1 ZINC000555519350 1070208303 /nfs/dbraw/zinc/20/83/03/1070208303.db2.gz RLCODXRSZVTUOI-INIZCTEOSA-N 1 2 404.515 -0.719 20 0 HBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2CCOCC2)CC3)CC1 ZINC000555519353 1070208355 /nfs/dbraw/zinc/20/83/55/1070208355.db2.gz RLCODXRSZVTUOI-MRXNPFEDSA-N 1 2 404.515 -0.719 20 0 HBADLO CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555520552 1070208396 /nfs/dbraw/zinc/20/83/96/1070208396.db2.gz IJOFZQLFXNEHTE-CRAIPNDOSA-N 1 2 404.515 -0.720 20 0 HBADLO CN1CCOC[C@@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000555520554 1070208239 /nfs/dbraw/zinc/20/82/39/1070208239.db2.gz IJOFZQLFXNEHTE-MAUKXSAKSA-N 1 2 404.515 -0.720 20 0 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ZINC000555801297 1070240999 /nfs/dbraw/zinc/24/09/99/1070240999.db2.gz PGQUPRJMBBVZHQ-ROUUACIJSA-N 1 2 415.494 -0.223 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000555801298 1070240746 /nfs/dbraw/zinc/24/07/46/1070240746.db2.gz PGQUPRJMBBVZHQ-ZWKOTPCHSA-N 1 2 415.494 -0.223 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000555809243 1070241067 /nfs/dbraw/zinc/24/10/67/1070241067.db2.gz HDMAROHWJNVMQR-HNNXBMFYSA-N 1 2 420.514 -0.241 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)[C@@H](C)C1 ZINC000555809243 1070241059 /nfs/dbraw/zinc/24/10/59/1070241059.db2.gz HDMAROHWJNVMQR-HNNXBMFYSA-N 1 2 420.514 -0.241 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000555809244 1070240955 /nfs/dbraw/zinc/24/09/55/1070240955.db2.gz HDMAROHWJNVMQR-OAHLLOKOSA-N 1 2 420.514 -0.241 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)[C@H](C)C1 ZINC000555809244 1070240948 /nfs/dbraw/zinc/24/09/48/1070240948.db2.gz HDMAROHWJNVMQR-OAHLLOKOSA-N 1 2 420.514 -0.241 20 0 HBADLO Cn1nccc1COCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000555817659 1070242209 /nfs/dbraw/zinc/24/22/09/1070242209.db2.gz RJMKKWZOHZAYIF-UHFFFAOYSA-N 1 2 422.511 -0.400 20 0 HBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555855009 1070244269 /nfs/dbraw/zinc/24/42/69/1070244269.db2.gz LSDNCZVBWLOGOO-INIZCTEOSA-N 1 2 412.531 -0.445 20 0 HBADLO COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000555855010 1070244247 /nfs/dbraw/zinc/24/42/47/1070244247.db2.gz LSDNCZVBWLOGOO-MRXNPFEDSA-N 1 2 412.531 -0.445 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000555855166 1070244401 /nfs/dbraw/zinc/24/44/01/1070244401.db2.gz QKXDJDQNZWUADO-CABCVRRESA-N 1 2 408.503 -0.672 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000555855167 1070244292 /nfs/dbraw/zinc/24/42/92/1070244292.db2.gz QKXDJDQNZWUADO-GJZGRUSLSA-N 1 2 408.503 -0.672 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000555855168 1070244569 /nfs/dbraw/zinc/24/45/69/1070244569.db2.gz QKXDJDQNZWUADO-HUUCEWRRSA-N 1 2 408.503 -0.672 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)CC2 ZINC000555855169 1070244313 /nfs/dbraw/zinc/24/43/13/1070244313.db2.gz QKXDJDQNZWUADO-LSDHHAIUSA-N 1 2 408.503 -0.672 20 0 HBADLO CCN(CCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)S(C)(=O)=O ZINC000555856609 1070244464 /nfs/dbraw/zinc/24/44/64/1070244464.db2.gz PTXSQRWUDGRGSF-HNNXBMFYSA-N 1 2 406.549 -0.753 20 0 HBADLO CCN(CCCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)S(C)(=O)=O ZINC000555856610 1070244429 /nfs/dbraw/zinc/24/44/29/1070244429.db2.gz PTXSQRWUDGRGSF-OAHLLOKOSA-N 1 2 406.549 -0.753 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[NH+]1CCOCC1 ZINC000555856734 1069678277 /nfs/dbraw/zinc/67/82/77/1069678277.db2.gz SAGHBACKVVVYCV-CYBMUJFWSA-N 1 2 411.532 -0.758 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCN(c2nc(N)ns2)CC1)[NH+]1CCOCC1 ZINC000555856740 1069678235 /nfs/dbraw/zinc/67/82/35/1069678235.db2.gz SAGHBACKVVVYCV-ZDUSSCGKSA-N 1 2 411.532 -0.758 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555856793 1070244501 /nfs/dbraw/zinc/24/45/01/1070244501.db2.gz XKBRGGONLONUOO-CVEARBPZSA-N 1 2 418.560 -0.753 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555856795 1070244353 /nfs/dbraw/zinc/24/43/53/1070244353.db2.gz XKBRGGONLONUOO-HOTGVXAUSA-N 1 2 418.560 -0.753 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555856797 1070244448 /nfs/dbraw/zinc/24/44/48/1070244448.db2.gz XKBRGGONLONUOO-HZPDHXFCSA-N 1 2 418.560 -0.753 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC000555856799 1070244484 /nfs/dbraw/zinc/24/44/84/1070244484.db2.gz XKBRGGONLONUOO-JKSUJKDBSA-N 1 2 418.560 -0.753 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)[NH+]1CCOCC1 ZINC000555857550 1070246258 /nfs/dbraw/zinc/24/62/58/1070246258.db2.gz KKXBMRDHIHUBHQ-GOSISDBHSA-N 1 2 419.526 -0.328 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)NCC(=O)N(C)CCc1ccccn1)[NH+]1CCOCC1 ZINC000555857554 1070246307 /nfs/dbraw/zinc/24/63/07/1070246307.db2.gz KKXBMRDHIHUBHQ-SFHVURJKSA-N 1 2 419.526 -0.328 20 0 HBADLO O=C(C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2COCCO2)CC1)Nc1ccccc1 ZINC000555882701 1070248596 /nfs/dbraw/zinc/24/85/96/1070248596.db2.gz OQEBOVSVSXEHFK-KRWDZBQOSA-N 1 2 404.467 -0.263 20 0 HBADLO O=C(C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2COCCO2)CC1)Nc1ccccc1 ZINC000555882707 1070248716 /nfs/dbraw/zinc/24/87/16/1070248716.db2.gz OQEBOVSVSXEHFK-QGZVFWFLSA-N 1 2 404.467 -0.263 20 0 HBADLO O=C(C[NH+]1CCC(NC(=O)C(=O)N2CCn3cnnc3C2)CC1)Nc1ccccc1 ZINC000555883674 1070249297 /nfs/dbraw/zinc/24/92/97/1070249297.db2.gz OXTZIPWHLAHICP-UHFFFAOYSA-N 1 2 411.466 -0.160 20 0 HBADLO CN1C[C@@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1=O ZINC000555884709 1070249234 /nfs/dbraw/zinc/24/92/34/1070249234.db2.gz HTVLQDJLYONJKQ-KRWDZBQOSA-N 1 2 415.494 -0.057 20 0 HBADLO CN1C[C@H](NC(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCC1=O ZINC000555884710 1070249264 /nfs/dbraw/zinc/24/92/64/1070249264.db2.gz HTVLQDJLYONJKQ-QGZVFWFLSA-N 1 2 415.494 -0.057 20 0 HBADLO C[C@]1(C(N)=O)CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000555885577 1070249137 /nfs/dbraw/zinc/24/91/37/1070249137.db2.gz SHGDIJUIZHUPCP-NRFANRHFSA-N 1 2 415.494 -0.070 20 0 HBADLO C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000555885578 1070249087 /nfs/dbraw/zinc/24/90/87/1070249087.db2.gz SHGDIJUIZHUPCP-OAQYLSRUSA-N 1 2 415.494 -0.070 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C[C@H](CO)O1 ZINC000555886255 1070248108 /nfs/dbraw/zinc/24/81/08/1070248108.db2.gz NJLNHPYDDLUPRZ-CRAIPNDOSA-N 1 2 418.494 -0.186 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C[C@H](CO)O1 ZINC000555886257 1070247977 /nfs/dbraw/zinc/24/79/77/1070247977.db2.gz NJLNHPYDDLUPRZ-MAUKXSAKSA-N 1 2 418.494 -0.186 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C[C@@H](CO)O1 ZINC000555886259 1070247897 /nfs/dbraw/zinc/24/78/97/1070247897.db2.gz NJLNHPYDDLUPRZ-QAPCUYQASA-N 1 2 418.494 -0.186 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C[C@@H](CO)O1 ZINC000555886261 1070247936 /nfs/dbraw/zinc/24/79/36/1070247936.db2.gz NJLNHPYDDLUPRZ-YJBOKZPZSA-N 1 2 418.494 -0.186 20 0 HBADLO CC(=O)NCCCNC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000555886851 1070248147 /nfs/dbraw/zinc/24/81/47/1070248147.db2.gz ZOPLTWZWYPUOIL-UHFFFAOYSA-N 1 2 403.483 -0.152 20 0 HBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000555907282 1070255553 /nfs/dbraw/zinc/25/55/53/1070255553.db2.gz CBSGLSDNKZEANQ-GOSISDBHSA-N 1 2 423.558 -0.728 20 0 HBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC000555907286 1070255422 /nfs/dbraw/zinc/25/54/22/1070255422.db2.gz CBSGLSDNKZEANQ-SFHVURJKSA-N 1 2 423.558 -0.728 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000555907595 1070255296 /nfs/dbraw/zinc/25/52/96/1070255296.db2.gz DWVOHIUWXBKDRG-HNNXBMFYSA-N 1 2 409.874 -0.245 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1cn2cc(Cl)ccc2n1 ZINC000555907597 1070255500 /nfs/dbraw/zinc/25/55/00/1070255500.db2.gz DWVOHIUWXBKDRG-OAHLLOKOSA-N 1 2 409.874 -0.245 20 0 HBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)[NH+]1CCOCC1 ZINC000555908035 1070255671 /nfs/dbraw/zinc/25/56/71/1070255671.db2.gz JLIUFMSZOPBGGB-KRWDZBQOSA-N 1 2 406.531 -0.083 20 0 HBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(Cc2ncc[nH]2)CC1)[NH+]1CCOCC1 ZINC000555908040 1070255170 /nfs/dbraw/zinc/25/51/70/1070255170.db2.gz JLIUFMSZOPBGGB-QGZVFWFLSA-N 1 2 406.531 -0.083 20 0 HBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000555908131 1070255462 /nfs/dbraw/zinc/25/54/62/1070255462.db2.gz DUARIDUCRROIFD-IBGZPJMESA-N 1 2 420.558 -0.073 20 0 HBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1)[NH+]1CCOCC1 ZINC000555908132 1070255646 /nfs/dbraw/zinc/25/56/46/1070255646.db2.gz DUARIDUCRROIFD-LJQANCHMSA-N 1 2 420.558 -0.073 20 0 HBADLO CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)[NH+]1CCOCC1 ZINC000555908789 1070255207 /nfs/dbraw/zinc/25/52/07/1070255207.db2.gz PASQKXBOLSULSQ-INIZCTEOSA-N 1 2 411.547 -0.742 20 0 HBADLO CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1)[NH+]1CCOCC1 ZINC000555908798 1070255523 /nfs/dbraw/zinc/25/55/23/1070255523.db2.gz PASQKXBOLSULSQ-MRXNPFEDSA-N 1 2 411.547 -0.742 20 0 HBADLO Cn1cc(N2CCN(C(=O)C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2=O)cn1 ZINC000555909039 1070256145 /nfs/dbraw/zinc/25/61/45/1070256145.db2.gz NCXXOZSGCNTQKV-UHFFFAOYSA-N 1 2 411.466 -0.093 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000555909207 1070256401 /nfs/dbraw/zinc/25/64/01/1070256401.db2.gz QXYVAQOHSMLBIT-KRWDZBQOSA-N 1 2 405.499 -0.551 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(N2CCCC2)c1 ZINC000555909211 1070256223 /nfs/dbraw/zinc/25/62/23/1070256223.db2.gz QXYVAQOHSMLBIT-QGZVFWFLSA-N 1 2 405.499 -0.551 20 0 HBADLO COCCN1CCCN(C(=O)C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1=O ZINC000555909869 1070256377 /nfs/dbraw/zinc/25/63/77/1070256377.db2.gz WSGGBKLDNVSLTG-KRWDZBQOSA-N 1 2 412.531 -0.443 20 0 HBADLO COCCN1CCCN(C(=O)C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1=O ZINC000555909873 1070256463 /nfs/dbraw/zinc/25/64/63/1070256463.db2.gz WSGGBKLDNVSLTG-QGZVFWFLSA-N 1 2 412.531 -0.443 20 0 HBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000555912851 1070254061 /nfs/dbraw/zinc/25/40/61/1070254061.db2.gz QKMDYZISIPHCMQ-UHFFFAOYSA-N 1 2 421.461 -0.074 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000555915775 1070258912 /nfs/dbraw/zinc/25/89/12/1070258912.db2.gz GDUJJWXQYPGBHN-UHFFFAOYSA-N 1 2 423.514 -0.462 20 0 HBADLO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@H](C(C)C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000555922391 1070257040 /nfs/dbraw/zinc/25/70/40/1070257040.db2.gz PXPCTWVPONXJIO-GOSISDBHSA-N 1 2 417.558 -0.178 20 0 HBADLO Cc1nccc(N2CCN(C(=O)C(=O)NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)CC2)n1 ZINC000555922394 1070258027 /nfs/dbraw/zinc/25/80/27/1070258027.db2.gz PXPCTWVPONXJIO-SFHVURJKSA-N 1 2 417.558 -0.178 20 0 HBADLO CSCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000555944355 1070264743 /nfs/dbraw/zinc/26/47/43/1070264743.db2.gz PGYNJUVPYQOPJF-UHFFFAOYSA-N 1 2 408.528 -0.169 20 0 HBADLO CSCCCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000555944355 1070264732 /nfs/dbraw/zinc/26/47/32/1070264732.db2.gz PGYNJUVPYQOPJF-UHFFFAOYSA-N 1 2 408.528 -0.169 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)c1ccccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000555965162 1070269338 /nfs/dbraw/zinc/26/93/38/1070269338.db2.gz WCRAXQARBJGYSL-UHFFFAOYSA-N 1 2 411.509 -0.093 20 0 HBADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000555974124 1070268788 /nfs/dbraw/zinc/26/87/88/1070268788.db2.gz OGDOMJTZXBSPHH-AWEZNQCLSA-N 1 2 404.467 -0.242 20 0 HBADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)cc1 ZINC000555974124 1070268778 /nfs/dbraw/zinc/26/87/78/1070268778.db2.gz OGDOMJTZXBSPHH-AWEZNQCLSA-N 1 2 404.467 -0.242 20 0 HBADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000555974126 1070268071 /nfs/dbraw/zinc/26/80/71/1070268071.db2.gz OGDOMJTZXBSPHH-CQSZACIVSA-N 1 2 404.467 -0.242 20 0 HBADLO CNC(=O)c1ccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)cc1 ZINC000555974126 1070268063 /nfs/dbraw/zinc/26/80/63/1070268063.db2.gz OGDOMJTZXBSPHH-CQSZACIVSA-N 1 2 404.467 -0.242 20 0 HBADLO O=C(CCNC(=O)C(=O)NCCCn1cccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000555975630 1070269586 /nfs/dbraw/zinc/26/95/86/1070269586.db2.gz DLOSPVDKPCWXCA-UHFFFAOYSA-N 1 2 413.482 -0.361 20 0 HBADLO CCNC(=O)COc1ccc(CNC(=O)C(=O)N2CC[NH+](CC)CC2)cc1OC ZINC000555983482 1070269961 /nfs/dbraw/zinc/26/99/61/1070269961.db2.gz HFPUULWLHZEAFV-UHFFFAOYSA-N 1 2 406.483 -0.010 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000556016256 1070277064 /nfs/dbraw/zinc/27/70/64/1070277064.db2.gz DSFFZMMSPKPGHI-INIZCTEOSA-N 1 2 402.455 -0.965 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000556016258 1070277009 /nfs/dbraw/zinc/27/70/09/1070277009.db2.gz DSFFZMMSPKPGHI-MRXNPFEDSA-N 1 2 402.455 -0.965 20 0 HBADLO CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000556023732 1070277623 /nfs/dbraw/zinc/27/76/23/1070277623.db2.gz AGQNMBIGXSRZQM-IBGZPJMESA-N 1 2 415.494 -0.301 20 0 HBADLO CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000556023733 1070277499 /nfs/dbraw/zinc/27/74/99/1070277499.db2.gz AGQNMBIGXSRZQM-LJQANCHMSA-N 1 2 415.494 -0.301 20 0 HBADLO CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000556039965 1069587892 /nfs/dbraw/zinc/58/78/92/1069587892.db2.gz ZNMDSEGKYPJLKR-HNNXBMFYSA-N 1 2 406.487 -0.329 20 0 HBADLO CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000556039966 1069587803 /nfs/dbraw/zinc/58/78/03/1069587803.db2.gz ZNMDSEGKYPJLKR-OAHLLOKOSA-N 1 2 406.487 -0.329 20 0 HBADLO C[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000556041668 1070279301 /nfs/dbraw/zinc/27/93/01/1070279301.db2.gz FOIDVKFKYNKYRU-CVEARBPZSA-N 1 2 415.560 -0.682 20 0 HBADLO C[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000556041673 1070279153 /nfs/dbraw/zinc/27/91/53/1070279153.db2.gz FOIDVKFKYNKYRU-HOTGVXAUSA-N 1 2 415.560 -0.682 20 0 HBADLO C[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000556041674 1070279101 /nfs/dbraw/zinc/27/91/01/1070279101.db2.gz FOIDVKFKYNKYRU-HZPDHXFCSA-N 1 2 415.560 -0.682 20 0 HBADLO C[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000556041676 1070279384 /nfs/dbraw/zinc/27/93/84/1070279384.db2.gz FOIDVKFKYNKYRU-JKSUJKDBSA-N 1 2 415.560 -0.682 20 0 HBADLO NC(=O)C1(O)CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000556084067 1071871123 /nfs/dbraw/zinc/87/11/23/1071871123.db2.gz HKHVRAXQVRFCAD-UHFFFAOYSA-N 1 2 413.272 -0.184 20 0 HBADLO CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(O)(C(N)=O)CC2)ccc1Cl ZINC000556087443 1071867820 /nfs/dbraw/zinc/86/78/20/1071867820.db2.gz ROBUXUNBPWUSHA-UHFFFAOYSA-N 1 2 418.903 -0.159 20 0 HBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000556088297 1071868614 /nfs/dbraw/zinc/86/86/14/1071868614.db2.gz MCWGGAPOXDEVFI-KRWDZBQOSA-N 1 2 403.483 -0.359 20 0 HBADLO O=C(NCCNC(=O)c1cccnc1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000556088298 1071868541 /nfs/dbraw/zinc/86/85/41/1071868541.db2.gz MCWGGAPOXDEVFI-QGZVFWFLSA-N 1 2 403.483 -0.359 20 0 HBADLO CC(C)CCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000556095860 1071871554 /nfs/dbraw/zinc/87/15/54/1071871554.db2.gz NSKVWIIQCVGBGS-UHFFFAOYSA-N 1 2 403.549 -0.825 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556109760 1071878223 /nfs/dbraw/zinc/87/82/23/1071878223.db2.gz DHPPUXHMEOEANE-KRWDZBQOSA-N 1 2 421.517 -0.099 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000556109764 1071878260 /nfs/dbraw/zinc/87/82/60/1071878260.db2.gz DHPPUXHMEOEANE-QGZVFWFLSA-N 1 2 421.517 -0.099 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000556113969 1071879437 /nfs/dbraw/zinc/87/94/37/1071879437.db2.gz PVZRAMQMFIIUSD-MSOLQXFVSA-N 1 2 418.542 -0.455 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556113970 1071879385 /nfs/dbraw/zinc/87/93/85/1071879385.db2.gz PVZRAMQMFIIUSD-QZTJIDSGSA-N 1 2 418.542 -0.455 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556113971 1071879534 /nfs/dbraw/zinc/87/95/34/1071879534.db2.gz PVZRAMQMFIIUSD-ROUUACIJSA-N 1 2 418.542 -0.455 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556113973 1071879515 /nfs/dbraw/zinc/87/95/15/1071879515.db2.gz PVZRAMQMFIIUSD-ZWKOTPCHSA-N 1 2 418.542 -0.455 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000556114125 1071876982 /nfs/dbraw/zinc/87/69/82/1071876982.db2.gz RZUROEJINNOGAF-INIZCTEOSA-N 1 2 418.494 -0.143 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000556114125 1071876973 /nfs/dbraw/zinc/87/69/73/1071876973.db2.gz RZUROEJINNOGAF-INIZCTEOSA-N 1 2 418.494 -0.143 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000556114126 1071877010 /nfs/dbraw/zinc/87/70/10/1071877010.db2.gz RZUROEJINNOGAF-MRXNPFEDSA-N 1 2 418.494 -0.143 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000556114126 1071877007 /nfs/dbraw/zinc/87/70/07/1071877007.db2.gz RZUROEJINNOGAF-MRXNPFEDSA-N 1 2 418.494 -0.143 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000556114899 1071876952 /nfs/dbraw/zinc/87/69/52/1071876952.db2.gz MVDBAGREHCKSAN-UHFFFAOYSA-N 1 2 412.512 -0.608 20 0 HBADLO COCc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc(C(=O)OC)c1 ZINC000556137375 1071883851 /nfs/dbraw/zinc/88/38/51/1071883851.db2.gz OAUANSAMNNWVJW-KRWDZBQOSA-N 1 2 423.466 -0.290 20 0 HBADLO COCc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C(=O)OC)c1 ZINC000556137376 1071882493 /nfs/dbraw/zinc/88/24/93/1071882493.db2.gz OAUANSAMNNWVJW-QGZVFWFLSA-N 1 2 423.466 -0.290 20 0 HBADLO COCCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000556139455 1071882791 /nfs/dbraw/zinc/88/27/91/1071882791.db2.gz BKMHBQQNSNSINH-INIZCTEOSA-N 1 2 420.514 -0.059 20 0 HBADLO COCCCCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000556139455 1071882787 /nfs/dbraw/zinc/88/27/87/1071882787.db2.gz BKMHBQQNSNSINH-INIZCTEOSA-N 1 2 420.514 -0.059 20 0 HBADLO COCCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000556139456 1071882749 /nfs/dbraw/zinc/88/27/49/1071882749.db2.gz BKMHBQQNSNSINH-MRXNPFEDSA-N 1 2 420.514 -0.059 20 0 HBADLO COCCCCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000556139456 1071882743 /nfs/dbraw/zinc/88/27/43/1071882743.db2.gz BKMHBQQNSNSINH-MRXNPFEDSA-N 1 2 420.514 -0.059 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCC1CCC1 ZINC000556172061 1071889407 /nfs/dbraw/zinc/88/94/07/1071889407.db2.gz HHAORAHEKKRHKX-UHFFFAOYSA-N 1 2 409.512 -0.434 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCC12CCC2 ZINC000556182132 1071894084 /nfs/dbraw/zinc/89/40/84/1071894084.db2.gz RMVXYOOHLRNVJX-UHFFFAOYSA-N 1 2 421.523 -0.195 20 0 HBADLO CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCN1CCOC ZINC000556186051 1071891263 /nfs/dbraw/zinc/89/12/63/1071891263.db2.gz QYGMBPPJVDXGST-KRWDZBQOSA-N 1 2 411.547 -0.728 20 0 HBADLO CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC(=O)NC)CC2)CCN1CCOC ZINC000556186052 1071891533 /nfs/dbraw/zinc/89/15/33/1071891533.db2.gz QYGMBPPJVDXGST-QGZVFWFLSA-N 1 2 411.547 -0.728 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000556194345 1071895291 /nfs/dbraw/zinc/89/52/91/1071895291.db2.gz YKUSJDUKPWPUDV-IBGZPJMESA-N 1 2 419.501 -0.393 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000556194348 1071895326 /nfs/dbraw/zinc/89/53/26/1071895326.db2.gz YKUSJDUKPWPUDV-LJQANCHMSA-N 1 2 419.501 -0.393 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCn2cnnc2C1 ZINC000556194483 1068656186 /nfs/dbraw/zinc/65/61/86/1068656186.db2.gz YSMCFVOTAMFFSE-UHFFFAOYSA-N 1 2 401.446 -0.302 20 0 HBADLO COC[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000556195985 1071895032 /nfs/dbraw/zinc/89/50/32/1071895032.db2.gz NLKVNBNGLIGYHD-GOSISDBHSA-N 1 2 408.474 -0.062 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000556195986 1071895163 /nfs/dbraw/zinc/89/51/63/1071895163.db2.gz NLKVNBNGLIGYHD-SFHVURJKSA-N 1 2 408.474 -0.062 20 0 HBADLO NC(=O)c1cc(CNC(=O)C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)on1 ZINC000556196970 1071896021 /nfs/dbraw/zinc/89/60/21/1071896021.db2.gz HLUCDMMZPACJDL-UHFFFAOYSA-N 1 2 400.439 -0.672 20 0 HBADLO CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000556198693 1071896507 /nfs/dbraw/zinc/89/65/07/1071896507.db2.gz VUVIEUQXKZASMV-INIZCTEOSA-N 1 2 420.489 -0.406 20 0 HBADLO CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000556198694 1071896537 /nfs/dbraw/zinc/89/65/37/1071896537.db2.gz VUVIEUQXKZASMV-MRXNPFEDSA-N 1 2 420.489 -0.406 20 0 HBADLO O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000556199403 1071897965 /nfs/dbraw/zinc/89/79/65/1071897965.db2.gz KHKQPQWLYQKYOD-QZTJIDSGSA-N 1 2 417.485 -0.199 20 0 HBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000556199898 1071898100 /nfs/dbraw/zinc/89/81/00/1071898100.db2.gz YJIDDILLDKVKBL-KRWDZBQOSA-N 1 2 421.473 -0.963 20 0 HBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000556199899 1071897772 /nfs/dbraw/zinc/89/77/72/1071897772.db2.gz YJIDDILLDKVKBL-QGZVFWFLSA-N 1 2 421.473 -0.963 20 0 HBADLO Cc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)no1 ZINC000556207207 1071897039 /nfs/dbraw/zinc/89/70/39/1071897039.db2.gz QKRPIPHCMVSAQO-UHFFFAOYSA-N 1 2 415.454 -0.425 20 0 HBADLO Cc1cc(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)no1 ZINC000556207207 1071897021 /nfs/dbraw/zinc/89/70/21/1071897021.db2.gz QKRPIPHCMVSAQO-UHFFFAOYSA-N 1 2 415.454 -0.425 20 0 HBADLO CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000556224727 1071899915 /nfs/dbraw/zinc/89/99/15/1071899915.db2.gz ZXBYADHVAOFXAF-UHFFFAOYSA-N 1 2 412.494 -0.044 20 0 HBADLO O=C(CN1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1)N1CCOCC1 ZINC000556242407 1071901750 /nfs/dbraw/zinc/90/17/50/1071901750.db2.gz SJWVBJXZXWBIJJ-UHFFFAOYSA-N 1 2 418.498 -0.997 20 0 HBADLO C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000556242959 1071901710 /nfs/dbraw/zinc/90/17/10/1071901710.db2.gz UYTXEXIQJQEJKU-HNNXBMFYSA-N 1 2 402.499 -0.189 20 0 HBADLO C[C@H](C(=O)NC1CC1)N1CCN(C(=O)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000556242964 1071901654 /nfs/dbraw/zinc/90/16/54/1071901654.db2.gz UYTXEXIQJQEJKU-OAHLLOKOSA-N 1 2 402.499 -0.189 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000556244094 1071902280 /nfs/dbraw/zinc/90/22/80/1071902280.db2.gz WXFMKSDYZAZHAA-UHFFFAOYSA-N 1 2 411.528 -0.046 20 0 HBADLO CC[C@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000556252973 1071904627 /nfs/dbraw/zinc/90/46/27/1071904627.db2.gz FSJUMPCFQUORCH-INIZCTEOSA-N 1 2 403.483 -0.080 20 0 HBADLO CC[C@@H](NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCOCC1 ZINC000556252974 1071904561 /nfs/dbraw/zinc/90/45/61/1071904561.db2.gz FSJUMPCFQUORCH-MRXNPFEDSA-N 1 2 403.483 -0.080 20 0 HBADLO O=C(NCCCNc1cccc[nH+]1)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000556254371 1071904016 /nfs/dbraw/zinc/90/40/16/1071904016.db2.gz QXLIAQWRFIEHTP-UHFFFAOYSA-N 1 2 401.471 -0.099 20 0 HBADLO COCc1noc(CN2CCN(C(=O)C(=O)NCCCNc3cccc[nH+]3)CC2)n1 ZINC000556254674 1071903999 /nfs/dbraw/zinc/90/39/99/1071903999.db2.gz WHGAGCYBCKIKLH-UHFFFAOYSA-N 1 2 417.470 -0.126 20 0 HBADLO CCN(CCCNC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000556255358 1071903891 /nfs/dbraw/zinc/90/38/91/1071903891.db2.gz ZBTLBAYOVIITKD-UHFFFAOYSA-N 1 2 411.528 -0.046 20 0 HBADLO Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556268890 1071905795 /nfs/dbraw/zinc/90/57/95/1071905795.db2.gz JLAKFHRNHGJDSN-UHFFFAOYSA-N 1 2 414.470 -0.690 20 0 HBADLO Cc1n[nH]cc1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556268890 1071905789 /nfs/dbraw/zinc/90/57/89/1071905789.db2.gz JLAKFHRNHGJDSN-UHFFFAOYSA-N 1 2 414.470 -0.690 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000556269489 1071906480 /nfs/dbraw/zinc/90/64/80/1071906480.db2.gz NKXLCMXEKCLAQY-CVEARBPZSA-N 1 2 418.560 -0.466 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000556269493 1071906453 /nfs/dbraw/zinc/90/64/53/1071906453.db2.gz NKXLCMXEKCLAQY-HOTGVXAUSA-N 1 2 418.560 -0.466 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000556269494 1071906394 /nfs/dbraw/zinc/90/63/94/1071906394.db2.gz NKXLCMXEKCLAQY-HZPDHXFCSA-N 1 2 418.560 -0.466 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000556269495 1071906266 /nfs/dbraw/zinc/90/62/66/1071906266.db2.gz NKXLCMXEKCLAQY-JKSUJKDBSA-N 1 2 418.560 -0.466 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000556269545 1071906360 /nfs/dbraw/zinc/90/63/60/1071906360.db2.gz NRIAIBFCRDNSQE-UHFFFAOYSA-N 1 2 412.516 -0.779 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000556269744 1071906291 /nfs/dbraw/zinc/90/62/91/1071906291.db2.gz SWYXIIQZWPVLHI-UHFFFAOYSA-N 1 2 406.549 -0.657 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000556269744 1071906286 /nfs/dbraw/zinc/90/62/86/1071906286.db2.gz SWYXIIQZWPVLHI-UHFFFAOYSA-N 1 2 406.549 -0.657 20 0 HBADLO CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556274491 1071907717 /nfs/dbraw/zinc/90/77/17/1071907717.db2.gz WNWKNEMUDQMHGE-UHFFFAOYSA-N 1 2 418.542 -0.109 20 0 HBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000556281396 1071906983 /nfs/dbraw/zinc/90/69/83/1071906983.db2.gz ORHWRJDIMDUUEW-UHFFFAOYSA-N 1 2 404.515 -0.453 20 0 HBADLO Cn1ccc(N2CCC[C@H](NC(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)C2=O)n1 ZINC000556281415 1071906903 /nfs/dbraw/zinc/90/69/03/1071906903.db2.gz PBASAGPXIRDWPH-HNNXBMFYSA-N 1 2 413.482 -0.077 20 0 HBADLO Cn1ccc(N2CCC[C@@H](NC(=O)C(=O)NCCc3cn4c([nH+]3)CCCC4)C2=O)n1 ZINC000556281416 1071906807 /nfs/dbraw/zinc/90/68/07/1071906807.db2.gz PBASAGPXIRDWPH-OAHLLOKOSA-N 1 2 413.482 -0.077 20 0 HBADLO C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000556302563 1071908814 /nfs/dbraw/zinc/90/88/14/1071908814.db2.gz AMLDGIVDAITINJ-GFCCVEGCSA-N 1 2 406.530 -0.255 20 0 HBADLO C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1 ZINC000556302566 1071908876 /nfs/dbraw/zinc/90/88/76/1071908876.db2.gz AMLDGIVDAITINJ-LBPRGKRZSA-N 1 2 406.530 -0.255 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)NC3=O)ccc1C ZINC000556343778 1071915423 /nfs/dbraw/zinc/91/54/23/1071915423.db2.gz QASBIHULFKKHDY-UHFFFAOYSA-N 1 2 409.468 -0.484 20 0 HBADLO Cn1ncnc1[C@@H]1COCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000556431170 1071934014 /nfs/dbraw/zinc/93/40/14/1071934014.db2.gz YGIFHLROTMOBIY-HNNXBMFYSA-N 1 2 401.475 -0.490 20 0 HBADLO Cn1ncnc1[C@H]1COCCN1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000556431178 1071934080 /nfs/dbraw/zinc/93/40/80/1071934080.db2.gz YGIFHLROTMOBIY-OAHLLOKOSA-N 1 2 401.475 -0.490 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCOC[C@@H](C2CCC2)C1 ZINC000556485638 1069608119 /nfs/dbraw/zinc/60/81/19/1069608119.db2.gz PJCKYOVMSYGMPI-KRWDZBQOSA-N 1 2 405.499 0.429 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCOC[C@H](C2CCC2)C1 ZINC000556485639 1069608174 /nfs/dbraw/zinc/60/81/74/1069608174.db2.gz PJCKYOVMSYGMPI-QGZVFWFLSA-N 1 2 405.499 0.429 20 0 HBADLO CN(CC(N)=O)C(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000556509668 1071945579 /nfs/dbraw/zinc/94/55/79/1071945579.db2.gz MVTLAUAQQAHPNG-UHFFFAOYSA-N 1 2 424.461 -0.074 20 0 HBADLO COC(=O)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)OC ZINC000556547295 1071957042 /nfs/dbraw/zinc/95/70/42/1071957042.db2.gz YGDVWZVNPROZPD-KRWDZBQOSA-N 1 2 420.466 -0.407 20 0 HBADLO COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH+]1CCN(C(C)=O)CC1)OC ZINC000556547296 1071956956 /nfs/dbraw/zinc/95/69/56/1071956956.db2.gz YGDVWZVNPROZPD-QGZVFWFLSA-N 1 2 420.466 -0.407 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556554838 1071957964 /nfs/dbraw/zinc/95/79/64/1071957964.db2.gz IZUNNYNDQMLEIH-GFCCVEGCSA-N 1 2 408.430 -0.798 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC000556554842 1071958045 /nfs/dbraw/zinc/95/80/45/1071958045.db2.gz IZUNNYNDQMLEIH-LBPRGKRZSA-N 1 2 408.430 -0.798 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1c(I)cnn1C ZINC000556556907 1071959182 /nfs/dbraw/zinc/95/91/82/1071959182.db2.gz BWOFSMWHRYHFHI-JTQLQIEISA-N 1 2 408.240 -0.210 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1c(I)cnn1C ZINC000556556908 1071959136 /nfs/dbraw/zinc/95/91/36/1071959136.db2.gz BWOFSMWHRYHFHI-SNVBAGLBSA-N 1 2 408.240 -0.210 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)CC1 ZINC000556560606 1071959095 /nfs/dbraw/zinc/95/90/95/1071959095.db2.gz JCOHPNLCXRAOKO-UHFFFAOYSA-N 1 2 419.482 -0.637 20 0 HBADLO COc1ccc(NC(=O)C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000556563582 1069640947 /nfs/dbraw/zinc/64/09/47/1069640947.db2.gz LZSJKBGFCJQNRY-UHFFFAOYSA-N 1 2 413.438 -0.326 20 0 HBADLO O=C(NCc1nccs1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000556587906 1071964183 /nfs/dbraw/zinc/96/41/83/1071964183.db2.gz XCNKUCBGFNMMEW-UHFFFAOYSA-N 1 2 417.495 -0.265 20 0 HBADLO O=C(NCc1nccs1)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000556587906 1071964175 /nfs/dbraw/zinc/96/41/75/1071964175.db2.gz XCNKUCBGFNMMEW-UHFFFAOYSA-N 1 2 417.495 -0.265 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)C(=O)NC[C@H]2CC[C@@H](CO)O2)CC1 ZINC000556593672 1071965799 /nfs/dbraw/zinc/96/57/99/1071965799.db2.gz HYEPTBJRQJXUJG-MSOLQXFVSA-N 1 2 418.494 -0.055 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000556625033 1071970692 /nfs/dbraw/zinc/97/06/92/1071970692.db2.gz BLQCEMJZAAOXLI-AWEZNQCLSA-N 1 2 409.512 -0.041 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000556625033 1071970686 /nfs/dbraw/zinc/97/06/86/1071970686.db2.gz BLQCEMJZAAOXLI-AWEZNQCLSA-N 1 2 409.512 -0.041 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000556625034 1071970726 /nfs/dbraw/zinc/97/07/26/1071970726.db2.gz BLQCEMJZAAOXLI-CQSZACIVSA-N 1 2 409.512 -0.041 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000556625034 1071970722 /nfs/dbraw/zinc/97/07/22/1071970722.db2.gz BLQCEMJZAAOXLI-CQSZACIVSA-N 1 2 409.512 -0.041 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556627909 1071968992 /nfs/dbraw/zinc/96/89/92/1071968992.db2.gz WZEDYQDNQNQEDD-UHFFFAOYSA-N 1 2 422.530 -0.543 20 0 HBADLO O=C(NCc1ccccc1-n1cc[nH+]c1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556637377 1071973182 /nfs/dbraw/zinc/97/31/82/1071973182.db2.gz ARXQIEAKQYNYDZ-UHFFFAOYSA-N 1 2 424.461 -0.562 20 0 HBADLO C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556643030 1071975794 /nfs/dbraw/zinc/97/57/94/1071975794.db2.gz YRSWDNCPWUDBSR-KRWDZBQOSA-N 1 2 404.515 -0.065 20 0 HBADLO C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000556643031 1071975713 /nfs/dbraw/zinc/97/57/13/1071975713.db2.gz YRSWDNCPWUDBSR-QGZVFWFLSA-N 1 2 404.515 -0.065 20 0 HBADLO CNC(=O)COc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000556960295 1072018303 /nfs/dbraw/zinc/01/83/03/1072018303.db2.gz MSDDCJOWMVXKMC-KRWDZBQOSA-N 1 2 418.494 -0.392 20 0 HBADLO CNC(=O)COc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000556960299 1072018472 /nfs/dbraw/zinc/01/84/72/1072018472.db2.gz MSDDCJOWMVXKMC-QGZVFWFLSA-N 1 2 418.494 -0.392 20 0 HBADLO CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000556963430 1072019387 /nfs/dbraw/zinc/01/93/87/1072019387.db2.gz RKEALVHNRAUYPM-CVEARBPZSA-N 1 2 401.529 -0.550 20 0 HBADLO CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000556963431 1072019292 /nfs/dbraw/zinc/01/92/92/1072019292.db2.gz RKEALVHNRAUYPM-HOTGVXAUSA-N 1 2 401.529 -0.550 20 0 HBADLO CS(=O)(=O)C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000556963432 1072019193 /nfs/dbraw/zinc/01/91/93/1072019193.db2.gz RKEALVHNRAUYPM-HZPDHXFCSA-N 1 2 401.529 -0.550 20 0 HBADLO CS(=O)(=O)C[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000556963433 1072019315 /nfs/dbraw/zinc/01/93/15/1072019315.db2.gz RKEALVHNRAUYPM-JKSUJKDBSA-N 1 2 401.529 -0.550 20 0 HBADLO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556983724 1072020727 /nfs/dbraw/zinc/02/07/27/1072020727.db2.gz ALQMHZUHIBBLEQ-DLBZAZTESA-N 1 2 416.526 -0.165 20 0 HBADLO C[C@H](CN1CCCC1=O)NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556983731 1072020602 /nfs/dbraw/zinc/02/06/02/1072020602.db2.gz ALQMHZUHIBBLEQ-IAGOWNOFSA-N 1 2 416.526 -0.165 20 0 HBADLO C[C@@H](CN1CCCC1=O)NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000556983733 1072020826 /nfs/dbraw/zinc/02/08/26/1072020826.db2.gz ALQMHZUHIBBLEQ-IRXDYDNUSA-N 1 2 416.526 -0.165 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000556983735 1072020675 /nfs/dbraw/zinc/02/06/75/1072020675.db2.gz ALQMHZUHIBBLEQ-SJORKVTESA-N 1 2 416.526 -0.165 20 0 HBADLO CCn1ncnc1CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557021630 1072026406 /nfs/dbraw/zinc/02/64/06/1072026406.db2.gz GFDPNNXWNFGXQP-UHFFFAOYSA-N 1 2 416.482 -0.058 20 0 HBADLO CCN(C)C(=O)CNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000557021733 1072026328 /nfs/dbraw/zinc/02/63/28/1072026328.db2.gz UXHZTVREVXDBLP-UHFFFAOYSA-N 1 2 406.483 -0.392 20 0 HBADLO CCn1ncnc1CNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557022039 1072026677 /nfs/dbraw/zinc/02/66/77/1072026677.db2.gz WIBJWMXVNQJDEX-UHFFFAOYSA-N 1 2 416.482 -0.058 20 0 HBADLO C[C@@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557022107 1072026815 /nfs/dbraw/zinc/02/68/15/1072026815.db2.gz YKNPIEXNJRSBBH-INIZCTEOSA-N 1 2 416.482 -0.190 20 0 HBADLO C[C@H](Cn1cncn1)NC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000557022108 1072026732 /nfs/dbraw/zinc/02/67/32/1072026732.db2.gz YKNPIEXNJRSBBH-MRXNPFEDSA-N 1 2 416.482 -0.190 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000557022869 1072026389 /nfs/dbraw/zinc/02/63/89/1072026389.db2.gz RUMFKBXYGLTKPY-AEFFLSMTSA-N 1 2 421.494 -0.378 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000557022873 1072026306 /nfs/dbraw/zinc/02/63/06/1072026306.db2.gz RUMFKBXYGLTKPY-FUHWJXTLSA-N 1 2 421.494 -0.378 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@H](CO)O1 ZINC000557022877 1072026998 /nfs/dbraw/zinc/02/69/98/1072026998.db2.gz RUMFKBXYGLTKPY-SJLPKXTDSA-N 1 2 421.494 -0.378 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)C[C@@H](CO)O1 ZINC000557022880 1072026974 /nfs/dbraw/zinc/02/69/74/1072026974.db2.gz RUMFKBXYGLTKPY-WMZOPIPTSA-N 1 2 421.494 -0.378 20 0 HBADLO CNS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)CC1 ZINC000557036162 1072029173 /nfs/dbraw/zinc/02/91/73/1072029173.db2.gz WBFCHECRFLGTRO-UHFFFAOYSA-N 1 2 409.512 -0.355 20 0 HBADLO CNS(=O)(=O)N1CCC(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)CC1 ZINC000557036162 1072029170 /nfs/dbraw/zinc/02/91/70/1072029170.db2.gz WBFCHECRFLGTRO-UHFFFAOYSA-N 1 2 409.512 -0.355 20 0 HBADLO O=C(NCc1cccnc1)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000557037710 1068400101 /nfs/dbraw/zinc/40/01/01/1068400101.db2.gz 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Nc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)n1 ZINC000558230140 1069696341 /nfs/dbraw/zinc/69/63/41/1069696341.db2.gz QRLPWHCPRNQXOO-KBPBESRZSA-N 1 2 423.543 -0.472 20 0 HBADLO Nc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)n1 ZINC000558230144 1069696298 /nfs/dbraw/zinc/69/62/98/1069696298.db2.gz QRLPWHCPRNQXOO-UONOGXRCSA-N 1 2 423.543 -0.472 20 0 HBADLO Nc1nsc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)n1 ZINC000558230209 1069695273 /nfs/dbraw/zinc/69/52/73/1069695273.db2.gz QRLPWHCPRNQXOO-ZIAGYGMSSA-N 1 2 423.543 -0.472 20 0 HBADLO CC(C)N1CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1=O ZINC000558331395 1068476033 /nfs/dbraw/zinc/47/60/33/1068476033.db2.gz KRDUBKYYRQANTJ-SJORKVTESA-N 1 2 416.526 -0.166 20 0 HBADLO CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000558374566 1069656582 /nfs/dbraw/zinc/65/65/82/1069656582.db2.gz WVJRWLWKXKJCEE-HNNXBMFYSA-N 1 2 414.532 0.151 20 0 HBADLO CC[C@@H](C(=O)OC)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000558375118 1069640926 /nfs/dbraw/zinc/64/09/26/1069640926.db2.gz ZDKGPZKGMWZRDW-INIZCTEOSA-N 1 2 408.503 0.316 20 0 HBADLO Cn1cc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(=O)n(C)c1=O ZINC000558425270 1068481307 /nfs/dbraw/zinc/48/13/07/1068481307.db2.gz WHWOLSUXKCNGKV-UHFFFAOYSA-N 1 2 400.439 -0.454 20 0 HBADLO CC(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000559552097 1068662533 /nfs/dbraw/zinc/66/25/33/1068662533.db2.gz SACIUYQTUFKHIH-NUJGCVRESA-N 1 2 420.514 -0.671 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC(=O)N[C@H]1c1cnn(C)c1)[NH+]1CCOCC1 ZINC000559552098 1068662589 /nfs/dbraw/zinc/66/25/89/1068662589.db2.gz SACIUYQTUFKHIH-RYRKJORJSA-N 1 2 420.514 -0.671 20 0 HBADLO CCOC1CC(CNC(=O)N2CCN(CC(=O)NC3CC3)CC2)([NH+]2CCOCC2)C1 ZINC000559953676 1068688854 /nfs/dbraw/zinc/68/88/54/1068688854.db2.gz VMOQNQCAEBDZNG-UHFFFAOYSA-N 1 2 423.558 -0.138 20 0 HBADLO COc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)nn1 ZINC000560169631 1069640979 /nfs/dbraw/zinc/64/09/79/1069640979.db2.gz GOIZEOPLRFIUHB-UHFFFAOYSA-N 1 2 402.430 0.501 20 0 HBADLO COc1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000560221188 1068701764 /nfs/dbraw/zinc/70/17/64/1068701764.db2.gz WSUTZSQBYSAQDL-UHFFFAOYSA-N 1 2 417.919 -0.006 20 0 HBADLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)c2)CC1 ZINC000560251178 1068703997 /nfs/dbraw/zinc/70/39/97/1068703997.db2.gz JNXVPBJFDDBNKL-MOPGFXCFSA-N 1 2 418.494 -0.055 20 0 HBADLO CC[C@@H]1COCCN1C(=O)C(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000560916469 1068742506 /nfs/dbraw/zinc/74/25/06/1068742506.db2.gz ADKZXAPBXPSNRU-MRXNPFEDSA-N 1 2 403.483 -0.126 20 0 HBADLO COC(=O)c1cc(C)nc(NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000561118329 1069590126 /nfs/dbraw/zinc/59/01/26/1069590126.db2.gz LPVLAKAYDZCXTK-UHFFFAOYSA-N 1 2 420.495 0.531 20 0 HBADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@@H]1[C@H]1CCCO1 ZINC000562149711 1069584893 /nfs/dbraw/zinc/58/48/93/1069584893.db2.gz GDRAIPSHOQJSOZ-NVXWUHKLSA-N 1 2 405.499 0.570 20 0 HBADLO CC1(C)CN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[C@H]1[C@@H]1CCCO1 ZINC000562149712 1069584783 /nfs/dbraw/zinc/58/47/83/1069584783.db2.gz GDRAIPSHOQJSOZ-RDJZCZTQSA-N 1 2 405.499 0.570 20 0 HBADLO O=C(CN1CCN(C(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1)NC1CC1 ZINC000562159612 1068831356 /nfs/dbraw/zinc/83/13/56/1068831356.db2.gz YKHDXAACZBGYRM-UHFFFAOYSA-N 1 2 410.478 -0.089 20 0 HBADLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000562216122 1069544306 /nfs/dbraw/zinc/54/43/06/1069544306.db2.gz MZCTUKJIOCAYGJ-CVEARBPZSA-N 1 2 406.487 0.069 20 0 HBADLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000562216123 1069561619 /nfs/dbraw/zinc/56/16/19/1069561619.db2.gz MZCTUKJIOCAYGJ-HOTGVXAUSA-N 1 2 406.487 0.069 20 0 HBADLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000562216124 1069542755 /nfs/dbraw/zinc/54/27/55/1069542755.db2.gz MZCTUKJIOCAYGJ-HZPDHXFCSA-N 1 2 406.487 0.069 20 0 HBADLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000562216125 1069561097 /nfs/dbraw/zinc/56/10/97/1069561097.db2.gz MZCTUKJIOCAYGJ-JKSUJKDBSA-N 1 2 406.487 0.069 20 0 HBADLO COC(=O)Cc1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000562576035 1069584805 /nfs/dbraw/zinc/58/48/05/1069584805.db2.gz QAPIJXVEXQDIRC-UHFFFAOYSA-N 1 2 415.450 0.508 20 0 HBADLO Cc1cnn([C@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)c1 ZINC000563250224 1069646303 /nfs/dbraw/zinc/64/63/03/1069646303.db2.gz VDBRGLJCAWQNDO-INIZCTEOSA-N 1 2 401.471 0.132 20 0 HBADLO Cc1cnn([C@@H]2CCN(C(=O)C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)C2)c1 ZINC000563250226 1069646342 /nfs/dbraw/zinc/64/63/42/1069646342.db2.gz VDBRGLJCAWQNDO-MRXNPFEDSA-N 1 2 401.471 0.132 20 0 HBADLO C[C@@H]1C[N@H+](CCN(C)C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H](C)O1 ZINC000563257147 1068659846 /nfs/dbraw/zinc/65/98/46/1068659846.db2.gz HUJLIPLQNMBSBV-IYBDPMFKSA-N 1 2 422.530 -0.545 20 0 HBADLO C[C@@H]1C[N@@H+](CCN(C)C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)C[C@H](C)O1 ZINC000563257147 1068659841 /nfs/dbraw/zinc/65/98/41/1068659841.db2.gz HUJLIPLQNMBSBV-IYBDPMFKSA-N 1 2 422.530 -0.545 20 0 HBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)Nc3ccn(CC(N)=O)n3)cc2)CC1 ZINC000563485284 1069616294 /nfs/dbraw/zinc/61/62/94/1069616294.db2.gz PBLFYVHJNCXQFW-UHFFFAOYSA-N 1 2 413.482 0.083 20 0 HBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 ZINC000563504534 1069393270 /nfs/dbraw/zinc/39/32/70/1069393270.db2.gz OIFOBODDVONABQ-UHFFFAOYSA-N 1 2 409.531 -0.482 20 0 HBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)NCCCN2CCCC2=O)CC1 ZINC000563504534 1069393258 /nfs/dbraw/zinc/39/32/58/1069393258.db2.gz OIFOBODDVONABQ-UHFFFAOYSA-N 1 2 409.531 -0.482 20 0 HBADLO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000563974968 1068916449 /nfs/dbraw/zinc/91/64/49/1068916449.db2.gz TVMJMHAJFQQHBV-OAHLLOKOSA-N 1 2 420.514 -0.399 20 0 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CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000571563579 1070722172 /nfs/dbraw/zinc/72/21/72/1070722172.db2.gz IYSMCHHOAJODPI-JKSUJKDBSA-N 1 2 409.531 -0.580 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1 ZINC000571568746 1070722017 /nfs/dbraw/zinc/72/20/17/1070722017.db2.gz QYYJDAFSJYWBEC-WBVHZDCISA-N 1 2 406.487 -0.963 20 0 HBADLO COc1c[nH+]c(NCC2(C(N)=O)CCOCC2)nc1NCC1(C(N)=O)CCOCC1 ZINC000571628762 1070723170 /nfs/dbraw/zinc/72/31/70/1070723170.db2.gz SDAMGJGXKIRWBL-UHFFFAOYSA-N 1 2 422.486 -0.127 20 0 HBADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571803677 1070734505 /nfs/dbraw/zinc/73/45/05/1070734505.db2.gz MAWXHCAVXWSZTQ-DOTOQJQBSA-N 1 2 416.526 -0.094 20 0 HBADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571803678 1070734276 /nfs/dbraw/zinc/73/42/76/1070734276.db2.gz MAWXHCAVXWSZTQ-NVXWUHKLSA-N 1 2 416.526 -0.094 20 0 HBADLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571803679 1070734388 /nfs/dbraw/zinc/73/43/88/1070734388.db2.gz MAWXHCAVXWSZTQ-RDJZCZTQSA-N 1 2 416.526 -0.094 20 0 HBADLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571803680 1070734480 /nfs/dbraw/zinc/73/44/80/1070734480.db2.gz MAWXHCAVXWSZTQ-WBVHZDCISA-N 1 2 416.526 -0.094 20 0 HBADLO CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000572130275 1070751228 /nfs/dbraw/zinc/75/12/28/1070751228.db2.gz DPLGDTLWDIIOOB-UHFFFAOYSA-N 1 2 417.491 -0.045 20 0 HBADLO CN(C)c1nccc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000572559459 1072143236 /nfs/dbraw/zinc/14/32/36/1072143236.db2.gz JNNRJRFGEHMCHS-UHFFFAOYSA-N 1 2 424.469 -0.816 20 0 HBADLO CN(C)c1cccc(CNC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000572638546 1070780432 /nfs/dbraw/zinc/78/04/32/1070780432.db2.gz KTRVTTYYLDEERF-UHFFFAOYSA-N 1 2 423.481 -0.211 20 0 HBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(-n2ccnn2)cc1 ZINC000572682508 1070782042 /nfs/dbraw/zinc/78/20/42/1070782042.db2.gz IPUSCCPIRDTPQC-CRAIPNDOSA-N 1 2 416.482 -0.404 20 0 HBADLO C[C@H](NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccc(-n2ccnn2)cc1 ZINC000572682509 1070782188 /nfs/dbraw/zinc/78/21/88/1070782188.db2.gz IPUSCCPIRDTPQC-MAUKXSAKSA-N 1 2 416.482 -0.404 20 0 HBADLO C[C@@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(-n2ccnn2)cc1 ZINC000572682510 1070782169 /nfs/dbraw/zinc/78/21/69/1070782169.db2.gz IPUSCCPIRDTPQC-QAPCUYQASA-N 1 2 416.482 -0.404 20 0 HBADLO C[C@H](NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccc(-n2ccnn2)cc1 ZINC000572682511 1070782067 /nfs/dbraw/zinc/78/20/67/1070782067.db2.gz IPUSCCPIRDTPQC-YJBOKZPZSA-N 1 2 416.482 -0.404 20 0 HBADLO Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH+]1CCN(C(=O)Cn2cnnn2)CC1 ZINC000572801866 1070783683 /nfs/dbraw/zinc/78/36/83/1070783683.db2.gz DFCDEHWJKLRXHP-UHFFFAOYSA-N 1 2 404.475 -0.218 20 0 HBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000572847445 1070785472 /nfs/dbraw/zinc/78/54/72/1070785472.db2.gz BGFVVOAIMSXCMP-UHFFFAOYSA-N 1 2 406.549 -0.657 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nn(C)c2ccccc12 ZINC000572882382 1070785100 /nfs/dbraw/zinc/78/51/00/1070785100.db2.gz QYBFAMQBZDZVIO-HNNXBMFYSA-N 1 2 403.483 -0.617 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nn(C)c2ccccc12 ZINC000572882383 1070784989 /nfs/dbraw/zinc/78/49/89/1070784989.db2.gz QYBFAMQBZDZVIO-OAHLLOKOSA-N 1 2 403.483 -0.617 20 0 HBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)o1 ZINC000572932115 1070816012 /nfs/dbraw/zinc/81/60/12/1070816012.db2.gz HZADFRCDTRYKBB-CHWSQXEVSA-N 1 2 414.484 -0.584 20 0 HBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)o1 ZINC000572932116 1070815803 /nfs/dbraw/zinc/81/58/03/1070815803.db2.gz HZADFRCDTRYKBB-OLZOCXBDSA-N 1 2 414.484 -0.584 20 0 HBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)o1 ZINC000572932117 1070816159 /nfs/dbraw/zinc/81/61/59/1070816159.db2.gz HZADFRCDTRYKBB-QWHCGFSZSA-N 1 2 414.484 -0.584 20 0 HBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)o1 ZINC000572932118 1070815894 /nfs/dbraw/zinc/81/58/94/1070815894.db2.gz HZADFRCDTRYKBB-STQMWFEESA-N 1 2 414.484 -0.584 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000573023238 1070835982 /nfs/dbraw/zinc/83/59/82/1070835982.db2.gz FYWITQLVTQQUHT-UHFFFAOYSA-N 1 2 423.499 -0.702 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2n(n1)CCO2 ZINC000573023270 1070835666 /nfs/dbraw/zinc/83/56/66/1070835666.db2.gz IBNVWHDPFCCZAU-UHFFFAOYSA-N 1 2 406.468 -0.448 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccncc1OCC(F)F ZINC000573046137 1070837187 /nfs/dbraw/zinc/83/71/87/1070837187.db2.gz RLQHPCPVJMFKIN-AWEZNQCLSA-N 1 2 416.425 -0.507 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccncc1OCC(F)F ZINC000573046138 1070837722 /nfs/dbraw/zinc/83/77/22/1070837722.db2.gz RLQHPCPVJMFKIN-CQSZACIVSA-N 1 2 416.425 -0.507 20 0 HBADLO CCn1c(=O)c(C(=O)C[N@@H+](CCO)C[C@H](C)O)c(N)n(Cc2ccccc2)c1=O ZINC000573169610 1070855969 /nfs/dbraw/zinc/85/59/69/1070855969.db2.gz LZWCYRXZEOXRBQ-AWEZNQCLSA-N 1 2 404.467 -0.482 20 0 HBADLO CCn1c(=O)c(C(=O)C[N@H+](CCO)C[C@H](C)O)c(N)n(Cc2ccccc2)c1=O ZINC000573169610 1070855939 /nfs/dbraw/zinc/85/59/39/1070855939.db2.gz LZWCYRXZEOXRBQ-AWEZNQCLSA-N 1 2 404.467 -0.482 20 0 HBADLO CCn1c(=O)c(C(=O)C[N@@H+](CCO)C[C@@H](C)O)c(N)n(Cc2ccccc2)c1=O ZINC000573169611 1070855684 /nfs/dbraw/zinc/85/56/84/1070855684.db2.gz LZWCYRXZEOXRBQ-CQSZACIVSA-N 1 2 404.467 -0.482 20 0 HBADLO CCn1c(=O)c(C(=O)C[N@H+](CCO)C[C@@H](C)O)c(N)n(Cc2ccccc2)c1=O ZINC000573169611 1070855653 /nfs/dbraw/zinc/85/56/53/1070855653.db2.gz LZWCYRXZEOXRBQ-CQSZACIVSA-N 1 2 404.467 -0.482 20 0 HBADLO O=C(CNS(=O)(=O)c1cccs1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573245437 1070861560 /nfs/dbraw/zinc/86/15/60/1070861560.db2.gz FHWQRRYVQBRPAA-CYBMUJFWSA-N 1 2 416.525 -0.924 20 0 HBADLO O=C(CNS(=O)(=O)c1cccs1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000573245438 1070860849 /nfs/dbraw/zinc/86/08/49/1070860849.db2.gz FHWQRRYVQBRPAA-ZDUSSCGKSA-N 1 2 416.525 -0.924 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000573599473 1070879774 /nfs/dbraw/zinc/87/97/74/1070879774.db2.gz FITDHWIXZAJTFP-CXAGYDPISA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000573599473 1070879751 /nfs/dbraw/zinc/87/97/51/1070879751.db2.gz FITDHWIXZAJTFP-CXAGYDPISA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000573599474 1070880294 /nfs/dbraw/zinc/88/02/94/1070880294.db2.gz FITDHWIXZAJTFP-DYVFJYSZSA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000573599474 1070880274 /nfs/dbraw/zinc/88/02/74/1070880274.db2.gz FITDHWIXZAJTFP-DYVFJYSZSA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000573599556 1070879564 /nfs/dbraw/zinc/87/95/64/1070879564.db2.gz FITDHWIXZAJTFP-GUYCJALGSA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000573599556 1070879538 /nfs/dbraw/zinc/87/95/38/1070879538.db2.gz FITDHWIXZAJTFP-GUYCJALGSA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573599557 1070879167 /nfs/dbraw/zinc/87/91/67/1070879167.db2.gz FITDHWIXZAJTFP-SUMWQHHRSA-N 1 2 414.528 -0.206 20 0 HBADLO CCN(CC)c1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573599557 1070879142 /nfs/dbraw/zinc/87/91/42/1070879142.db2.gz FITDHWIXZAJTFP-SUMWQHHRSA-N 1 2 414.528 -0.206 20 0 HBADLO COC[C@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000573690183 1070885411 /nfs/dbraw/zinc/88/54/11/1070885411.db2.gz UCYIVJVHRSSRTR-GOSISDBHSA-N 1 2 421.494 -0.112 20 0 HBADLO COC[C@@H]1CN(C(=O)C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CCO1 ZINC000573690184 1070885444 /nfs/dbraw/zinc/88/54/44/1070885444.db2.gz UCYIVJVHRSSRTR-SFHVURJKSA-N 1 2 421.494 -0.112 20 0 HBADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000573732223 1070885148 /nfs/dbraw/zinc/88/51/48/1070885148.db2.gz AHTVDPMXOPMYDN-MOPGFXCFSA-N 1 2 418.519 -0.224 20 0 HBADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC000573732234 1070885477 /nfs/dbraw/zinc/88/54/77/1070885477.db2.gz AHTVDPMXOPMYDN-OALUTQOASA-N 1 2 418.519 -0.224 20 0 HBADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000573732236 1070885594 /nfs/dbraw/zinc/88/55/94/1070885594.db2.gz AHTVDPMXOPMYDN-RBUKOAKNSA-N 1 2 418.519 -0.224 20 0 HBADLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000573732239 1070885360 /nfs/dbraw/zinc/88/53/60/1070885360.db2.gz AHTVDPMXOPMYDN-RTBURBONSA-N 1 2 418.519 -0.224 20 0 HBADLO COc1cccc(C(=O)NCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000573987787 1070897291 /nfs/dbraw/zinc/89/72/91/1070897291.db2.gz AUSQVLVLYBTOKJ-KRWDZBQOSA-N 1 2 418.494 -0.278 20 0 HBADLO COc1cccc(C(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000573987788 1070897433 /nfs/dbraw/zinc/89/74/33/1070897433.db2.gz AUSQVLVLYBTOKJ-QGZVFWFLSA-N 1 2 418.494 -0.278 20 0 HBADLO O=C(N[C@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000574094184 1070905027 /nfs/dbraw/zinc/90/50/27/1070905027.db2.gz CDIWOBVFGCGBFU-AWEZNQCLSA-N 1 2 418.479 -0.758 20 0 HBADLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)C(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000574094185 1070905201 /nfs/dbraw/zinc/90/52/01/1070905201.db2.gz CDIWOBVFGCGBFU-CQSZACIVSA-N 1 2 418.479 -0.758 20 0 HBADLO O=C(NCCNC(=O)c1cnccn1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000574143387 1070907850 /nfs/dbraw/zinc/90/78/50/1070907850.db2.gz QDTCTHCVEKRQCJ-UHFFFAOYSA-N 1 2 407.434 -0.116 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCCc1nc(C(F)(F)F)cs1 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/nfs/dbraw/zinc/92/79/11/1070927911.db2.gz DJKCWNJSOMYAFA-MRXNPFEDSA-N 1 2 415.498 -0.074 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@H](C)C1 ZINC000574506764 1070932409 /nfs/dbraw/zinc/93/24/09/1070932409.db2.gz YZCJRUGMCINYGM-CHWSQXEVSA-N 1 2 408.421 -0.165 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@H](C)C1 ZINC000574506764 1070932400 /nfs/dbraw/zinc/93/24/00/1070932400.db2.gz YZCJRUGMCINYGM-CHWSQXEVSA-N 1 2 408.421 -0.165 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)[C@H](C)C1 ZINC000574506765 1070932110 /nfs/dbraw/zinc/93/21/10/1070932110.db2.gz YZCJRUGMCINYGM-OLZOCXBDSA-N 1 2 408.421 -0.165 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2)[C@H](C)C1 ZINC000574506765 1070932090 /nfs/dbraw/zinc/93/20/90/1070932090.db2.gz YZCJRUGMCINYGM-OLZOCXBDSA-N 1 2 408.421 -0.165 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)[C@@H](C)C1 ZINC000574506766 1070932258 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Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000582923719 1068740015 /nfs/dbraw/zinc/74/00/15/1068740015.db2.gz YRHRVIHBCSCSEA-MOPGFXCFSA-N 1 2 418.542 -0.176 20 0 HBADLO Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000582923720 1068739708 /nfs/dbraw/zinc/73/97/08/1068739708.db2.gz YRHRVIHBCSCSEA-OALUTQOASA-N 1 2 418.542 -0.176 20 0 HBADLO Cn1cc(CN2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000582923721 1068739956 /nfs/dbraw/zinc/73/99/56/1068739956.db2.gz YRHRVIHBCSCSEA-RBUKOAKNSA-N 1 2 418.542 -0.176 20 0 HBADLO Cn1cc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3[NH+]3CCOCC3)CC2)cn1 ZINC000582923722 1068739881 /nfs/dbraw/zinc/73/98/81/1068739881.db2.gz YRHRVIHBCSCSEA-RTBURBONSA-N 1 2 418.542 -0.176 20 0 HBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNS(=O)(=O)NC(C)C ZINC000582936641 1068741859 /nfs/dbraw/zinc/74/18/59/1068741859.db2.gz QEQVUODWHQMLRR-AWEZNQCLSA-N 1 2 402.521 -0.568 20 0 HBADLO 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ZINC000583107130 1068758446 /nfs/dbraw/zinc/75/84/46/1068758446.db2.gz MNWIIRAIVDADQL-HNNXBMFYSA-N 1 2 410.421 -0.023 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2=O)CC1 ZINC000583107135 1068758645 /nfs/dbraw/zinc/75/86/45/1068758645.db2.gz MNWIIRAIVDADQL-OAHLLOKOSA-N 1 2 410.421 -0.023 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 ZINC000583110534 1068759190 /nfs/dbraw/zinc/75/91/90/1068759190.db2.gz JNXBFOJGQWIMBF-DZGCQCFKSA-N 1 2 401.471 -0.321 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 ZINC000583110535 1068759054 /nfs/dbraw/zinc/75/90/54/1068759054.db2.gz JNXBFOJGQWIMBF-HIFRSBDPSA-N 1 2 401.471 -0.321 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 ZINC000583110536 1068759107 /nfs/dbraw/zinc/75/91/07/1068759107.db2.gz JNXBFOJGQWIMBF-UKRRQHHQSA-N 1 2 401.471 -0.321 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]2CCO)CC1 ZINC000583110537 1068759338 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COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000588781509 1070752459 /nfs/dbraw/zinc/75/24/59/1070752459.db2.gz STDMLIUIKUVHKU-DOTOQJQBSA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000588781511 1070752745 /nfs/dbraw/zinc/75/27/45/1070752745.db2.gz STDMLIUIKUVHKU-NVXWUHKLSA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000588781511 1070752738 /nfs/dbraw/zinc/75/27/38/1070752738.db2.gz STDMLIUIKUVHKU-NVXWUHKLSA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000588781512 1070752623 /nfs/dbraw/zinc/75/26/23/1070752623.db2.gz STDMLIUIKUVHKU-RDJZCZTQSA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@@H](C)C1 ZINC000588781512 1070752614 /nfs/dbraw/zinc/75/26/14/1070752614.db2.gz STDMLIUIKUVHKU-RDJZCZTQSA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000588781513 1070752367 /nfs/dbraw/zinc/75/23/67/1070752367.db2.gz STDMLIUIKUVHKU-WBVHZDCISA-N 1 2 422.526 -0.011 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)[C@H](C)C1 ZINC000588781513 1070752352 /nfs/dbraw/zinc/75/23/52/1070752352.db2.gz STDMLIUIKUVHKU-WBVHZDCISA-N 1 2 422.526 -0.011 20 0 HBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000588830265 1070756861 /nfs/dbraw/zinc/75/68/61/1070756861.db2.gz STFXOGOBXLZKLI-INIZCTEOSA-N 1 2 424.523 -0.352 20 0 HBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000588830265 1070756852 /nfs/dbraw/zinc/75/68/52/1070756852.db2.gz STFXOGOBXLZKLI-INIZCTEOSA-N 1 2 424.523 -0.352 20 0 HBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)cc1 ZINC000588830274 1070756987 /nfs/dbraw/zinc/75/69/87/1070756987.db2.gz STFXOGOBXLZKLI-MRXNPFEDSA-N 1 2 424.523 -0.352 20 0 HBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)cc1 ZINC000588830274 1070756978 /nfs/dbraw/zinc/75/69/78/1070756978.db2.gz STFXOGOBXLZKLI-MRXNPFEDSA-N 1 2 424.523 -0.352 20 0 HBADLO O=C(CN1CCN(C(=O)C[NH+]2CCN(c3ccccc3)CC2)CC1)N1CCOCC1 ZINC000589031703 1068978838 /nfs/dbraw/zinc/97/88/38/1068978838.db2.gz ZEWLXGCHWYMIIO-UHFFFAOYSA-N 1 2 415.538 -0.188 20 0 HBADLO CSC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000589086418 1070765930 /nfs/dbraw/zinc/76/59/30/1070765930.db2.gz XVYJZXKNYXHGIA-UHFFFAOYSA-N 1 2 420.539 -0.026 20 0 HBADLO CSC1(CNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC000589086418 1070765923 /nfs/dbraw/zinc/76/59/23/1070765923.db2.gz XVYJZXKNYXHGIA-UHFFFAOYSA-N 1 2 420.539 -0.026 20 0 HBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000589125294 1070767884 /nfs/dbraw/zinc/76/78/84/1070767884.db2.gz XUBOYEUOZAYFKN-UHFFFAOYSA-N 1 2 414.528 -0.331 20 0 HBADLO CN(CC[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000589172719 1070769050 /nfs/dbraw/zinc/76/90/50/1070769050.db2.gz GWKBZHKDSCWQNV-UHFFFAOYSA-N 1 2 413.496 -0.083 20 0 HBADLO NS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000589186995 1070769610 /nfs/dbraw/zinc/76/96/10/1070769610.db2.gz UMVJKGKSXQYGHQ-KRWDZBQOSA-N 1 2 424.523 -0.728 20 0 HBADLO NS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000589186998 1070770277 /nfs/dbraw/zinc/77/02/77/1070770277.db2.gz UMVJKGKSXQYGHQ-QGZVFWFLSA-N 1 2 424.523 -0.728 20 0 HBADLO Cc1noc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000589210362 1070770181 /nfs/dbraw/zinc/77/01/81/1070770181.db2.gz IRFFYUMGSGQTLA-UHFFFAOYSA-N 1 2 409.472 -0.276 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCC[C@H]3C(N)=O)CC2)cc1 ZINC000589248791 1070770836 /nfs/dbraw/zinc/77/08/36/1070770836.db2.gz HEZXEABMYZOAFK-KRWDZBQOSA-N 1 2 424.523 -0.132 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCC[C@H]3C(N)=O)CC2)cc1 ZINC000589248791 1070770825 /nfs/dbraw/zinc/77/08/25/1070770825.db2.gz HEZXEABMYZOAFK-KRWDZBQOSA-N 1 2 424.523 -0.132 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC000589248792 1070770730 /nfs/dbraw/zinc/77/07/30/1070770730.db2.gz HEZXEABMYZOAFK-QGZVFWFLSA-N 1 2 424.523 -0.132 20 0 HBADLO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCCC[C@@H]3C(N)=O)CC2)cc1 ZINC000589248792 1070770717 /nfs/dbraw/zinc/77/07/17/1070770717.db2.gz HEZXEABMYZOAFK-QGZVFWFLSA-N 1 2 424.523 -0.132 20 0 HBADLO NC(=O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000589248835 1070770779 /nfs/dbraw/zinc/77/07/79/1070770779.db2.gz KIZZWUHGNUGYTK-INIZCTEOSA-N 1 2 412.487 -0.002 20 0 HBADLO NC(=O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000589248835 1070770767 /nfs/dbraw/zinc/77/07/67/1070770767.db2.gz KIZZWUHGNUGYTK-INIZCTEOSA-N 1 2 412.487 -0.002 20 0 HBADLO NC(=O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000589248836 1070770664 /nfs/dbraw/zinc/77/06/64/1070770664.db2.gz KIZZWUHGNUGYTK-MRXNPFEDSA-N 1 2 412.487 -0.002 20 0 HBADLO NC(=O)[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000589248836 1070770653 /nfs/dbraw/zinc/77/06/53/1070770653.db2.gz KIZZWUHGNUGYTK-MRXNPFEDSA-N 1 2 412.487 -0.002 20 0 HBADLO COc1ccc(C)cc1C[NH+]1CCN(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000589427225 1070778838 /nfs/dbraw/zinc/77/88/38/1070778838.db2.gz YJXLXLWFHVRIFW-UHFFFAOYSA-N 1 2 415.494 -0.016 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000589464537 1070778294 /nfs/dbraw/zinc/77/82/94/1070778294.db2.gz DFMVGMWVLOZCAA-HNNXBMFYSA-N 1 2 408.436 -0.209 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 ZINC000589464537 1070778280 /nfs/dbraw/zinc/77/82/80/1070778280.db2.gz DFMVGMWVLOZCAA-HNNXBMFYSA-N 1 2 408.436 -0.209 20 0 HBADLO CN(CCCNC(=O)C[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000589608192 1070786118 /nfs/dbraw/zinc/78/61/18/1070786118.db2.gz HPOLRNUTORYLQB-HNNXBMFYSA-N 1 2 404.533 -0.903 20 0 HBADLO CN(CCCNC(=O)C[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000589608192 1070786112 /nfs/dbraw/zinc/78/61/12/1070786112.db2.gz HPOLRNUTORYLQB-HNNXBMFYSA-N 1 2 404.533 -0.903 20 0 HBADLO CN(CCCNC(=O)C[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000589608193 1070786349 /nfs/dbraw/zinc/78/63/49/1070786349.db2.gz HPOLRNUTORYLQB-OAHLLOKOSA-N 1 2 404.533 -0.903 20 0 HBADLO CN(CCCNC(=O)C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1)S(C)(=O)=O ZINC000589608193 1070786339 /nfs/dbraw/zinc/78/63/39/1070786339.db2.gz HPOLRNUTORYLQB-OAHLLOKOSA-N 1 2 404.533 -0.903 20 0 HBADLO Cc1noc(CCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000589674323 1070787923 /nfs/dbraw/zinc/78/79/23/1070787923.db2.gz ACMUSCZKIDKKBG-UHFFFAOYSA-N 1 2 415.520 -0.870 20 0 HBADLO CC(C)CCC(=O)NCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000589687764 1070788766 /nfs/dbraw/zinc/78/87/66/1070788766.db2.gz VELJHNCXZCLUNX-UHFFFAOYSA-N 1 2 403.549 -0.825 20 0 HBADLO CN(CCc1ccccn1)C(=O)CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000589701029 1070788739 /nfs/dbraw/zinc/78/87/39/1070788739.db2.gz KUCSNAYFFIGDDC-KRWDZBQOSA-N 1 2 417.510 -0.621 20 0 HBADLO CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000589701030 1070788698 /nfs/dbraw/zinc/78/86/98/1070788698.db2.gz KUCSNAYFFIGDDC-QGZVFWFLSA-N 1 2 417.510 -0.621 20 0 HBADLO Cc1ccn2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2n1 ZINC000590100874 1070798418 /nfs/dbraw/zinc/79/84/18/1070798418.db2.gz LJYJMTMBURSTDY-UHFFFAOYSA-N 1 2 407.500 -0.712 20 0 HBADLO Cc1ccnc(NC(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000590109423 1070799248 /nfs/dbraw/zinc/79/92/48/1070799248.db2.gz ITCNVUZZXXRIKD-INIZCTEOSA-N 1 2 403.483 -0.032 20 0 HBADLO Cc1ccnc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000590109425 1070798998 /nfs/dbraw/zinc/79/89/98/1070798998.db2.gz ITCNVUZZXXRIKD-MRXNPFEDSA-N 1 2 403.483 -0.032 20 0 HBADLO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000590118615 1069025544 /nfs/dbraw/zinc/02/55/44/1069025544.db2.gz YBFGLYSWTLNKLS-INIZCTEOSA-N 1 2 409.556 -0.121 20 0 HBADLO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000590118616 1070799305 /nfs/dbraw/zinc/79/93/05/1070799305.db2.gz YBFGLYSWTLNKLS-MRXNPFEDSA-N 1 2 409.556 -0.121 20 0 HBADLO CC(C)C(=O)N1CCC[N@@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000590127130 1070800493 /nfs/dbraw/zinc/80/04/93/1070800493.db2.gz WZHFXLNTPYVLJH-UHFFFAOYSA-N 1 2 423.558 -0.820 20 0 HBADLO CC(C)C(=O)N1CCC[N@H+](CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000590127130 1070800467 /nfs/dbraw/zinc/80/04/67/1070800467.db2.gz WZHFXLNTPYVLJH-UHFFFAOYSA-N 1 2 423.558 -0.820 20 0 HBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000590216322 1069027483 /nfs/dbraw/zinc/02/74/83/1069027483.db2.gz ZETUQSUDSSQWQF-UHFFFAOYSA-N 1 2 420.470 -0.698 20 0 HBADLO COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000590216322 1069027465 /nfs/dbraw/zinc/02/74/65/1069027465.db2.gz 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CS(=O)(=O)CCCC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595214705 1070946853 /nfs/dbraw/zinc/94/68/53/1070946853.db2.gz FTDHXIYCTURTLJ-UHFFFAOYSA-N 1 2 418.541 -0.526 20 0 HBADLO CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000595385782 1070948524 /nfs/dbraw/zinc/94/85/24/1070948524.db2.gz STWADWYAKGMCQT-CVEARBPZSA-N 1 2 401.529 -0.407 20 0 HBADLO CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000595385802 1070948335 /nfs/dbraw/zinc/94/83/35/1070948335.db2.gz STWADWYAKGMCQT-HOTGVXAUSA-N 1 2 401.529 -0.407 20 0 HBADLO CCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000595385805 1070948277 /nfs/dbraw/zinc/94/82/77/1070948277.db2.gz STWADWYAKGMCQT-HZPDHXFCSA-N 1 2 401.529 -0.407 20 0 HBADLO CCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000595385808 1070948316 /nfs/dbraw/zinc/94/83/16/1070948316.db2.gz STWADWYAKGMCQT-JKSUJKDBSA-N 1 2 401.529 -0.407 20 0 HBADLO CCN1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(C(C)=O)CC3)CC2)CC1 ZINC000595593046 1070725527 /nfs/dbraw/zinc/72/55/27/1070725527.db2.gz UUGNAIHTRGBHNH-UHFFFAOYSA-N 1 2 407.559 -0.057 20 0 HBADLO NS(=O)(=O)c1ccc(CCC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596029855 1069569286 /nfs/dbraw/zinc/56/92/86/1069569286.db2.gz RULLCPMSQNGNLC-UHFFFAOYSA-N 1 2 407.496 0.434 20 0 HBADLO CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000596029935 1069657138 /nfs/dbraw/zinc/65/71/38/1069657138.db2.gz XFIBJJXOAHGBDR-UHFFFAOYSA-N 1 2 421.523 0.559 20 0 HBADLO O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596171736 1069572139 /nfs/dbraw/zinc/57/21/39/1069572139.db2.gz CBLGRSFADAMEPW-UHFFFAOYSA-N 1 2 407.496 0.522 20 0 HBADLO CNS(=O)(=O)c1cc(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1OC ZINC000596172249 1070956455 /nfs/dbraw/zinc/95/64/55/1070956455.db2.gz TUBRMOBVZAQEIB-UHFFFAOYSA-N 1 2 423.495 0.384 20 0 HBADLO COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000596172327 1069644109 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415.556 -0.067 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000597733459 1070972005 /nfs/dbraw/zinc/97/20/05/1070972005.db2.gz AEUQEKXRMBZKKR-TWMKSMIVSA-N 1 2 415.556 -0.067 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000597733461 1070972031 /nfs/dbraw/zinc/97/20/31/1070972031.db2.gz AEUQEKXRMBZKKR-VQHPVUNQSA-N 1 2 415.556 -0.067 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCO1 ZINC000597733461 1070972026 /nfs/dbraw/zinc/97/20/26/1070972026.db2.gz AEUQEKXRMBZKKR-VQHPVUNQSA-N 1 2 415.556 -0.067 20 0 HBADLO C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000597733464 1070971914 /nfs/dbraw/zinc/97/19/14/1070971914.db2.gz AEUQEKXRMBZKKR-YYIAUSFCSA-N 1 2 415.556 -0.067 20 0 HBADLO C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCO1 ZINC000597733464 1070971906 /nfs/dbraw/zinc/97/19/06/1070971906.db2.gz 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CS(=O)(=O)c1nc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)c2ccccn21 ZINC000604371495 1071024245 /nfs/dbraw/zinc/02/42/45/1071024245.db2.gz DMZOILHPWJLHLN-OAHLLOKOSA-N 1 2 421.523 -0.126 20 0 HBADLO COC(=O)CCCCNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000604459864 1071029800 /nfs/dbraw/zinc/02/98/00/1071029800.db2.gz FCRLNHRHAYAOHT-UHFFFAOYSA-N 1 2 405.521 -0.851 20 0 HBADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000604496032 1071030269 /nfs/dbraw/zinc/03/02/69/1071030269.db2.gz AAOTYZCZJQCSIN-INIZCTEOSA-N 1 2 409.483 -0.073 20 0 HBADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(CC(=O)N(C)C)CC2)c(OC)c1 ZINC000604496033 1071030123 /nfs/dbraw/zinc/03/01/23/1071030123.db2.gz AAOTYZCZJQCSIN-MRXNPFEDSA-N 1 2 409.483 -0.073 20 0 HBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)c2)CC1 ZINC000604927272 1071043113 /nfs/dbraw/zinc/04/31/13/1071043113.db2.gz HAFBXWVAUUOBAR-KRWDZBQOSA-N 1 2 423.539 -0.477 20 0 HBADLO 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C[C@H](NC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)C(=O)N(C)C ZINC000604931929 1071043164 /nfs/dbraw/zinc/04/31/64/1071043164.db2.gz NJADOWPVUIJQQH-HOCLYGCPSA-N 1 2 401.471 -0.161 20 0 HBADLO C[C@H](NC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)C(=O)N(C)C ZINC000604931929 1071043159 /nfs/dbraw/zinc/04/31/59/1071043159.db2.gz NJADOWPVUIJQQH-HOCLYGCPSA-N 1 2 401.471 -0.161 20 0 HBADLO C[C@@H](NC(=O)Cn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1)C(=O)N(C)C ZINC000604931930 1071043139 /nfs/dbraw/zinc/04/31/39/1071043139.db2.gz NJADOWPVUIJQQH-ZBFHGGJFSA-N 1 2 401.471 -0.161 20 0 HBADLO C[C@@H](NC(=O)Cn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1)C(=O)N(C)C ZINC000604931930 1071043131 /nfs/dbraw/zinc/04/31/31/1071043131.db2.gz NJADOWPVUIJQQH-ZBFHGGJFSA-N 1 2 401.471 -0.161 20 0 HBADLO CC(=O)N1CCN(C(=O)Cn2nnc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000604932644 1071043247 /nfs/dbraw/zinc/04/32/47/1071043247.db2.gz XOBYFTUZSLWPIU-GOSISDBHSA-N 1 2 413.482 -0.063 20 0 HBADLO CC(=O)N1CCN(C(=O)Cn2nnc([C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000604932644 1071043243 /nfs/dbraw/zinc/04/32/43/1071043243.db2.gz XOBYFTUZSLWPIU-GOSISDBHSA-N 1 2 413.482 -0.063 20 0 HBADLO CC(=O)N1CCN(C(=O)Cn2nnc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000604932645 1071043686 /nfs/dbraw/zinc/04/36/86/1071043686.db2.gz XOBYFTUZSLWPIU-SFHVURJKSA-N 1 2 413.482 -0.063 20 0 HBADLO CC(=O)N1CCN(C(=O)Cn2nnc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)CC1 ZINC000604932645 1071043679 /nfs/dbraw/zinc/04/36/79/1071043679.db2.gz XOBYFTUZSLWPIU-SFHVURJKSA-N 1 2 413.482 -0.063 20 0 HBADLO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000604988377 1071044322 /nfs/dbraw/zinc/04/43/22/1071044322.db2.gz FJNKWGDVNWPAOG-AEFFLSMTSA-N 1 2 406.483 -0.659 20 0 HBADLO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000604988378 1071044150 /nfs/dbraw/zinc/04/41/50/1071044150.db2.gz FJNKWGDVNWPAOG-FUHWJXTLSA-N 1 2 406.483 -0.659 20 0 HBADLO CC(=O)N[C@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000604988379 1071044309 /nfs/dbraw/zinc/04/43/09/1071044309.db2.gz FJNKWGDVNWPAOG-SJLPKXTDSA-N 1 2 406.483 -0.659 20 0 HBADLO CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000604988380 1071044335 /nfs/dbraw/zinc/04/43/35/1071044335.db2.gz FJNKWGDVNWPAOG-WMZOPIPTSA-N 1 2 406.483 -0.659 20 0 HBADLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000605137728 1071046978 /nfs/dbraw/zinc/04/69/78/1071046978.db2.gz NPAJVAGGISUFDK-HNNXBMFYSA-N 1 2 400.487 -0.298 20 0 HBADLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC000605137729 1071046854 /nfs/dbraw/zinc/04/68/54/1071046854.db2.gz NPAJVAGGISUFDK-OAHLLOKOSA-N 1 2 400.487 -0.298 20 0 HBADLO CC(=O)NC[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000605152778 1071049114 /nfs/dbraw/zinc/04/91/14/1071049114.db2.gz ZKDUMWRDFWXEJT-FQEVSTJZSA-N 1 2 404.511 -0.028 20 0 HBADLO CC(=O)NC[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000605152779 1071049228 /nfs/dbraw/zinc/04/92/28/1071049228.db2.gz ZKDUMWRDFWXEJT-HXUWFJFHSA-N 1 2 404.511 -0.028 20 0 HBADLO CN(CCCNC(=O)C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1)S(C)(=O)=O ZINC000605156713 1071049250 /nfs/dbraw/zinc/04/92/50/1071049250.db2.gz RQPSBWGPJWMLAT-UHFFFAOYSA-N 1 2 411.528 -0.695 20 0 HBADLO COC[C@H](C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000605158137 1071049019 /nfs/dbraw/zinc/04/90/19/1071049019.db2.gz DBIVCZVYGDMXSB-AWEZNQCLSA-N 1 2 406.530 -0.512 20 0 HBADLO COC[C@@H](C)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000605158138 1071049270 /nfs/dbraw/zinc/04/92/70/1071049270.db2.gz DBIVCZVYGDMXSB-CQSZACIVSA-N 1 2 406.530 -0.512 20 0 HBADLO CC(=O)NC[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000605225047 1071053862 /nfs/dbraw/zinc/05/38/62/1071053862.db2.gz MHHFMNLNTLTQDA-KRWDZBQOSA-N 1 2 418.498 -0.333 20 0 HBADLO CC(=O)NC[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000605225048 1071054000 /nfs/dbraw/zinc/05/40/00/1071054000.db2.gz MHHFMNLNTLTQDA-QGZVFWFLSA-N 1 2 418.498 -0.333 20 0 HBADLO Cn1cc(N2CC[C@H](NC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C2=O)cn1 ZINC000605231190 1071053985 /nfs/dbraw/zinc/05/39/85/1071053985.db2.gz HECNPXSKTVVICP-HNNXBMFYSA-N 1 2 424.469 -0.266 20 0 HBADLO Cn1cc(N2CC[C@@H](NC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)C2=O)cn1 ZINC000605231191 1071053893 /nfs/dbraw/zinc/05/38/93/1071053893.db2.gz HECNPXSKTVVICP-OAHLLOKOSA-N 1 2 424.469 -0.266 20 0 HBADLO CS(=O)(=O)N1CCN(CCNC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000605243067 1071050647 /nfs/dbraw/zinc/05/06/47/1071050647.db2.gz VMTUSXBEVMJISG-UHFFFAOYSA-N 1 2 420.495 -0.496 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000605318394 1071058569 /nfs/dbraw/zinc/05/85/69/1071058569.db2.gz IRZKKIUSZDLHLN-AWEZNQCLSA-N 1 2 404.514 -0.758 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)[C@@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000605318395 1071058638 /nfs/dbraw/zinc/05/86/38/1071058638.db2.gz IRZKKIUSZDLHLN-CQSZACIVSA-N 1 2 404.514 -0.758 20 0 HBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605325986 1071057000 /nfs/dbraw/zinc/05/70/00/1071057000.db2.gz CSHSOENSEBNYSK-AWEZNQCLSA-N 1 2 400.505 -0.388 20 0 HBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605325987 1071056888 /nfs/dbraw/zinc/05/68/88/1071056888.db2.gz CSHSOENSEBNYSK-CQSZACIVSA-N 1 2 400.505 -0.388 20 0 HBADLO O=C(NCCCn1cc[nH+]c1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605347571 1071062805 /nfs/dbraw/zinc/06/28/05/1071062805.db2.gz VCQOOVRDFKREDB-UHFFFAOYSA-N 1 2 400.505 -0.386 20 0 HBADLO O=C(NCCNc1cccc[nH+]1)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605348118 1071057409 /nfs/dbraw/zinc/05/74/09/1071057409.db2.gz QRLFKRYJIZKYPU-UHFFFAOYSA-N 1 2 412.516 -0.166 20 0 HBADLO CN(CC[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605355789 1071064051 /nfs/dbraw/zinc/06/40/51/1071064051.db2.gz IVCZMDJYUMHZMO-UHFFFAOYSA-N 1 2 419.548 -0.999 20 0 HBADLO CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378271 1071059329 /nfs/dbraw/zinc/05/93/29/1071059329.db2.gz GRMPNXBFGYHGEZ-INIZCTEOSA-N 1 2 424.523 -0.352 20 0 HBADLO CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605378272 1071059464 /nfs/dbraw/zinc/05/94/64/1071059464.db2.gz GRMPNXBFGYHGEZ-MRXNPFEDSA-N 1 2 424.523 -0.352 20 0 HBADLO O=C(CSc1nnnn1C1CCCC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378276 1071059399 /nfs/dbraw/zinc/05/93/99/1071059399.db2.gz HHZNMZHIAUULHD-AWEZNQCLSA-N 1 2 423.543 -0.070 20 0 HBADLO O=C(CSc1nnnn1C1CCCC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378277 1071059119 /nfs/dbraw/zinc/05/91/19/1071059119.db2.gz HHZNMZHIAUULHD-CQSZACIVSA-N 1 2 423.543 -0.070 20 0 HBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378278 1071059442 /nfs/dbraw/zinc/05/94/42/1071059442.db2.gz HIZYCSCZRJTVSH-INIZCTEOSA-N 1 2 424.523 -0.400 20 0 HBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378279 1071059311 /nfs/dbraw/zinc/05/93/11/1071059311.db2.gz HIZYCSCZRJTVSH-MRXNPFEDSA-N 1 2 424.523 -0.400 20 0 HBADLO COc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OCC(N)=O ZINC000605378464 1071059352 /nfs/dbraw/zinc/05/93/52/1071059352.db2.gz WOUYICBVRDRARL-HNNXBMFYSA-N 1 2 420.466 -0.778 20 0 HBADLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OCC(N)=O ZINC000605378465 1071059164 /nfs/dbraw/zinc/05/91/64/1071059164.db2.gz WOUYICBVRDRARL-OAHLLOKOSA-N 1 2 420.466 -0.778 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000605378483 1071061046 /nfs/dbraw/zinc/06/10/46/1071061046.db2.gz XOXKVFYVPOTRKV-CVEARBPZSA-N 1 2 410.540 -0.263 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000605378484 1068372969 /nfs/dbraw/zinc/37/29/69/1068372969.db2.gz XOXKVFYVPOTRKV-HOTGVXAUSA-N 1 2 410.540 -0.263 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000605378485 1071060862 /nfs/dbraw/zinc/06/08/62/1071060862.db2.gz XOXKVFYVPOTRKV-HZPDHXFCSA-N 1 2 410.540 -0.263 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CSCN1C(=O)C1CCC1 ZINC000605378486 1071060944 /nfs/dbraw/zinc/06/09/44/1071060944.db2.gz XOXKVFYVPOTRKV-JKSUJKDBSA-N 1 2 410.540 -0.263 20 0 HBADLO CS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378554 1071060839 /nfs/dbraw/zinc/06/08/39/1071060839.db2.gz CRHGKWPYTVTWIX-KRWDZBQOSA-N 1 2 409.508 -0.106 20 0 HBADLO CS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605378555 1071060983 /nfs/dbraw/zinc/06/09/83/1071060983.db2.gz CRHGKWPYTVTWIX-QGZVFWFLSA-N 1 2 409.508 -0.106 20 0 HBADLO NC(=O)N[C@@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378576 1071060908 /nfs/dbraw/zinc/06/09/08/1071060908.db2.gz DOWIUHQRGYNWGY-KBPBESRZSA-N 1 2 409.512 -0.103 20 0 HBADLO NC(=O)N[C@@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378577 1068374117 /nfs/dbraw/zinc/37/41/17/1068374117.db2.gz DOWIUHQRGYNWGY-KGLIPLIRSA-N 1 2 409.512 -0.103 20 0 HBADLO NC(=O)N[C@H](CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378578 1068374039 /nfs/dbraw/zinc/37/40/39/1068374039.db2.gz DOWIUHQRGYNWGY-UONOGXRCSA-N 1 2 409.512 -0.103 20 0 HBADLO NC(=O)N[C@H](CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cccs1 ZINC000605378579 1071061027 /nfs/dbraw/zinc/06/10/27/1071061027.db2.gz DOWIUHQRGYNWGY-ZIAGYGMSSA-N 1 2 409.512 -0.103 20 0 HBADLO O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378590 1068373022 /nfs/dbraw/zinc/37/30/22/1068373022.db2.gz FKBNDSNEKXBISY-HNNXBMFYSA-N 1 2 421.498 -0.710 20 0 HBADLO O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378591 1068373405 /nfs/dbraw/zinc/37/34/05/1068373405.db2.gz FKBNDSNEKXBISY-OAHLLOKOSA-N 1 2 421.498 -0.710 20 0 HBADLO O=C(CCS(=O)(=O)C1CCCC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378592 1071061356 /nfs/dbraw/zinc/06/13/56/1071061356.db2.gz FLKVGIVRIPOPGG-HNNXBMFYSA-N 1 2 401.529 -0.217 20 0 HBADLO O=C(CCS(=O)(=O)C1CCCC1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378593 1068373238 /nfs/dbraw/zinc/37/32/38/1068373238.db2.gz FLKVGIVRIPOPGG-OAHLLOKOSA-N 1 2 401.529 -0.217 20 0 HBADLO C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378690 1068374151 /nfs/dbraw/zinc/37/41/51/1068374151.db2.gz KEJTXKAMMIVDAX-CHWSQXEVSA-N 1 2 409.516 -0.462 20 0 HBADLO C[C@@H](Sc1nnnn1C1CC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378691 1071060928 /nfs/dbraw/zinc/06/09/28/1071060928.db2.gz KEJTXKAMMIVDAX-OLZOCXBDSA-N 1 2 409.516 -0.462 20 0 HBADLO C[C@H](Sc1nnnn1C1CC1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378692 1071060822 /nfs/dbraw/zinc/06/08/22/1071060822.db2.gz KEJTXKAMMIVDAX-QWHCGFSZSA-N 1 2 409.516 -0.462 20 0 HBADLO C[C@H](Sc1nnnn1C1CC1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378693 1071061007 /nfs/dbraw/zinc/06/10/07/1071061007.db2.gz KEJTXKAMMIVDAX-STQMWFEESA-N 1 2 409.516 -0.462 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000605378742 1071060994 /nfs/dbraw/zinc/06/09/94/1071060994.db2.gz MKFLPPMCUOQKPV-AWEZNQCLSA-N 1 2 424.461 -0.161 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnn2c1[nH]c(=O)c1ccccc12 ZINC000605378743 1071060789 /nfs/dbraw/zinc/06/07/89/1071060789.db2.gz MKFLPPMCUOQKPV-CQSZACIVSA-N 1 2 424.461 -0.161 20 0 HBADLO CCn1c2ccccc2n(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000605378760 1071061069 /nfs/dbraw/zinc/06/10/69/1071061069.db2.gz NITBGJNLJICBJP-INIZCTEOSA-N 1 2 415.494 -0.128 20 0 HBADLO CCn1c2ccccc2n(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000605378761 1071060969 /nfs/dbraw/zinc/06/09/69/1071060969.db2.gz NITBGJNLJICBJP-MRXNPFEDSA-N 1 2 415.494 -0.128 20 0 HBADLO Cc1cccc2c(=O)n(CC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000605378776 1071060767 /nfs/dbraw/zinc/06/07/67/1071060767.db2.gz ODBGPYNEWMFISU-INIZCTEOSA-N 1 2 413.478 -0.246 20 0 HBADLO Cc1cccc2c(=O)n(CC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cnc12 ZINC000605378777 1071061036 /nfs/dbraw/zinc/06/10/36/1071061036.db2.gz ODBGPYNEWMFISU-MRXNPFEDSA-N 1 2 413.478 -0.246 20 0 HBADLO O=C(CCN1C(=O)COc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378804 1068374815 /nfs/dbraw/zinc/37/48/15/1068374815.db2.gz PSLVCRNTSSRCNM-INIZCTEOSA-N 1 2 416.478 -0.149 20 0 HBADLO O=C(CCN1C(=O)COc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378805 1071061055 /nfs/dbraw/zinc/06/10/55/1071061055.db2.gz PSLVCRNTSSRCNM-MRXNPFEDSA-N 1 2 416.478 -0.149 20 0 HBADLO O=C(CCn1cnc2ccccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378868 1071061076 /nfs/dbraw/zinc/06/10/76/1071061076.db2.gz SWJRQORTLRACMV-INIZCTEOSA-N 1 2 413.478 -0.164 20 0 HBADLO O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378869 1071060885 /nfs/dbraw/zinc/06/08/85/1071060885.db2.gz SWJRQORTLRACMV-MRXNPFEDSA-N 1 2 413.478 -0.164 20 0 HBADLO CN(CC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(=O)(=O)c1ccccc1 ZINC000605378934 1071060264 /nfs/dbraw/zinc/06/02/64/1071060264.db2.gz XAJMFKYHGQQRRX-INIZCTEOSA-N 1 2 424.523 -0.644 20 0 HBADLO CN(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(=O)(=O)c1ccccc1 ZINC000605378935 1071059881 /nfs/dbraw/zinc/05/98/81/1071059881.db2.gz XAJMFKYHGQQRRX-MRXNPFEDSA-N 1 2 424.523 -0.644 20 0 HBADLO CCS(=O)(=O)N1CCC(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000605378944 1071060188 /nfs/dbraw/zinc/06/01/88/1071060188.db2.gz XVAPLQUVLZBVSA-INIZCTEOSA-N 1 2 416.544 -0.903 20 0 HBADLO CCS(=O)(=O)N1CCC(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000605378945 1071059975 /nfs/dbraw/zinc/05/99/75/1071059975.db2.gz XVAPLQUVLZBVSA-MRXNPFEDSA-N 1 2 416.544 -0.903 20 0 HBADLO O=C(CCn1cnc2sccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378980 1068375542 /nfs/dbraw/zinc/37/55/42/1068375542.db2.gz ZTLORLAQNQKERL-AWEZNQCLSA-N 1 2 419.507 -0.103 20 0 HBADLO O=C(CCn1cnc2sccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378981 1068375242 /nfs/dbraw/zinc/37/52/42/1068375242.db2.gz ZTLORLAQNQKERL-CQSZACIVSA-N 1 2 419.507 -0.103 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378994 1068375640 /nfs/dbraw/zinc/37/56/40/1068375640.db2.gz APKQYVNXGPCVIO-HOTGVXAUSA-N 1 2 424.523 -0.597 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605378995 1071061060 /nfs/dbraw/zinc/06/10/60/1071061060.db2.gz APKQYVNXGPCVIO-JKSUJKDBSA-N 1 2 424.523 -0.597 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000605379066 1071060217 /nfs/dbraw/zinc/06/02/17/1071060217.db2.gz FYAXOQNARVYXMB-INIZCTEOSA-N 1 2 411.462 -0.105 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000605379067 1071059922 /nfs/dbraw/zinc/05/99/22/1071059922.db2.gz FYAXOQNARVYXMB-MRXNPFEDSA-N 1 2 411.462 -0.105 20 0 HBADLO O=C(CCn1nnc2ccccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379068 1071060340 /nfs/dbraw/zinc/06/03/40/1071060340.db2.gz GCPNQMRHYGALKI-HNNXBMFYSA-N 1 2 414.466 -0.769 20 0 HBADLO O=C(CCn1nnc2ccccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379069 1071060059 /nfs/dbraw/zinc/06/00/59/1071060059.db2.gz GCPNQMRHYGALKI-OAHLLOKOSA-N 1 2 414.466 -0.769 20 0 HBADLO O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379102 1068375197 /nfs/dbraw/zinc/37/51/97/1068375197.db2.gz IGGOTVHDYBMRDG-INIZCTEOSA-N 1 2 424.523 -0.596 20 0 HBADLO O=C(CCNS(=O)(=O)c1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379103 1071059901 /nfs/dbraw/zinc/05/99/01/1071059901.db2.gz IGGOTVHDYBMRDG-MRXNPFEDSA-N 1 2 424.523 -0.596 20 0 HBADLO O=C(CNC(=O)Cc1cccc(F)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379132 1071060001 /nfs/dbraw/zinc/06/00/01/1071060001.db2.gz JNKVGAFVVSQICO-KRWDZBQOSA-N 1 2 406.458 -0.466 20 0 HBADLO O=C(CNC(=O)Cc1cccc(F)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379133 1071060374 /nfs/dbraw/zinc/06/03/74/1071060374.db2.gz JNKVGAFVVSQICO-QGZVFWFLSA-N 1 2 406.458 -0.466 20 0 HBADLO Cn1c2ccccc2n(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000605379168 1068376001 /nfs/dbraw/zinc/37/60/01/1068376001.db2.gz KWDXIPMJROJIMC-HNNXBMFYSA-N 1 2 401.467 -0.611 20 0 HBADLO Cn1c2ccccc2n(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1=O ZINC000605379169 1071060125 /nfs/dbraw/zinc/06/01/25/1071060125.db2.gz KWDXIPMJROJIMC-OAHLLOKOSA-N 1 2 401.467 -0.611 20 0 HBADLO CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605379240 1071059486 /nfs/dbraw/zinc/05/94/86/1071059486.db2.gz PFJMYTANNORYFW-HNNXBMFYSA-N 1 2 410.496 -0.742 20 0 HBADLO CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605379241 1071059274 /nfs/dbraw/zinc/05/92/74/1071059274.db2.gz PFJMYTANNORYFW-OAHLLOKOSA-N 1 2 410.496 -0.742 20 0 HBADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379246 1071059226 /nfs/dbraw/zinc/05/92/26/1071059226.db2.gz PKPQPWQPWMSQTQ-ARFHVFGLSA-N 1 2 412.556 -0.017 20 0 HBADLO CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379247 1071059506 /nfs/dbraw/zinc/05/95/06/1071059506.db2.gz PKPQPWQPWMSQTQ-HRCADAONSA-N 1 2 412.556 -0.017 20 0 HBADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379248 1071059185 /nfs/dbraw/zinc/05/91/85/1071059185.db2.gz PKPQPWQPWMSQTQ-JYJNAYRXSA-N 1 2 412.556 -0.017 20 0 HBADLO CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379249 1071059367 /nfs/dbraw/zinc/05/93/67/1071059367.db2.gz PKPQPWQPWMSQTQ-XHSDSOJGSA-N 1 2 412.556 -0.017 20 0 HBADLO O=C(CCNC(=O)Cc1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379254 1071059531 /nfs/dbraw/zinc/05/95/31/1071059531.db2.gz POPMXEVHOGNQIE-GOSISDBHSA-N 1 2 402.495 -0.215 20 0 HBADLO O=C(CCNC(=O)Cc1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379255 1071060026 /nfs/dbraw/zinc/06/00/26/1071060026.db2.gz POPMXEVHOGNQIE-SFHVURJKSA-N 1 2 402.495 -0.215 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000605379266 1071060358 /nfs/dbraw/zinc/06/03/58/1071060358.db2.gz PYILAHKHZZHGFQ-INIZCTEOSA-N 1 2 401.467 -0.121 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000605379267 1071060093 /nfs/dbraw/zinc/06/00/93/1071060093.db2.gz PYILAHKHZZHGFQ-MRXNPFEDSA-N 1 2 401.467 -0.121 20 0 HBADLO O=C(NCCCc1ccccc1)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379272 1071060292 /nfs/dbraw/zinc/06/02/92/1071060292.db2.gz QEQZIXVSAWVFIF-GOSISDBHSA-N 1 2 402.495 -0.215 20 0 HBADLO O=C(NCCCc1ccccc1)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605379273 1068376150 /nfs/dbraw/zinc/37/61/50/1068376150.db2.gz QEQZIXVSAWVFIF-SFHVURJKSA-N 1 2 402.495 -0.215 20 0 HBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000605379320 1071060245 /nfs/dbraw/zinc/06/02/45/1071060245.db2.gz SNWTUJWQZKSCBB-CABCVRRESA-N 1 2 421.498 -0.711 20 0 HBADLO C[C@@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000605379321 1071059949 /nfs/dbraw/zinc/05/99/49/1071059949.db2.gz SNWTUJWQZKSCBB-GJZGRUSLSA-N 1 2 421.498 -0.711 20 0 HBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000605379322 1071060161 /nfs/dbraw/zinc/06/01/61/1071060161.db2.gz SNWTUJWQZKSCBB-HUUCEWRRSA-N 1 2 421.498 -0.711 20 0 HBADLO C[C@@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000605379323 1071060314 /nfs/dbraw/zinc/06/03/14/1071060314.db2.gz SNWTUJWQZKSCBB-LSDHHAIUSA-N 1 2 421.498 -0.711 20 0 HBADLO CC1(C)C(=O)NC(=O)N1CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000605404592 1071065810 /nfs/dbraw/zinc/06/58/10/1071065810.db2.gz PADKFBBAYLVTQA-UHFFFAOYSA-N 1 2 402.455 -0.433 20 0 HBADLO Cc1csc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000605418931 1071064147 /nfs/dbraw/zinc/06/41/47/1071064147.db2.gz HWEAOKUUMZRDRW-UHFFFAOYSA-N 1 2 402.546 -0.500 20 0 HBADLO Cc1ccc2nc(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc(=O)n2c1 ZINC000605419043 1071063956 /nfs/dbraw/zinc/06/39/56/1071063956.db2.gz RPKQDNGJQZBMQP-UHFFFAOYSA-N 1 2 420.539 -0.387 20 0 HBADLO COc1ccc(NC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000605419051 1071064075 /nfs/dbraw/zinc/06/40/75/1071064075.db2.gz SJZHJODBRLZRLO-UHFFFAOYSA-N 1 2 411.528 -0.257 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000605429526 1069637148 /nfs/dbraw/zinc/63/71/48/1069637148.db2.gz SEEYNGJCVYEXSX-UHFFFAOYSA-N 1 2 400.505 -0.286 20 0 HBADLO CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000605429628 1069656560 /nfs/dbraw/zinc/65/65/60/1069656560.db2.gz CYOXWWCJEBLECG-AWEZNQCLSA-N 1 2 400.505 -0.239 20 0 HBADLO CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000605429629 1069656409 /nfs/dbraw/zinc/65/64/09/1069656409.db2.gz CYOXWWCJEBLECG-CQSZACIVSA-N 1 2 400.505 -0.239 20 0 HBADLO CCOc1ccccc1C(=O)NCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440380 1071067485 /nfs/dbraw/zinc/06/74/85/1071067485.db2.gz BHGSJAQCISTNTO-INIZCTEOSA-N 1 2 418.494 -0.136 20 0 HBADLO CCOc1ccccc1C(=O)NCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440381 1071067623 /nfs/dbraw/zinc/06/76/23/1071067623.db2.gz BHGSJAQCISTNTO-MRXNPFEDSA-N 1 2 418.494 -0.136 20 0 HBADLO O=C(CNC(=O)COc1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440453 1071067558 /nfs/dbraw/zinc/06/75/58/1071067558.db2.gz FPHAEVBZFOLUGR-INIZCTEOSA-N 1 2 404.467 -0.769 20 0 HBADLO O=C(CNC(=O)COc1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440458 1071067724 /nfs/dbraw/zinc/06/77/24/1071067724.db2.gz FPHAEVBZFOLUGR-MRXNPFEDSA-N 1 2 404.467 -0.769 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(c2cnccn2)CC1 ZINC000605440554 1071068424 /nfs/dbraw/zinc/06/84/24/1071068424.db2.gz IXCFPZMPJGQNIY-KRWDZBQOSA-N 1 2 402.499 -0.258 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCN(c2cnccn2)CC1 ZINC000605440556 1071068084 /nfs/dbraw/zinc/06/80/84/1071068084.db2.gz IXCFPZMPJGQNIY-QGZVFWFLSA-N 1 2 402.499 -0.258 20 0 HBADLO CCOc1ccc(C(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605440764 1071067753 /nfs/dbraw/zinc/06/77/53/1071067753.db2.gz OJSMKRKIRAGBBE-KRWDZBQOSA-N 1 2 418.494 -0.136 20 0 HBADLO CCOc1ccc(C(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605440765 1071067538 /nfs/dbraw/zinc/06/75/38/1071067538.db2.gz OJSMKRKIRAGBBE-QGZVFWFLSA-N 1 2 418.494 -0.136 20 0 HBADLO O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440849 1071068246 /nfs/dbraw/zinc/06/82/46/1071068246.db2.gz SWMAQHMLICGSRX-BRWVUGGUSA-N 1 2 420.510 -0.399 20 0 HBADLO O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440850 1071068155 /nfs/dbraw/zinc/06/81/55/1071068155.db2.gz SWMAQHMLICGSRX-GVDBMIGSSA-N 1 2 420.510 -0.399 20 0 HBADLO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440867 1071068355 /nfs/dbraw/zinc/06/83/55/1071068355.db2.gz SWMAQHMLICGSRX-YESZJQIVSA-N 1 2 420.510 -0.399 20 0 HBADLO O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440868 1071068211 /nfs/dbraw/zinc/06/82/11/1071068211.db2.gz SWMAQHMLICGSRX-ZACQAIPSSA-N 1 2 420.510 -0.399 20 0 HBADLO O=C(CCN1C(=O)c2ccccc2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440921 1071068498 /nfs/dbraw/zinc/06/84/98/1071068498.db2.gz UXTOYHSVRDUTQU-HNNXBMFYSA-N 1 2 414.462 -0.278 20 0 HBADLO O=C(CCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440922 1071068316 /nfs/dbraw/zinc/06/83/16/1071068316.db2.gz UXTOYHSVRDUTQU-OAHLLOKOSA-N 1 2 414.462 -0.278 20 0 HBADLO O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440978 1071068021 /nfs/dbraw/zinc/06/80/21/1071068021.db2.gz XQYBQLQEANYWBO-INIZCTEOSA-N 1 2 410.421 -0.256 20 0 HBADLO O=C(CNC(=O)c1cc(F)cc(F)c1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605440980 1071068528 /nfs/dbraw/zinc/06/85/28/1071068528.db2.gz XQYBQLQEANYWBO-MRXNPFEDSA-N 1 2 410.421 -0.256 20 0 HBADLO CN1C(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2C1=O ZINC000605440997 1071068387 /nfs/dbraw/zinc/06/83/87/1071068387.db2.gz YKXXKSJZAPRJLJ-AWEZNQCLSA-N 1 2 400.435 -0.425 20 0 HBADLO CN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2C1=O ZINC000605440998 1071068280 /nfs/dbraw/zinc/06/82/80/1071068280.db2.gz YKXXKSJZAPRJLJ-CQSZACIVSA-N 1 2 400.435 -0.425 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000605522042 1071070354 /nfs/dbraw/zinc/07/03/54/1071070354.db2.gz LKCHTCUTCNEESP-HNNXBMFYSA-N 1 2 422.507 -0.596 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000605522047 1071070289 /nfs/dbraw/zinc/07/02/89/1071070289.db2.gz LKCHTCUTCNEESP-OAHLLOKOSA-N 1 2 422.507 -0.596 20 0 HBADLO CCC1(CC)NC(=O)N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605528372 1071070906 /nfs/dbraw/zinc/07/09/06/1071070906.db2.gz CABGVSRRARPSEN-AWEZNQCLSA-N 1 2 409.487 -0.854 20 0 HBADLO CCC1(CC)NC(=O)N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605528373 1071071325 /nfs/dbraw/zinc/07/13/25/1071071325.db2.gz CABGVSRRARPSEN-CQSZACIVSA-N 1 2 409.487 -0.854 20 0 HBADLO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605528490 1071070503 /nfs/dbraw/zinc/07/05/03/1071070503.db2.gz FPBTYYHTYABAEW-INIZCTEOSA-N 1 2 424.523 -0.400 20 0 HBADLO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605528492 1071070180 /nfs/dbraw/zinc/07/01/80/1071070180.db2.gz FPBTYYHTYABAEW-MRXNPFEDSA-N 1 2 424.523 -0.400 20 0 HBADLO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000605528503 1071070575 /nfs/dbraw/zinc/07/05/75/1071070575.db2.gz GJYIWOHTEAFTSH-HNNXBMFYSA-N 1 2 414.462 -0.360 20 0 HBADLO Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2=O ZINC000605528505 1071071212 /nfs/dbraw/zinc/07/12/12/1071071212.db2.gz GJYIWOHTEAFTSH-OAHLLOKOSA-N 1 2 414.462 -0.360 20 0 HBADLO NS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528723 1071071874 /nfs/dbraw/zinc/07/18/74/1071071874.db2.gz IBBYCMCMEALVKY-INIZCTEOSA-N 1 2 424.523 -0.684 20 0 HBADLO NS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605528724 1071071895 /nfs/dbraw/zinc/07/18/95/1071071895.db2.gz IBBYCMCMEALVKY-MRXNPFEDSA-N 1 2 424.523 -0.684 20 0 HBADLO CS(=O)(=O)Nc1cccc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605528773 1071072116 /nfs/dbraw/zinc/07/21/16/1071072116.db2.gz LPARYYSYZHBQSD-KRWDZBQOSA-N 1 2 424.523 -0.350 20 0 HBADLO CS(=O)(=O)Nc1cccc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605528774 1071072237 /nfs/dbraw/zinc/07/22/37/1071072237.db2.gz LPARYYSYZHBQSD-QGZVFWFLSA-N 1 2 424.523 -0.350 20 0 HBADLO CN(C)C(=O)COc1ccccc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528795 1071071818 /nfs/dbraw/zinc/07/18/18/1071071818.db2.gz MCXLYTXDTYESEO-INIZCTEOSA-N 1 2 418.494 -0.184 20 0 HBADLO CN(C)C(=O)COc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605528796 1071071955 /nfs/dbraw/zinc/07/19/55/1071071955.db2.gz MCXLYTXDTYESEO-MRXNPFEDSA-N 1 2 418.494 -0.184 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cc1Cl ZINC000605528803 1071071777 /nfs/dbraw/zinc/07/17/77/1071071777.db2.gz MEOWHTNZWSWGMH-CYBMUJFWSA-N 1 2 419.873 -0.021 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(-n2cnnn2)cc1Cl ZINC000605528804 1071071718 /nfs/dbraw/zinc/07/17/18/1071071718.db2.gz MEOWHTNZWSWGMH-ZDUSSCGKSA-N 1 2 419.873 -0.021 20 0 HBADLO O=C(CCNC(=O)c1ccc(F)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529019 1068612692 /nfs/dbraw/zinc/61/26/92/1068612692.db2.gz QBKBBOYTZBKORT-KRWDZBQOSA-N 1 2 406.458 -0.005 20 0 HBADLO O=C(CCNC(=O)c1ccc(F)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529020 1071072081 /nfs/dbraw/zinc/07/20/81/1071072081.db2.gz QBKBBOYTZBKORT-QGZVFWFLSA-N 1 2 406.458 -0.005 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000605529113 1071071794 /nfs/dbraw/zinc/07/17/94/1071071794.db2.gz DTZJZVSVXPDBJL-AEFFLSMTSA-N 1 2 415.494 -0.521 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000605529114 1071071690 /nfs/dbraw/zinc/07/16/90/1071071690.db2.gz DTZJZVSVXPDBJL-FUHWJXTLSA-N 1 2 415.494 -0.521 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000605529115 1071072013 /nfs/dbraw/zinc/07/20/13/1071072013.db2.gz DTZJZVSVXPDBJL-SJLPKXTDSA-N 1 2 415.494 -0.521 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000605529116 1071072201 /nfs/dbraw/zinc/07/22/01/1071072201.db2.gz DTZJZVSVXPDBJL-WMZOPIPTSA-N 1 2 415.494 -0.521 20 0 HBADLO O=C(Cn1cnc2sccc2c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529163 1071071263 /nfs/dbraw/zinc/07/12/63/1071071263.db2.gz QOROXRYDDYZIDZ-CYBMUJFWSA-N 1 2 405.480 -0.493 20 0 HBADLO O=C(Cn1cnc2sccc2c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529166 1071071102 /nfs/dbraw/zinc/07/11/02/1071071102.db2.gz QOROXRYDDYZIDZ-ZDUSSCGKSA-N 1 2 405.480 -0.493 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000605529212 1071071066 /nfs/dbraw/zinc/07/10/66/1071071066.db2.gz SDLCBYWANJJFAU-INIZCTEOSA-N 1 2 403.483 -0.086 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000605529213 1071071417 /nfs/dbraw/zinc/07/14/17/1071071417.db2.gz SDLCBYWANJJFAU-MRXNPFEDSA-N 1 2 403.483 -0.086 20 0 HBADLO C[C@H]1Oc2ccccc2N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605529214 1071071350 /nfs/dbraw/zinc/07/13/50/1071071350.db2.gz SGMPCEFFPHQGBC-CVEARBPZSA-N 1 2 416.478 -0.150 20 0 HBADLO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605529217 1071071234 /nfs/dbraw/zinc/07/12/34/1071071234.db2.gz SGMPCEFFPHQGBC-HOTGVXAUSA-N 1 2 416.478 -0.150 20 0 HBADLO C[C@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605529218 1071071020 /nfs/dbraw/zinc/07/10/20/1071071020.db2.gz SGMPCEFFPHQGBC-HZPDHXFCSA-N 1 2 416.478 -0.150 20 0 HBADLO C[C@@H]1Oc2ccccc2N(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC000605529220 1071070995 /nfs/dbraw/zinc/07/09/95/1071070995.db2.gz SGMPCEFFPHQGBC-JKSUJKDBSA-N 1 2 416.478 -0.150 20 0 HBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605529246 1071071295 /nfs/dbraw/zinc/07/12/95/1071071295.db2.gz TUMOKKBSWNPUOZ-CVEARBPZSA-N 1 2 416.544 -0.903 20 0 HBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605529249 1071071121 /nfs/dbraw/zinc/07/11/21/1071071121.db2.gz TUMOKKBSWNPUOZ-HOTGVXAUSA-N 1 2 416.544 -0.903 20 0 HBADLO CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605529250 1071071186 /nfs/dbraw/zinc/07/11/86/1071071186.db2.gz TUMOKKBSWNPUOZ-HZPDHXFCSA-N 1 2 416.544 -0.903 20 0 HBADLO CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000605529251 1071071385 /nfs/dbraw/zinc/07/13/85/1071071385.db2.gz TUMOKKBSWNPUOZ-JKSUJKDBSA-N 1 2 416.544 -0.903 20 0 HBADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529311 1068612845 /nfs/dbraw/zinc/61/28/45/1068612845.db2.gz VZJBNSSCROSFDQ-CYBMUJFWSA-N 1 2 414.484 -0.793 20 0 HBADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529312 1071071168 /nfs/dbraw/zinc/07/11/68/1071071168.db2.gz VZJBNSSCROSFDQ-ZDUSSCGKSA-N 1 2 414.484 -0.793 20 0 HBADLO NC(=O)c1cn(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc12 ZINC000605529378 1071070965 /nfs/dbraw/zinc/07/09/65/1071070965.db2.gz FXBFPABHKKWMHH-HNNXBMFYSA-N 1 2 413.478 -0.211 20 0 HBADLO NC(=O)c1cn(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c2ccccc12 ZINC000605529386 1071071040 /nfs/dbraw/zinc/07/10/40/1071071040.db2.gz FXBFPABHKKWMHH-OAHLLOKOSA-N 1 2 413.478 -0.211 20 0 HBADLO O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529452 1071070936 /nfs/dbraw/zinc/07/09/36/1071070936.db2.gz HKWQXJYFUNVBQM-AWEZNQCLSA-N 1 2 400.435 -0.668 20 0 HBADLO O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529456 1071071146 /nfs/dbraw/zinc/07/11/46/1071071146.db2.gz HKWQXJYFUNVBQM-CQSZACIVSA-N 1 2 400.435 -0.668 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000605529541 1071071987 /nfs/dbraw/zinc/07/19/87/1071071987.db2.gz JAEDGMAJUBJDFN-AWEZNQCLSA-N 1 2 419.873 -0.021 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1-n1cnnn1 ZINC000605529542 1071072161 /nfs/dbraw/zinc/07/21/61/1071072161.db2.gz JAEDGMAJUBJDFN-CQSZACIVSA-N 1 2 419.873 -0.021 20 0 HBADLO O=C(CN1C(=O)COc2ccccc21)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529552 1071072041 /nfs/dbraw/zinc/07/20/41/1071072041.db2.gz JKADIRHHMIELMA-HNNXBMFYSA-N 1 2 402.451 -0.539 20 0 HBADLO O=C(CN1C(=O)COc2ccccc21)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529553 1071071661 /nfs/dbraw/zinc/07/16/61/1071071661.db2.gz JKADIRHHMIELMA-OAHLLOKOSA-N 1 2 402.451 -0.539 20 0 HBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000605529624 1071072859 /nfs/dbraw/zinc/07/28/59/1071072859.db2.gz YIBZWCATPXJRGJ-CYBMUJFWSA-N 1 2 414.484 -0.807 20 0 HBADLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000605529625 1071073099 /nfs/dbraw/zinc/07/30/99/1071073099.db2.gz YIBZWCATPXJRGJ-ZDUSSCGKSA-N 1 2 414.484 -0.807 20 0 HBADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529630 1071072696 /nfs/dbraw/zinc/07/26/96/1071072696.db2.gz YQXATVIRVKCQFP-CYBMUJFWSA-N 1 2 403.439 -0.502 20 0 HBADLO Cc1oc2ncn(C)c(=O)c2c1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529631 1071073110 /nfs/dbraw/zinc/07/31/10/1071073110.db2.gz YQXATVIRVKCQFP-ZDUSSCGKSA-N 1 2 403.439 -0.502 20 0 HBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000605529768 1068612756 /nfs/dbraw/zinc/61/27/56/1068612756.db2.gz LKIJCWSOSVPWSU-NCOADZHNSA-N 1 2 420.510 -0.401 20 0 HBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000605529769 1071073038 /nfs/dbraw/zinc/07/30/38/1071073038.db2.gz LKIJCWSOSVPWSU-QBPKDAKJSA-N 1 2 420.510 -0.401 20 0 HBADLO C[C@H](C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000605529770 1071073061 /nfs/dbraw/zinc/07/30/61/1071073061.db2.gz LKIJCWSOSVPWSU-TWMKSMIVSA-N 1 2 420.510 -0.401 20 0 HBADLO C[C@H](C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000605529771 1071072586 /nfs/dbraw/zinc/07/25/86/1071072586.db2.gz LKIJCWSOSVPWSU-VQHPVUNQSA-N 1 2 420.510 -0.401 20 0 HBADLO O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529832 1071072775 /nfs/dbraw/zinc/07/27/75/1071072775.db2.gz MVNBPXQLPYYTBE-PBHICJAKSA-N 1 2 402.451 -0.175 20 0 HBADLO O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529834 1071073088 /nfs/dbraw/zinc/07/30/88/1071073088.db2.gz MVNBPXQLPYYTBE-RHSMWYFYSA-N 1 2 402.451 -0.175 20 0 HBADLO O=C(C[C@H]1Oc2ccccc2NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529836 1071072662 /nfs/dbraw/zinc/07/26/62/1071072662.db2.gz MVNBPXQLPYYTBE-WMLDXEAASA-N 1 2 402.451 -0.175 20 0 HBADLO O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605529838 1071072736 /nfs/dbraw/zinc/07/27/36/1071072736.db2.gz MVNBPXQLPYYTBE-YOEHRIQHSA-N 1 2 402.451 -0.175 20 0 HBADLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530160 1071073075 /nfs/dbraw/zinc/07/30/75/1071073075.db2.gz OEFJQDLNCPXVAR-HNNXBMFYSA-N 1 2 421.498 -0.710 20 0 HBADLO O=C(CN1C(=O)NC2(CCCCC2)C1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530163 1071072936 /nfs/dbraw/zinc/07/29/36/1071072936.db2.gz OEFJQDLNCPXVAR-OAHLLOKOSA-N 1 2 421.498 -0.710 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000605530225 1071072995 /nfs/dbraw/zinc/07/29/95/1071072995.db2.gz QAYRCBIFVNHMRW-MSOLQXFVSA-N 1 2 421.542 -0.037 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000605530227 1071072897 /nfs/dbraw/zinc/07/28/97/1071072897.db2.gz QAYRCBIFVNHMRW-QZTJIDSGSA-N 1 2 421.542 -0.037 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000605530229 1071072557 /nfs/dbraw/zinc/07/25/57/1071072557.db2.gz QAYRCBIFVNHMRW-ROUUACIJSA-N 1 2 421.542 -0.037 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000605530231 1071073019 /nfs/dbraw/zinc/07/30/19/1071073019.db2.gz QAYRCBIFVNHMRW-ZWKOTPCHSA-N 1 2 421.542 -0.037 20 0 HBADLO NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000605530298 1071072820 /nfs/dbraw/zinc/07/28/20/1071072820.db2.gz QSKRSMUAMWBNHM-LLVKDONJSA-N 1 2 402.498 -0.942 20 0 HBADLO NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)s1 ZINC000605530310 1071072965 /nfs/dbraw/zinc/07/29/65/1071072965.db2.gz QSKRSMUAMWBNHM-NSHDSACASA-N 1 2 402.498 -0.942 20 0 HBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530438 1071071841 /nfs/dbraw/zinc/07/18/41/1071071841.db2.gz RZXJIWNSNXVHEL-AWEZNQCLSA-N 1 2 410.496 -0.695 20 0 HBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605530448 1071071924 /nfs/dbraw/zinc/07/19/24/1071071924.db2.gz RZXJIWNSNXVHEL-CQSZACIVSA-N 1 2 410.496 -0.695 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2c([nH]c1=O)CCCC2=O ZINC000605531293 1071073726 /nfs/dbraw/zinc/07/37/26/1071073726.db2.gz WOJUQJIMDAVABD-CYBMUJFWSA-N 1 2 402.451 -0.031 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cc2c([nH]c1=O)CCCC2=O ZINC000605531306 1071073432 /nfs/dbraw/zinc/07/34/32/1071073432.db2.gz WOJUQJIMDAVABD-ZDUSSCGKSA-N 1 2 402.451 -0.031 20 0 HBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531532 1071073471 /nfs/dbraw/zinc/07/34/71/1071073471.db2.gz YFTKRPMTWAPPRU-GFCCVEGCSA-N 1 2 416.525 -0.633 20 0 HBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605531535 1071073502 /nfs/dbraw/zinc/07/35/02/1071073502.db2.gz YFTKRPMTWAPPRU-LBPRGKRZSA-N 1 2 416.525 -0.633 20 0 HBADLO O=C(Cn1nc(-c2ccccc2)oc1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605532067 1071073762 /nfs/dbraw/zinc/07/37/62/1071073762.db2.gz PKPCNXWCIXQOGX-INIZCTEOSA-N 1 2 415.450 -0.447 20 0 HBADLO O=C(Cn1nc(-c2ccccc2)oc1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000605532070 1071073596 /nfs/dbraw/zinc/07/35/96/1071073596.db2.gz PKPCNXWCIXQOGX-MRXNPFEDSA-N 1 2 415.450 -0.447 20 0 HBADLO CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605533055 1071073817 /nfs/dbraw/zinc/07/38/17/1071073817.db2.gz VGZNMMWFHWNKDS-HNNXBMFYSA-N 1 2 424.523 -0.434 20 0 HBADLO CNS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000605533058 1071073695 /nfs/dbraw/zinc/07/36/95/1071073695.db2.gz VGZNMMWFHWNKDS-OAHLLOKOSA-N 1 2 424.523 -0.434 20 0 HBADLO CN(C1CC1)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000605582525 1068937392 /nfs/dbraw/zinc/93/73/92/1068937392.db2.gz PABSAFDLTCADLA-UHFFFAOYSA-N 1 2 403.530 -0.538 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605598430 1071075916 /nfs/dbraw/zinc/07/59/16/1071075916.db2.gz NFNQLNZYIWPCFM-HNNXBMFYSA-N 1 2 418.560 -0.021 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605598431 1071076075 /nfs/dbraw/zinc/07/60/75/1071076075.db2.gz NFNQLNZYIWPCFM-OAHLLOKOSA-N 1 2 418.560 -0.021 20 0 HBADLO Cc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1S(N)(=O)=O ZINC000605665510 1071077256 /nfs/dbraw/zinc/07/72/56/1071077256.db2.gz PUIHJOJBZPTWFF-HNNXBMFYSA-N 1 2 410.496 -0.695 20 0 HBADLO Cc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1S(N)(=O)=O ZINC000605665511 1071077148 /nfs/dbraw/zinc/07/71/48/1071077148.db2.gz PUIHJOJBZPTWFF-OAHLLOKOSA-N 1 2 410.496 -0.695 20 0 HBADLO NS(=O)(=O)Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605665682 1071077915 /nfs/dbraw/zinc/07/79/15/1071077915.db2.gz WCKZEPSJWFTCES-INIZCTEOSA-N 1 2 410.496 -0.862 20 0 HBADLO NS(=O)(=O)Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000605665683 1071077701 /nfs/dbraw/zinc/07/77/01/1071077701.db2.gz WCKZEPSJWFTCES-MRXNPFEDSA-N 1 2 410.496 -0.862 20 0 HBADLO O=S(=O)(CCNS(=O)(=O)c1c[nH]cn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000605777056 1071077810 /nfs/dbraw/zinc/07/78/10/1071077810.db2.gz MNSSMYBAWPFBPJ-UHFFFAOYSA-N 1 2 400.486 -0.765 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605970623 1071083181 /nfs/dbraw/zinc/08/31/81/1071083181.db2.gz SPBPMPNYXKCMMV-HNNXBMFYSA-N 1 2 418.560 -0.021 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605970623 1071083175 /nfs/dbraw/zinc/08/31/75/1071083175.db2.gz SPBPMPNYXKCMMV-HNNXBMFYSA-N 1 2 418.560 -0.021 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000605970625 1071083034 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ZINC000606345624 1071104072 /nfs/dbraw/zinc/10/40/72/1071104072.db2.gz VNJJBQOTMIEBPQ-AWEZNQCLSA-N 1 2 401.467 -0.123 20 0 HBADLO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606345625 1071104286 /nfs/dbraw/zinc/10/42/86/1071104286.db2.gz VNJJBQOTMIEBPQ-CQSZACIVSA-N 1 2 401.467 -0.123 20 0 HBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606351126 1071105194 /nfs/dbraw/zinc/10/51/94/1071105194.db2.gz OTICVRHVYXZTKT-UHFFFAOYSA-N 1 2 416.482 -0.775 20 0 HBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606351126 1071105188 /nfs/dbraw/zinc/10/51/88/1071105188.db2.gz OTICVRHVYXZTKT-UHFFFAOYSA-N 1 2 416.482 -0.775 20 0 HBADLO NC(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606427972 1071111288 /nfs/dbraw/zinc/11/12/88/1071111288.db2.gz BDYWWFGWKDJYDY-HNNXBMFYSA-N 1 2 403.487 -0.248 20 0 HBADLO NC(=O)N1CCC[C@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606427972 1071111283 /nfs/dbraw/zinc/11/12/83/1071111283.db2.gz BDYWWFGWKDJYDY-HNNXBMFYSA-N 1 2 403.487 -0.248 20 0 HBADLO NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC000606427973 1071111012 /nfs/dbraw/zinc/11/10/12/1071111012.db2.gz BDYWWFGWKDJYDY-OAHLLOKOSA-N 1 2 403.487 -0.248 20 0 HBADLO NC(=O)N1CCC[C@@H](C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC000606427973 1071111001 /nfs/dbraw/zinc/11/10/01/1071111001.db2.gz BDYWWFGWKDJYDY-OAHLLOKOSA-N 1 2 403.487 -0.248 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)no1 ZINC000606428194 1069581560 /nfs/dbraw/zinc/58/15/60/1069581560.db2.gz PIMXYVFLQDFJJH-UHFFFAOYSA-N 1 2 401.427 -0.103 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)no1 ZINC000606428194 1069581553 /nfs/dbraw/zinc/58/15/53/1069581553.db2.gz PIMXYVFLQDFJJH-UHFFFAOYSA-N 1 2 401.427 -0.103 20 0 HBADLO CC(=O)N1CCN(C(=O)C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)CC1 ZINC000606446372 1071109443 /nfs/dbraw/zinc/10/94/43/1071109443.db2.gz LTPPEJNVBBBOMF-UHFFFAOYSA-N 1 2 419.501 -0.136 20 0 HBADLO O=c1n(CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc2ccccn21 ZINC000606454443 1071109560 /nfs/dbraw/zinc/10/95/60/1071109560.db2.gz VFZPQYSQHFYLNN-UHFFFAOYSA-N 1 2 410.482 -0.055 20 0 HBADLO CC1(C)NC(=O)N(CC[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1=O ZINC000606454515 1071110234 /nfs/dbraw/zinc/11/02/34/1071110234.db2.gz DPNGUJXOOLJLSM-UHFFFAOYSA-N 1 2 403.487 -0.234 20 0 HBADLO Cn1c(C[NH+]2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc(=O)n(C)c1=O ZINC000606454533 1071110292 /nfs/dbraw/zinc/11/02/92/1071110292.db2.gz GOHLHHQHIQSINK-UHFFFAOYSA-N 1 2 401.471 -0.967 20 0 HBADLO Cn1c(CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc(=O)n(C)c1=O ZINC000606454533 1071110287 /nfs/dbraw/zinc/11/02/87/1071110287.db2.gz GOHLHHQHIQSINK-UHFFFAOYSA-N 1 2 401.471 -0.967 20 0 HBADLO CC(=O)N1CCN(C(=O)CN2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC000606454615 1071110312 /nfs/dbraw/zinc/11/03/12/1071110312.db2.gz NQIGJEGULPLDLA-UHFFFAOYSA-N 1 2 417.514 -0.874 20 0 HBADLO Cn1cc(N2CC[C@H](N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2=O)cn1 ZINC000606454638 1071110404 /nfs/dbraw/zinc/11/04/04/1071110404.db2.gz RPCAYAZKUNMGKB-KRWDZBQOSA-N 1 2 412.498 -0.026 20 0 HBADLO Cn1cc(N2CC[C@@H](N3CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2=O)cn1 ZINC000606454639 1069280594 /nfs/dbraw/zinc/28/05/94/1069280594.db2.gz RPCAYAZKUNMGKB-QGZVFWFLSA-N 1 2 412.498 -0.026 20 0 HBADLO O=C(CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)NCC(=O)N1CCCC1 ZINC000606454674 1071109499 /nfs/dbraw/zinc/10/94/99/1071109499.db2.gz UGFOBSZOLDUPBE-UHFFFAOYSA-N 1 2 417.514 -0.826 20 0 HBADLO C[C@H](NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N(C)C ZINC000606454920 1071109479 /nfs/dbraw/zinc/10/94/79/1071109479.db2.gz SVUOYBNVQMDVII-HNNXBMFYSA-N 1 2 405.503 -0.972 20 0 HBADLO C[C@@H](NC(=O)CN1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C(=O)N(C)C ZINC000606454921 1071109573 /nfs/dbraw/zinc/10/95/73/1071109573.db2.gz SVUOYBNVQMDVII-OAHLLOKOSA-N 1 2 405.503 -0.972 20 0 HBADLO CN(CC1CC1)S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606456195 1071110388 /nfs/dbraw/zinc/11/03/88/1071110388.db2.gz WFSMEGAGXWNAGP-UHFFFAOYSA-N 1 2 417.557 -0.290 20 0 HBADLO COCCN(C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606466508 1071109421 /nfs/dbraw/zinc/10/94/21/1071109421.db2.gz CPIGLWXLAMFYHV-UHFFFAOYSA-N 1 2 400.505 -0.742 20 0 HBADLO COCCN(C)S(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606466508 1071109416 /nfs/dbraw/zinc/10/94/16/1071109416.db2.gz CPIGLWXLAMFYHV-UHFFFAOYSA-N 1 2 400.505 -0.742 20 0 HBADLO O=C1C[C@H](N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C(=O)N1c1cnccn1 ZINC000606468514 1071111248 /nfs/dbraw/zinc/11/12/48/1071111248.db2.gz GCTFCMKDQZLGGN-HNNXBMFYSA-N 1 2 424.465 -0.443 20 0 HBADLO O=C1C[C@@H](N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C(=O)N1c1cnccn1 ZINC000606468515 1071112156 /nfs/dbraw/zinc/11/21/56/1071112156.db2.gz GCTFCMKDQZLGGN-OAHLLOKOSA-N 1 2 424.465 -0.443 20 0 HBADLO O=C(CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)N1CCCC1 ZINC000606479764 1071112197 /nfs/dbraw/zinc/11/21/97/1071112197.db2.gz RIVNBPIAZSJSIU-UHFFFAOYSA-N 1 2 403.487 -0.233 20 0 HBADLO O=C(CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)N1CCCC1 ZINC000606479764 1071112194 /nfs/dbraw/zinc/11/21/94/1071112194.db2.gz RIVNBPIAZSJSIU-UHFFFAOYSA-N 1 2 403.487 -0.233 20 0 HBADLO CC(C)C(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606480995 1071111930 /nfs/dbraw/zinc/11/19/30/1071111930.db2.gz XKHDFMXCKGGWHB-UHFFFAOYSA-N 1 2 405.503 -0.083 20 0 HBADLO CC(C)C(=O)NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606480995 1071111911 /nfs/dbraw/zinc/11/19/11/1071111911.db2.gz XKHDFMXCKGGWHB-UHFFFAOYSA-N 1 2 405.503 -0.083 20 0 HBADLO CCn1cnnc1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606484860 1071112175 /nfs/dbraw/zinc/11/21/75/1071112175.db2.gz OOGOUQVKILCSCH-UHFFFAOYSA-N 1 2 401.475 -0.044 20 0 HBADLO CCn1cnnc1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606484860 1071112172 /nfs/dbraw/zinc/11/21/72/1071112172.db2.gz OOGOUQVKILCSCH-UHFFFAOYSA-N 1 2 401.475 -0.044 20 0 HBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)C1CC1 ZINC000606487311 1071112080 /nfs/dbraw/zinc/11/20/80/1071112080.db2.gz LGILWQNVLFUWQX-UHFFFAOYSA-N 1 2 403.487 -0.329 20 0 HBADLO O=C(NCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)C1CC1 ZINC000606487311 1071112072 /nfs/dbraw/zinc/11/20/72/1071112072.db2.gz LGILWQNVLFUWQX-UHFFFAOYSA-N 1 2 403.487 -0.329 20 0 HBADLO O=C(NCCCn1cncn1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606487568 1071112211 /nfs/dbraw/zinc/11/22/11/1071112211.db2.gz CZPQBPJDKSCVMM-UHFFFAOYSA-N 1 2 401.475 -0.173 20 0 HBADLO O=C(NCCCn1cncn1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606487568 1071112207 /nfs/dbraw/zinc/11/22/07/1071112207.db2.gz CZPQBPJDKSCVMM-UHFFFAOYSA-N 1 2 401.475 -0.173 20 0 HBADLO CN1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000606489925 1071111963 /nfs/dbraw/zinc/11/19/63/1071111963.db2.gz MWRDGNWGIGQGJE-HNNXBMFYSA-N 1 2 424.527 -0.547 20 0 HBADLO CN1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000606489926 1071112141 /nfs/dbraw/zinc/11/21/41/1071112141.db2.gz MWRDGNWGIGQGJE-OAHLLOKOSA-N 1 2 424.527 -0.547 20 0 HBADLO CS(=O)(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606495595 1071111196 /nfs/dbraw/zinc/11/11/96/1071111196.db2.gz XRDAACVUCFTPKQ-UHFFFAOYSA-N 1 2 412.516 -0.421 20 0 HBADLO CS(=O)(=O)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606495595 1071111191 /nfs/dbraw/zinc/11/11/91/1071111191.db2.gz XRDAACVUCFTPKQ-UHFFFAOYSA-N 1 2 412.516 -0.421 20 0 HBADLO C[C@@H](Cn1cncn1)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606500370 1071111121 /nfs/dbraw/zinc/11/11/21/1071111121.db2.gz OERBDJGFCGJZOL-HNNXBMFYSA-N 1 2 401.475 -0.175 20 0 HBADLO C[C@@H](Cn1cncn1)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606500370 1071111113 /nfs/dbraw/zinc/11/11/13/1071111113.db2.gz OERBDJGFCGJZOL-HNNXBMFYSA-N 1 2 401.475 -0.175 20 0 HBADLO C[C@H](Cn1cncn1)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606500371 1071110857 /nfs/dbraw/zinc/11/08/57/1071110857.db2.gz OERBDJGFCGJZOL-OAHLLOKOSA-N 1 2 401.475 -0.175 20 0 HBADLO C[C@H](Cn1cncn1)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606500371 1071110849 /nfs/dbraw/zinc/11/08/49/1071110849.db2.gz OERBDJGFCGJZOL-OAHLLOKOSA-N 1 2 401.475 -0.175 20 0 HBADLO O=C(NCCN1C(=O)CCC1=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606505642 1071112915 /nfs/dbraw/zinc/11/29/15/1071112915.db2.gz RRHLJBRNQFQYBA-UHFFFAOYSA-N 1 2 417.470 -0.706 20 0 HBADLO O=C(NCCN1C(=O)CCC1=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606505642 1071112912 /nfs/dbraw/zinc/11/29/12/1071112912.db2.gz RRHLJBRNQFQYBA-UHFFFAOYSA-N 1 2 417.470 -0.706 20 0 HBADLO CN1C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1=O ZINC000606527071 1071112987 /nfs/dbraw/zinc/11/29/87/1071112987.db2.gz VLVSSHLYWYBJSB-HNNXBMFYSA-N 1 2 403.487 -0.234 20 0 HBADLO CN1C[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1=O ZINC000606527071 1071112984 /nfs/dbraw/zinc/11/29/84/1071112984.db2.gz VLVSSHLYWYBJSB-HNNXBMFYSA-N 1 2 403.487 -0.234 20 0 HBADLO CN1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CCC1=O ZINC000606527072 1071112955 /nfs/dbraw/zinc/11/29/55/1071112955.db2.gz VLVSSHLYWYBJSB-OAHLLOKOSA-N 1 2 403.487 -0.234 20 0 HBADLO CN1C[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CCC1=O ZINC000606527072 1071112949 /nfs/dbraw/zinc/11/29/49/1071112949.db2.gz VLVSSHLYWYBJSB-OAHLLOKOSA-N 1 2 403.487 -0.234 20 0 HBADLO O=C(CNC(=O)c1ccco1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606537714 1069283536 /nfs/dbraw/zinc/28/35/36/1069283536.db2.gz RESSLKMALAUAHS-UHFFFAOYSA-N 1 2 400.439 -0.015 20 0 HBADLO O=C(CNC(=O)c1ccco1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606537714 1069283520 /nfs/dbraw/zinc/28/35/20/1069283520.db2.gz RESSLKMALAUAHS-UHFFFAOYSA-N 1 2 400.439 -0.015 20 0 HBADLO O=C(CNC(=O)c1ccncc1)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606537879 1071114599 /nfs/dbraw/zinc/11/45/99/1071114599.db2.gz QQJKSGXMCKYYFY-UHFFFAOYSA-N 1 2 411.466 -0.213 20 0 HBADLO O=C(CNC(=O)c1ccncc1)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606537879 1071114595 /nfs/dbraw/zinc/11/45/95/1071114595.db2.gz QQJKSGXMCKYYFY-UHFFFAOYSA-N 1 2 411.466 -0.213 20 0 HBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606689002 1071115741 /nfs/dbraw/zinc/11/57/41/1071115741.db2.gz NYYPTTHRPGNJPL-AWEZNQCLSA-N 1 2 412.516 -0.422 20 0 HBADLO C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606689002 1071115731 /nfs/dbraw/zinc/11/57/31/1071115731.db2.gz NYYPTTHRPGNJPL-AWEZNQCLSA-N 1 2 412.516 -0.422 20 0 HBADLO C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000606689003 1071115568 /nfs/dbraw/zinc/11/55/68/1071115568.db2.gz NYYPTTHRPGNJPL-CQSZACIVSA-N 1 2 412.516 -0.422 20 0 HBADLO C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000606689003 1071115560 /nfs/dbraw/zinc/11/55/60/1071115560.db2.gz NYYPTTHRPGNJPL-CQSZACIVSA-N 1 2 412.516 -0.422 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)n(C)n1 ZINC000606752896 1071118979 /nfs/dbraw/zinc/11/89/79/1071118979.db2.gz DTAWXYZCZQTGPM-UHFFFAOYSA-N 1 2 414.470 -0.358 20 0 HBADLO Cc1cc(NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)n(C)n1 ZINC000606752896 1071118974 /nfs/dbraw/zinc/11/89/74/1071118974.db2.gz DTAWXYZCZQTGPM-UHFFFAOYSA-N 1 2 414.470 -0.358 20 0 HBADLO COC[C@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606970608 1071125756 /nfs/dbraw/zinc/12/57/56/1071125756.db2.gz KLKXNLAARSNQBC-HNNXBMFYSA-N 1 2 415.516 -0.770 20 0 HBADLO COC[C@@H](CCO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000606970612 1071125817 /nfs/dbraw/zinc/12/58/17/1071125817.db2.gz KLKXNLAARSNQBC-OAHLLOKOSA-N 1 2 415.516 -0.770 20 0 HBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000606974680 1069304249 /nfs/dbraw/zinc/30/42/49/1069304249.db2.gz NVWKPVSZUHPYCK-KRWDZBQOSA-N 1 2 404.467 -0.307 20 0 HBADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000606974680 1069304235 /nfs/dbraw/zinc/30/42/35/1069304235.db2.gz NVWKPVSZUHPYCK-KRWDZBQOSA-N 1 2 404.467 -0.307 20 0 HBADLO CC(C)[N@@H+](CC(N)=O)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000606974681 1069304526 /nfs/dbraw/zinc/30/45/26/1069304526.db2.gz NVWKPVSZUHPYCK-QGZVFWFLSA-N 1 2 404.467 -0.307 20 0 HBADLO CC(C)[N@H+](CC(N)=O)CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000606974681 1069304513 /nfs/dbraw/zinc/30/45/13/1069304513.db2.gz NVWKPVSZUHPYCK-QGZVFWFLSA-N 1 2 404.467 -0.307 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000607000364 1071126591 /nfs/dbraw/zinc/12/65/91/1071126591.db2.gz JDZVZXQDAPDGCK-UHFFFAOYSA-N 1 2 408.480 -0.730 20 0 HBADLO CNS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607042641 1071129083 /nfs/dbraw/zinc/12/90/83/1071129083.db2.gz KKEKCYAQGPJGBB-UHFFFAOYSA-N 1 2 406.512 -0.037 20 0 HBADLO COCCNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607042866 1071128825 /nfs/dbraw/zinc/12/88/25/1071128825.db2.gz PZGWGVUJYVWEMQ-UHFFFAOYSA-N 1 2 422.511 -0.339 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607043324 1071128789 /nfs/dbraw/zinc/12/87/89/1071128789.db2.gz AQFYRGVIDFQHGD-ZDUSSCGKSA-N 1 2 411.488 -0.606 20 0 HBADLO O=C(CNC(=O)c1cnc2ccccc2c1O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607052235 1071127834 /nfs/dbraw/zinc/12/78/34/1071127834.db2.gz BIBYTPQCOBPDDO-UHFFFAOYSA-N 1 2 409.450 -0.306 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC000607052498 1071127853 /nfs/dbraw/zinc/12/78/53/1071127853.db2.gz QQIDMDLYVHMWGO-AWEZNQCLSA-N 1 2 410.475 -0.072 20 0 HBADLO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000607052529 1071127883 /nfs/dbraw/zinc/12/78/83/1071127883.db2.gz RXMIRZZCCIDBCG-BEFAXECRSA-N 1 2 403.487 -0.077 20 0 HBADLO C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000607052530 1071127949 /nfs/dbraw/zinc/12/79/49/1071127949.db2.gz RXMIRZZCCIDBCG-DNVCBOLYSA-N 1 2 403.487 -0.077 20 0 HBADLO C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000607052670 1071128106 /nfs/dbraw/zinc/12/81/06/1071128106.db2.gz RXMIRZZCCIDBCG-HNAYVOBHSA-N 1 2 403.487 -0.077 20 0 HBADLO C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CC[NH+](CCn3cncn3)CC1)C2=O ZINC000607052671 1071127966 /nfs/dbraw/zinc/12/79/66/1071127966.db2.gz RXMIRZZCCIDBCG-KXBFYZLASA-N 1 2 403.487 -0.077 20 0 HBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000607052707 1071128133 /nfs/dbraw/zinc/12/81/33/1071128133.db2.gz XRCHIDSRLSEXQT-HNNXBMFYSA-N 1 2 422.511 -0.202 20 0 HBADLO Cc1ncc(Cl)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000607053674 1071128059 /nfs/dbraw/zinc/12/80/59/1071128059.db2.gz LPCHQEBXHLLDAV-UHFFFAOYSA-N 1 2 402.908 -0.312 20 0 HBADLO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000607133483 1071130901 /nfs/dbraw/zinc/13/09/01/1071130901.db2.gz DNBKVHUBXCPNIX-ARFHVFGLSA-N 1 2 401.529 -0.361 20 0 HBADLO CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000607133484 1071130853 /nfs/dbraw/zinc/13/08/53/1071130853.db2.gz DNBKVHUBXCPNIX-BZUAXINKSA-N 1 2 401.529 -0.361 20 0 HBADLO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000607133485 1071130786 /nfs/dbraw/zinc/13/07/86/1071130786.db2.gz DNBKVHUBXCPNIX-HRCADAONSA-N 1 2 401.529 -0.361 20 0 HBADLO CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000607133486 1071130627 /nfs/dbraw/zinc/13/06/27/1071130627.db2.gz DNBKVHUBXCPNIX-OWCLPIDISA-N 1 2 401.529 -0.361 20 0 HBADLO CC(C)CN(C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000607152852 1071130574 /nfs/dbraw/zinc/13/05/74/1071130574.db2.gz YOMOFTYMLNWISS-UHFFFAOYSA-N 1 2 403.593 -0.011 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)CCCS(C)(=O)=O)CC1 ZINC000607158545 1071131737 /nfs/dbraw/zinc/13/17/37/1071131737.db2.gz YCGRAGKUEFRINV-UHFFFAOYSA-N 1 2 402.502 -0.750 20 0 HBADLO CS(=O)(=O)CCCS(=O)(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000607158703 1071131703 /nfs/dbraw/zinc/13/17/03/1071131703.db2.gz FSWMVOGORQMSCH-UHFFFAOYSA-N 1 2 418.541 -0.526 20 0 HBADLO CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000607231916 1071133536 /nfs/dbraw/zinc/13/35/36/1071133536.db2.gz KBXAXIYGAGLWNR-UHFFFAOYSA-N 1 2 410.500 -0.983 20 0 HBADLO CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCOCC1 ZINC000607282275 1071136532 /nfs/dbraw/zinc/13/65/32/1071136532.db2.gz GULBOQBKRZPOQS-GFCCVEGCSA-N 1 2 402.473 -0.870 20 0 HBADLO CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCC(N)=O)o1)[NH+]1CCOCC1 ZINC000607282280 1071137251 /nfs/dbraw/zinc/13/72/51/1071137251.db2.gz GULBOQBKRZPOQS-LBPRGKRZSA-N 1 2 402.473 -0.870 20 0 HBADLO Cc1nnc(CN(C)CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1C ZINC000607284642 1071138223 /nfs/dbraw/zinc/13/82/23/1071138223.db2.gz KLAOXCCRUJVYSH-UHFFFAOYSA-N 1 2 414.514 -0.195 20 0 HBADLO CC(C)c1nc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c[nH]1 ZINC000607286892 1071138121 /nfs/dbraw/zinc/13/81/21/1071138121.db2.gz DNLUPPLENTUCHP-UHFFFAOYSA-N 1 2 420.561 -0.668 20 0 HBADLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000607352818 1071141479 /nfs/dbraw/zinc/14/14/79/1071141479.db2.gz OEFBAJQQQQOSEI-FGTMMUONSA-N 1 2 409.527 -0.054 20 0 HBADLO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000607352819 1071141345 /nfs/dbraw/zinc/14/13/45/1071141345.db2.gz OEFBAJQQQQOSEI-KZNAEPCWSA-N 1 2 409.527 -0.054 20 0 HBADLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000607352820 1071141464 /nfs/dbraw/zinc/14/14/64/1071141464.db2.gz OEFBAJQQQQOSEI-OKZBNKHCSA-N 1 2 409.527 -0.054 20 0 HBADLO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000607352821 1071141310 /nfs/dbraw/zinc/14/13/10/1071141310.db2.gz OEFBAJQQQQOSEI-RCCFBDPRSA-N 1 2 409.527 -0.054 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607372200 1071142208 /nfs/dbraw/zinc/14/22/08/1071142208.db2.gz KYMQCGNRTJHPLC-AWEZNQCLSA-N 1 2 414.532 -0.407 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607372201 1071142348 /nfs/dbraw/zinc/14/23/48/1071142348.db2.gz KYMQCGNRTJHPLC-CQSZACIVSA-N 1 2 414.532 -0.407 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607412336 1071143218 /nfs/dbraw/zinc/14/32/18/1071143218.db2.gz FGINQZUURXKMEQ-AWEZNQCLSA-N 1 2 414.532 -0.407 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607412336 1071143214 /nfs/dbraw/zinc/14/32/14/1071143214.db2.gz FGINQZUURXKMEQ-AWEZNQCLSA-N 1 2 414.532 -0.407 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607412337 1071143050 /nfs/dbraw/zinc/14/30/50/1071143050.db2.gz FGINQZUURXKMEQ-CQSZACIVSA-N 1 2 414.532 -0.407 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607412337 1071143045 /nfs/dbraw/zinc/14/30/45/1071143045.db2.gz FGINQZUURXKMEQ-CQSZACIVSA-N 1 2 414.532 -0.407 20 0 HBADLO CN(CC[NH+]1CCOCC1)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607422753 1071143071 /nfs/dbraw/zinc/14/30/71/1071143071.db2.gz MVLVIHJNFAYNLR-UHFFFAOYSA-N 1 2 414.532 -0.453 20 0 HBADLO COCCNC(=O)CN1CCN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000607545893 1071143929 /nfs/dbraw/zinc/14/39/29/1071143929.db2.gz STJNZJCUVWGCHB-UHFFFAOYSA-N 1 2 423.583 -0.228 20 0 HBADLO COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1C(N)=O ZINC000607616256 1071145468 /nfs/dbraw/zinc/14/54/68/1071145468.db2.gz JXGIUEPPIFHRLA-UHFFFAOYSA-N 1 2 424.483 -0.531 20 0 HBADLO C[NH+](C)CCNC(=O)Cn1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1 ZINC000607616486 1071145486 /nfs/dbraw/zinc/14/54/86/1071145486.db2.gz SPIKIYYRFWFLKB-UHFFFAOYSA-N 1 2 420.451 -0.755 20 0 HBADLO CNC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000607616745 1071146287 /nfs/dbraw/zinc/14/62/87/1071146287.db2.gz XBLZAQLGNQFCNK-UHFFFAOYSA-N 1 2 408.484 -0.279 20 0 HBADLO Cn1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000607693731 1071148462 /nfs/dbraw/zinc/14/84/62/1071148462.db2.gz QBHXVCHWUUZLBQ-DLBZAZTESA-N 1 2 404.515 -0.314 20 0 HBADLO Cn1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000607693732 1071148399 /nfs/dbraw/zinc/14/83/99/1071148399.db2.gz QBHXVCHWUUZLBQ-IAGOWNOFSA-N 1 2 404.515 -0.314 20 0 HBADLO Cn1cc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000607693733 1071148604 /nfs/dbraw/zinc/14/86/04/1071148604.db2.gz QBHXVCHWUUZLBQ-IRXDYDNUSA-N 1 2 404.515 -0.314 20 0 HBADLO Cn1cc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)cn1 ZINC000607693734 1071148537 /nfs/dbraw/zinc/14/85/37/1071148537.db2.gz QBHXVCHWUUZLBQ-SJORKVTESA-N 1 2 404.515 -0.314 20 0 HBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CC[NH+]2CCOCC2)s1 ZINC000607721030 1071151549 /nfs/dbraw/zinc/15/15/49/1071151549.db2.gz QHFBBXQPTWEDEP-UHFFFAOYSA-N 1 2 418.541 -0.547 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1)N1CCOCC1 ZINC000607722974 1071151842 /nfs/dbraw/zinc/15/18/42/1071151842.db2.gz JCHDRLNJOPRHPN-UHFFFAOYSA-N 1 2 406.512 -0.463 20 0 HBADLO O=C(C(=O)N1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1)N1CCOCC1 ZINC000607722974 1071151835 /nfs/dbraw/zinc/15/18/35/1071151835.db2.gz JCHDRLNJOPRHPN-UHFFFAOYSA-N 1 2 406.512 -0.463 20 0 HBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000608008498 1071155473 /nfs/dbraw/zinc/15/54/73/1071155473.db2.gz JBOFYOUJSJTRBU-AWEZNQCLSA-N 1 2 400.501 -0.124 20 0 HBADLO COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000608008499 1071155650 /nfs/dbraw/zinc/15/56/50/1071155650.db2.gz JBOFYOUJSJTRBU-CQSZACIVSA-N 1 2 400.501 -0.124 20 0 HBADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@H]([NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)c1 ZINC000608017016 1071155599 /nfs/dbraw/zinc/15/55/99/1071155599.db2.gz KGNWJCVRYSHGTN-INIZCTEOSA-N 1 2 420.491 -0.044 20 0 HBADLO NS(=O)(=O)c1cccc(N2C(=O)C[C@@H]([NH+]3CCC(NC(=O)C4CC4)CC3)C2=O)c1 ZINC000608017017 1071156293 /nfs/dbraw/zinc/15/62/93/1071156293.db2.gz KGNWJCVRYSHGTN-MRXNPFEDSA-N 1 2 420.491 -0.044 20 0 HBADLO Cc1nc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc[nH+]1 ZINC000608078507 1071157184 /nfs/dbraw/zinc/15/71/84/1071157184.db2.gz CGAHTGRPQJXETD-UHFFFAOYSA-N 1 2 402.436 -0.174 20 0 HBADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCc3cc(S(N)(=O)=O)ccc31)CC2 ZINC000608096172 1071159005 /nfs/dbraw/zinc/15/90/05/1071159005.db2.gz CDXZSUCFULFKOH-UHFFFAOYSA-N 1 2 417.491 -0.142 20 0 HBADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCc3cc(S(N)(=O)=O)ccc31)CC2 ZINC000608096172 1071159000 /nfs/dbraw/zinc/15/90/00/1071159000.db2.gz CDXZSUCFULFKOH-UHFFFAOYSA-N 1 2 417.491 -0.142 20 0 HBADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000608096263 1071158921 /nfs/dbraw/zinc/15/89/21/1071158921.db2.gz NGSREBFJNZCMKZ-UHFFFAOYSA-N 1 2 419.507 -0.372 20 0 HBADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000608096263 1071158917 /nfs/dbraw/zinc/15/89/17/1071158917.db2.gz NGSREBFJNZCMKZ-UHFFFAOYSA-N 1 2 419.507 -0.372 20 0 HBADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)CC2 ZINC000608096387 1071158955 /nfs/dbraw/zinc/15/89/55/1071158955.db2.gz ZCYMYGJZRPVAHL-UHFFFAOYSA-N 1 2 418.542 -0.320 20 0 HBADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)CC2 ZINC000608096387 1071158952 /nfs/dbraw/zinc/15/89/52/1071158952.db2.gz ZCYMYGJZRPVAHL-UHFFFAOYSA-N 1 2 418.542 -0.320 20 0 HBADLO CCn1nc2c(cc1=O)C[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC2 ZINC000608096725 1070578373 /nfs/dbraw/zinc/57/83/73/1070578373.db2.gz ZUCORSHXUJVXCS-UHFFFAOYSA-N 1 2 413.544 -0.202 20 0 HBADLO CCn1nc2c(cc1=O)C[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)CC2 ZINC000608096725 1070578355 /nfs/dbraw/zinc/57/83/55/1070578355.db2.gz ZUCORSHXUJVXCS-UHFFFAOYSA-N 1 2 413.544 -0.202 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(=O)N1c1cnn(C)c1 ZINC000608237531 1071162126 /nfs/dbraw/zinc/16/21/26/1071162126.db2.gz KHDLAXGTVCTKIK-BFYDXBDKSA-N 1 2 418.498 -0.789 20 0 HBADLO 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1071172514 /nfs/dbraw/zinc/17/25/14/1071172514.db2.gz WVYDLLQDVOGZDJ-OAHLLOKOSA-N 1 2 404.467 -0.114 20 0 HBADLO C[C@H]1CC(=O)NCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000608637482 1071176318 /nfs/dbraw/zinc/17/63/18/1071176318.db2.gz QLMGCKZEPFBOEE-HNNXBMFYSA-N 1 2 424.527 -0.547 20 0 HBADLO C[C@@H]1CC(=O)NCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000608637483 1071176159 /nfs/dbraw/zinc/17/61/59/1071176159.db2.gz QLMGCKZEPFBOEE-OAHLLOKOSA-N 1 2 424.527 -0.547 20 0 HBADLO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000608661024 1071177011 /nfs/dbraw/zinc/17/70/11/1071177011.db2.gz DJQPWKKRJOXROQ-INIZCTEOSA-N 1 2 403.549 -0.930 20 0 HBADLO CS(=O)(=O)N1CCN(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000608661025 1071176828 /nfs/dbraw/zinc/17/68/28/1071176828.db2.gz DJQPWKKRJOXROQ-MRXNPFEDSA-N 1 2 403.549 -0.930 20 0 HBADLO CS(=O)(=O)N1CCN(CCNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000608661267 1071176750 /nfs/dbraw/zinc/17/67/50/1071176750.db2.gz 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Cn1ccnc(N2CCN(C(=O)Nc3ccn(CC[NH+]4CCOCC4)n3)CC2)c1=O ZINC000608770912 1071182266 /nfs/dbraw/zinc/18/22/66/1071182266.db2.gz HNADQRQJZGFJGX-UHFFFAOYSA-N 1 2 416.486 -0.337 20 0 HBADLO COC(=O)[C@H](C)C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000608862827 1068334419 /nfs/dbraw/zinc/33/44/19/1068334419.db2.gz NYTMRLLMVFGPSI-GDBMZVCRSA-N 1 2 401.529 -0.409 20 0 HBADLO COC(=O)[C@H](C)C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000608862827 1068334414 /nfs/dbraw/zinc/33/44/14/1068334414.db2.gz NYTMRLLMVFGPSI-GDBMZVCRSA-N 1 2 401.529 -0.409 20 0 HBADLO COC(=O)[C@@H](C)C[N@@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000608862846 1071186494 /nfs/dbraw/zinc/18/64/94/1071186494.db2.gz NYTMRLLMVFGPSI-GOEBONIOSA-N 1 2 401.529 -0.409 20 0 HBADLO COC(=O)[C@@H](C)C[N@H+](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)C1CC1 ZINC000608862846 1071186487 /nfs/dbraw/zinc/18/64/87/1071186487.db2.gz NYTMRLLMVFGPSI-GOEBONIOSA-N 1 2 401.529 -0.409 20 0 HBADLO 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COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)cc2)[nH]1 ZINC000609531288 1072066322 /nfs/dbraw/zinc/06/63/22/1072066322.db2.gz MOINUIVKCVHVRQ-QGZVFWFLSA-N 1 2 401.467 -0.143 20 0 HBADLO COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)cc2)[nH]1 ZINC000609531288 1072066311 /nfs/dbraw/zinc/06/63/11/1072066311.db2.gz MOINUIVKCVHVRQ-QGZVFWFLSA-N 1 2 401.467 -0.143 20 0 HBADLO COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609630352 1072070100 /nfs/dbraw/zinc/07/01/00/1072070100.db2.gz INFJPJKSLXGGLA-DLBZAZTESA-N 1 2 411.499 -0.262 20 0 HBADLO COC(=O)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609630353 1072070047 /nfs/dbraw/zinc/07/00/47/1072070047.db2.gz INFJPJKSLXGGLA-IAGOWNOFSA-N 1 2 411.499 -0.262 20 0 HBADLO COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609630354 1072070018 /nfs/dbraw/zinc/07/00/18/1072070018.db2.gz INFJPJKSLXGGLA-IRXDYDNUSA-N 1 2 411.499 -0.262 20 0 HBADLO COC(=O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609630355 1072070137 /nfs/dbraw/zinc/07/01/37/1072070137.db2.gz INFJPJKSLXGGLA-SJORKVTESA-N 1 2 411.499 -0.262 20 0 HBADLO C[S@@](=O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000609745028 1071268154 /nfs/dbraw/zinc/26/81/54/1071268154.db2.gz VNGJXVFQVLIIIP-AREMUKBSSA-N 1 2 417.557 -0.399 20 0 HBADLO C[S@](=O)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000609745029 1071268018 /nfs/dbraw/zinc/26/80/18/1071268018.db2.gz VNGJXVFQVLIIIP-SANMLTNESA-N 1 2 417.557 -0.399 20 0 HBADLO COC(=O)CN(CCC(=O)N1CCN(c2ncccn2)CC1)CC[NH+]1CCOCC1 ZINC000609807099 1072075160 /nfs/dbraw/zinc/07/51/60/1072075160.db2.gz ZQIMZAQOTLPPRB-UHFFFAOYSA-N 1 2 420.514 -0.678 20 0 HBADLO CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609855031 1072078193 /nfs/dbraw/zinc/07/81/93/1072078193.db2.gz GRNZUXPUFRDMQO-CABCVRRESA-N 1 2 400.545 -0.316 20 0 HBADLO CCC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 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1 2 402.495 -0.010 20 0 HBADLO O=C(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)NCc1ccccc1 ZINC000623134122 1072202541 /nfs/dbraw/zinc/20/25/41/1072202541.db2.gz PCUARHSUVPVPJU-SFHVURJKSA-N 1 2 402.495 -0.010 20 0 HBADLO Cn1cc(C(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000623220739 1072204911 /nfs/dbraw/zinc/20/49/11/1072204911.db2.gz LMKKIJBAMQAPQZ-UHFFFAOYSA-N 1 2 406.468 -0.734 20 0 HBADLO O=C(Cc1cccc(F)c1)NCCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000623497893 1072211761 /nfs/dbraw/zinc/21/17/61/1072211761.db2.gz OOELWAVGULEDBP-KRWDZBQOSA-N 1 2 420.485 -0.219 20 0 HBADLO O=C(Cc1cccc(F)c1)NCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000623497894 1072211834 /nfs/dbraw/zinc/21/18/34/1072211834.db2.gz OOELWAVGULEDBP-QGZVFWFLSA-N 1 2 420.485 -0.219 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000623502808 1072211736 /nfs/dbraw/zinc/21/17/36/1072211736.db2.gz UHRPZAMARBVORB-HKUYNNGSSA-N 1 2 400.479 -0.133 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000623502809 1072211869 /nfs/dbraw/zinc/21/18/69/1072211869.db2.gz UHRPZAMARBVORB-IEBWSBKVSA-N 1 2 400.479 -0.133 20 0 HBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@@H]1c1ccccc1 ZINC000623502810 1072211892 /nfs/dbraw/zinc/21/18/92/1072211892.db2.gz UHRPZAMARBVORB-MJGOQNOKSA-N 1 2 400.479 -0.133 20 0 HBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000623502811 1071241078 /nfs/dbraw/zinc/24/10/78/1071241078.db2.gz UHRPZAMARBVORB-PKOBYXMFSA-N 1 2 400.479 -0.133 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H](O)COCC2CC2)CC1 ZINC000623579400 1072212973 /nfs/dbraw/zinc/21/29/73/1072212973.db2.gz NKGLCRVSMIIWEL-INIZCTEOSA-N 1 2 418.494 -0.084 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H](O)COCC2CC2)CC1 ZINC000623579401 1072213153 /nfs/dbraw/zinc/21/31/53/1072213153.db2.gz NKGLCRVSMIIWEL-MRXNPFEDSA-N 1 2 418.494 -0.084 20 0 HBADLO NS(=O)(=O)c1ccc(OCC(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000624033258 1068976322 /nfs/dbraw/zinc/97/63/22/1068976322.db2.gz WOUWZQFHHDAWQC-UHFFFAOYSA-N 1 2 424.523 -0.131 20 0 HBADLO NS(=O)(=O)c1ccc(OCC(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1 ZINC000624033258 1068976312 /nfs/dbraw/zinc/97/63/12/1068976312.db2.gz WOUWZQFHHDAWQC-UHFFFAOYSA-N 1 2 424.523 -0.131 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C(=O)NC2CC2)CC1 ZINC000624037574 1068977135 /nfs/dbraw/zinc/97/71/35/1068977135.db2.gz RTTLEWOYSBOGSS-UHFFFAOYSA-N 1 2 421.523 -0.292 20 0 HBADLO NS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000624040801 1068977097 /nfs/dbraw/zinc/97/70/97/1068977097.db2.gz LVGDLAOPBFKHSA-UHFFFAOYSA-N 1 2 420.495 -0.559 20 0 HBADLO NS(=O)(=O)Cc1cccc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000624040997 1068976790 /nfs/dbraw/zinc/97/67/90/1068976790.db2.gz XYIANADPSHSUMO-UHFFFAOYSA-N 1 2 404.496 -0.183 20 0 HBADLO Cc1cccn2cc(CC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nc12 ZINC000624578709 1069118627 /nfs/dbraw/zinc/11/86/27/1069118627.db2.gz VPLXPWQXRRVFAU-UHFFFAOYSA-N 1 2 420.539 -0.178 20 0 HBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000624674855 1069123777 /nfs/dbraw/zinc/12/37/77/1069123777.db2.gz XXMJLEWBHIWDMP-UHFFFAOYSA-N 1 2 414.528 -0.113 20 0 HBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000624674855 1069123767 /nfs/dbraw/zinc/12/37/67/1069123767.db2.gz XXMJLEWBHIWDMP-UHFFFAOYSA-N 1 2 414.528 -0.113 20 0 HBADLO C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000643016209 1069027404 /nfs/dbraw/zinc/02/74/04/1069027404.db2.gz JPHWGHHOWXGCRB-INIZCTEOSA-N 1 2 417.510 -0.150 20 0 HBADLO C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000643016210 1069027433 /nfs/dbraw/zinc/02/74/33/1069027433.db2.gz JPHWGHHOWXGCRB-MRXNPFEDSA-N 1 2 417.510 -0.150 20 0 HBADLO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CC(=O)N(c2cnccn2)C1=O ZINC000644847913 1069259472 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/nfs/dbraw/zinc/16/57/35/1069165735.db2.gz SABRMXNUNUASBO-ZBFHGGJFSA-N 1 2 413.482 -0.130 20 0 HBADLO COc1c(C)cnc(Cn2cnc(=NC(=O)C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)[nH]2)c1C ZINC000645615665 1069165724 /nfs/dbraw/zinc/16/57/24/1069165724.db2.gz SABRMXNUNUASBO-ZBFHGGJFSA-N 1 2 413.482 -0.130 20 0 HBADLO C[N@H+]1C[C@H]2CCN(C(=O)C(=O)N=c3ncn(CC(=O)N4CCCCCC4)[nH]3)[C@@H]2C1 ZINC000645619300 1069164698 /nfs/dbraw/zinc/16/46/98/1069164698.db2.gz LOCYCHBDYXMPNT-HUUCEWRRSA-N 1 2 403.487 -0.796 20 0 HBADLO C[N@@H+]1C[C@H]2CCN(C(=O)C(=O)N=c3ncn(CC(=O)N4CCCCCC4)[nH]3)[C@@H]2C1 ZINC000645619300 1069164691 /nfs/dbraw/zinc/16/46/91/1069164691.db2.gz LOCYCHBDYXMPNT-HUUCEWRRSA-N 1 2 403.487 -0.796 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)NC[C@H]3CC[C@@H](CO)O3)cc2)CC1 ZINC000645750386 1069893804 /nfs/dbraw/zinc/89/38/04/1069893804.db2.gz MDRSLESUXNCTRY-MOPGFXCFSA-N 1 2 418.494 -0.055 20 0 HBADLO C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)C[C@@H](C)O1 ZINC000646614965 1071475493 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WWYOWTKODAEBJY-SJORKVTESA-N 1 2 420.514 -0.422 20 0 HBADLO O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647698197 1069199589 /nfs/dbraw/zinc/19/95/89/1069199589.db2.gz OCDBEGFWONXBFK-CYBMUJFWSA-N 1 2 416.438 -0.202 20 0 HBADLO O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000647698198 1069199461 /nfs/dbraw/zinc/19/94/61/1069199461.db2.gz OCDBEGFWONXBFK-ZDUSSCGKSA-N 1 2 416.438 -0.202 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000651971233 1068397385 /nfs/dbraw/zinc/39/73/85/1068397385.db2.gz FHDRMIZLLITBRH-UHFFFAOYSA-N 1 2 401.452 -0.027 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000656497376 1068482136 /nfs/dbraw/zinc/48/21/36/1068482136.db2.gz LMPJWVXBYJLNFI-HNNXBMFYSA-N 1 2 400.501 -0.171 20 0 HBADLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000656497377 1068482256 /nfs/dbraw/zinc/48/22/56/1068482256.db2.gz LMPJWVXBYJLNFI-OAHLLOKOSA-N 1 2 400.501 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CC(C)C(NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(C)C ZINC000673286437 1069298802 /nfs/dbraw/zinc/29/88/02/1069298802.db2.gz POAVWVQFTKTSRD-UHFFFAOYSA-N 1 2 417.576 -0.580 20 0 HBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000673287040 1069298865 /nfs/dbraw/zinc/29/88/65/1069298865.db2.gz WHDIQNGJQVCRIN-KRWDZBQOSA-N 1 2 413.478 -0.761 20 0 HBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000673287040 1069298855 /nfs/dbraw/zinc/29/88/55/1069298855.db2.gz WHDIQNGJQVCRIN-KRWDZBQOSA-N 1 2 413.478 -0.761 20 0 HBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000673287041 1069298724 /nfs/dbraw/zinc/29/87/24/1069298724.db2.gz WHDIQNGJQVCRIN-QGZVFWFLSA-N 1 2 413.478 -0.761 20 0 HBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)C1 ZINC000673287041 1069298711 /nfs/dbraw/zinc/29/87/11/1069298711.db2.gz WHDIQNGJQVCRIN-QGZVFWFLSA-N 1 2 413.478 -0.761 20 0 HBADLO 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CCN(CC)C(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673299500 1069300266 /nfs/dbraw/zinc/30/02/66/1069300266.db2.gz FGZYGMZCMHPFNL-QGZVFWFLSA-N 1 2 416.526 -0.211 20 0 HBADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000673299689 1069300202 /nfs/dbraw/zinc/30/02/02/1069300202.db2.gz HMVBKMYFGSNUDH-INIZCTEOSA-N 1 2 402.499 -0.601 20 0 HBADLO CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000673299692 1069300611 /nfs/dbraw/zinc/30/06/11/1069300611.db2.gz HMVBKMYFGSNUDH-MRXNPFEDSA-N 1 2 402.499 -0.601 20 0 HBADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673300226 1069300233 /nfs/dbraw/zinc/30/02/33/1069300233.db2.gz MZZFLYAHVFEOHI-HNNXBMFYSA-N 1 2 411.466 -0.076 20 0 HBADLO COc1ccnc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673300227 1069299089 /nfs/dbraw/zinc/29/90/89/1069299089.db2.gz MZZFLYAHVFEOHI-OAHLLOKOSA-N 1 2 411.466 -0.076 20 0 HBADLO 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CC(C)NC(=O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000673301076 1069300591 /nfs/dbraw/zinc/30/05/91/1069300591.db2.gz SWRIPYJPUJVCOJ-MRXNPFEDSA-N 1 2 402.499 -0.555 20 0 HBADLO Nc1nsc(N2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673301426 1069301089 /nfs/dbraw/zinc/30/10/89/1069301089.db2.gz DGHOIHCTSAECFP-GFCCVEGCSA-N 1 2 402.484 -0.441 20 0 HBADLO Nc1nsc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)n1 ZINC000673301431 1069301354 /nfs/dbraw/zinc/30/13/54/1069301354.db2.gz DGHOIHCTSAECFP-LBPRGKRZSA-N 1 2 402.484 -0.441 20 0 HBADLO COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000673301456 1069301134 /nfs/dbraw/zinc/30/11/34/1069301134.db2.gz JVQWVOUGADOQBF-BRWVUGGUSA-N 1 2 406.483 -0.351 20 0 HBADLO Cn1ccnc(N2CCN(C(=O)C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)c1=O ZINC000673301472 1069300958 /nfs/dbraw/zinc/30/09/58/1069300958.db2.gz DTPNACAAGHPGMU-HNNXBMFYSA-N 1 2 411.466 -0.781 20 0 HBADLO 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O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673534864 1069343047 /nfs/dbraw/zinc/34/30/47/1069343047.db2.gz WOYNBYWAWKTUTJ-KBPBESRZSA-N 1 2 420.432 -0.021 20 0 HBADLO O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673534865 1069343187 /nfs/dbraw/zinc/34/31/87/1069343187.db2.gz WOYNBYWAWKTUTJ-KGLIPLIRSA-N 1 2 420.432 -0.021 20 0 HBADLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673534866 1069343131 /nfs/dbraw/zinc/34/31/31/1069343131.db2.gz WOYNBYWAWKTUTJ-UONOGXRCSA-N 1 2 420.432 -0.021 20 0 HBADLO O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673534867 1069342903 /nfs/dbraw/zinc/34/29/03/1069342903.db2.gz WOYNBYWAWKTUTJ-ZIAGYGMSSA-N 1 2 420.432 -0.021 20 0 HBADLO Cc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000673674402 1069394924 /nfs/dbraw/zinc/39/49/24/1069394924.db2.gz PKWWQVOALKTUBW-HNNXBMFYSA-N 1 2 410.496 -0.695 20 0 HBADLO Cc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(N)(=O)=O ZINC000673674403 1069394979 /nfs/dbraw/zinc/39/49/79/1069394979.db2.gz PKWWQVOALKTUBW-OAHLLOKOSA-N 1 2 410.496 -0.695 20 0 HBADLO Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000673734224 1069396744 /nfs/dbraw/zinc/39/67/44/1069396744.db2.gz NMIQJHOVYVHWKY-UHFFFAOYSA-N 1 2 424.449 -0.013 20 0 HBADLO Cc1cccn2cc(CCNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)[nH+]c12 ZINC000673746845 1069398170 /nfs/dbraw/zinc/39/81/70/1069398170.db2.gz HZBAUQRUHCSNNW-UHFFFAOYSA-N 1 2 404.452 -0.293 20 0 HBADLO Cc1cccn2cc(CCNC(=O)c3ccc(S(=O)(=O)NCC(N)=O)o3)[nH+]c12 ZINC000673747713 1069398361 /nfs/dbraw/zinc/39/83/61/1069398361.db2.gz WEKBRCOHHQYVAE-UHFFFAOYSA-N 1 2 405.436 -0.028 20 0 HBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673781755 1069399567 /nfs/dbraw/zinc/39/95/67/1069399567.db2.gz HCCJXOIWXMRKNR-INIZCTEOSA-N 1 2 416.482 -0.721 20 0 HBADLO O=C(Nc1ccc(N2CCNC(=O)C2)nc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673781756 1069399498 /nfs/dbraw/zinc/39/94/98/1069399498.db2.gz HCCJXOIWXMRKNR-MRXNPFEDSA-N 1 2 416.482 -0.721 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000673783560 1069399402 /nfs/dbraw/zinc/39/94/02/1069399402.db2.gz FUPZKFSTQMYEDS-HNNXBMFYSA-N 1 2 410.496 -0.096 20 0 HBADLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1S(N)(=O)=O ZINC000673783564 1069399552 /nfs/dbraw/zinc/39/95/52/1069399552.db2.gz FUPZKFSTQMYEDS-OAHLLOKOSA-N 1 2 410.496 -0.096 20 0 HBADLO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673783677 1069399423 /nfs/dbraw/zinc/39/94/23/1069399423.db2.gz GPFKXYWUTUKODN-KRWDZBQOSA-N 1 2 424.523 -0.003 20 0 HBADLO CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673783681 1069399585 /nfs/dbraw/zinc/39/95/85/1069399585.db2.gz GPFKXYWUTUKODN-QGZVFWFLSA-N 1 2 424.523 -0.003 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OCC(N)=O ZINC000673783733 1069399627 /nfs/dbraw/zinc/39/96/27/1069399627.db2.gz HHWAPNMJICLTSM-HNNXBMFYSA-N 1 2 420.466 -0.179 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1OCC(N)=O ZINC000673783735 1069399467 /nfs/dbraw/zinc/39/94/67/1069399467.db2.gz HHWAPNMJICLTSM-OAHLLOKOSA-N 1 2 420.466 -0.179 20 0 HBADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673784206 1069400186 /nfs/dbraw/zinc/40/01/86/1069400186.db2.gz HSAHJKANKCZXOS-AWEZNQCLSA-N 1 2 414.459 -0.265 20 0 HBADLO NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673784214 1069400085 /nfs/dbraw/zinc/40/00/85/1069400085.db2.gz HSAHJKANKCZXOS-CQSZACIVSA-N 1 2 414.459 -0.265 20 0 HBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673784300 1069400022 /nfs/dbraw/zinc/40/00/22/1069400022.db2.gz IQVFRTRKGAHHQF-INIZCTEOSA-N 1 2 417.466 -0.837 20 0 HBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673784301 1069400194 /nfs/dbraw/zinc/40/01/94/1069400194.db2.gz IQVFRTRKGAHHQF-MRXNPFEDSA-N 1 2 417.466 -0.837 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCCNC2=O)CC1 ZINC000673785010 1069400059 /nfs/dbraw/zinc/40/00/59/1069400059.db2.gz VDAFIAYXUCIQMD-INIZCTEOSA-N 1 2 401.467 -0.202 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCCNC2=O)CC1 ZINC000673785016 1069400159 /nfs/dbraw/zinc/40/01/59/1069400159.db2.gz VDAFIAYXUCIQMD-MRXNPFEDSA-N 1 2 401.467 -0.202 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1-n1cnnn1 ZINC000673785108 1069400168 /nfs/dbraw/zinc/40/01/68/1069400168.db2.gz NXEOKDJHPLERRI-HNNXBMFYSA-N 1 2 415.454 -0.067 20 0 HBADLO COc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1-n1cnnn1 ZINC000673785112 1069400130 /nfs/dbraw/zinc/40/01/30/1069400130.db2.gz NXEOKDJHPLERRI-OAHLLOKOSA-N 1 2 415.454 -0.067 20 0 HBADLO CN(C)C(=O)Cn1cnc(NC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)n1 ZINC000673859382 1069404565 /nfs/dbraw/zinc/40/45/65/1069404565.db2.gz ISWKXCQYAZGVOI-UHFFFAOYSA-N 1 2 413.446 -0.603 20 0 HBADLO CN(C)S(=O)(=O)N1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000673872135 1069405940 /nfs/dbraw/zinc/40/59/40/1069405940.db2.gz JVVCCIFXYHDLEA-UHFFFAOYSA-N 1 2 415.520 -0.829 20 0 HBADLO Cn1ccnc(N2CCN(C(=O)Nc3cnn(CC[NH+]4CCOCC4)c3)CC2)c1=O ZINC000673872388 1069406080 /nfs/dbraw/zinc/40/60/80/1069406080.db2.gz NTXWCQAALIDLOA-UHFFFAOYSA-N 1 2 416.486 -0.337 20 0 HBADLO CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872692 1069405893 /nfs/dbraw/zinc/40/58/93/1069405893.db2.gz VLJHXTZVXRJZBS-AWEZNQCLSA-N 1 2 400.505 -0.239 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872693 1069406092 /nfs/dbraw/zinc/40/60/92/1069406092.db2.gz VLJHXTZVXRJZBS-CQSZACIVSA-N 1 2 400.505 -0.239 20 0 HBADLO O=C(NC[C@H]1CCC[C@]12NC(=O)NC2=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872865 1069406562 /nfs/dbraw/zinc/40/65/62/1069406562.db2.gz OJSOLFADXFEXLB-ACJLOTCBSA-N 1 2 405.459 -0.285 20 0 HBADLO O=C(NC[C@H]1CCC[C@@]12NC(=O)NC2=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872866 1069406532 /nfs/dbraw/zinc/40/65/32/1069406532.db2.gz OJSOLFADXFEXLB-FZKQIMNGSA-N 1 2 405.459 -0.285 20 0 HBADLO O=C(NC[C@@H]1CCC[C@@]12NC(=O)NC2=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872867 1069406587 /nfs/dbraw/zinc/40/65/87/1069406587.db2.gz OJSOLFADXFEXLB-SCLBCKFNSA-N 1 2 405.459 -0.285 20 0 HBADLO O=C(NC[C@@H]1CCC[C@]12NC(=O)NC2=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673872868 1069406544 /nfs/dbraw/zinc/40/65/44/1069406544.db2.gz OJSOLFADXFEXLB-UGSOOPFHSA-N 1 2 405.459 -0.285 20 0 HBADLO O=C(NCCCN1CCCS1(=O)=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000673873118 1069406497 /nfs/dbraw/zinc/40/64/97/1069406497.db2.gz WGMAHIMNKRRUEY-UHFFFAOYSA-N 1 2 400.505 -0.238 20 0 HBADLO CNS(=O)(=O)C1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000673873213 1069406608 /nfs/dbraw/zinc/40/66/08/1069406608.db2.gz YVUKELYBEXXEQT-UHFFFAOYSA-N 1 2 400.505 -0.239 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@]2(O)CCSC2)CC1 ZINC000673890290 1069408457 /nfs/dbraw/zinc/40/84/57/1069408457.db2.gz AJAXGFZQRIZXOT-IBGZPJMESA-N 1 2 406.508 -0.003 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@]2(O)CCSC2)CC1 ZINC000673890294 1069408314 /nfs/dbraw/zinc/40/83/14/1069408314.db2.gz AJAXGFZQRIZXOT-LJQANCHMSA-N 1 2 406.508 -0.003 20 0 HBADLO CNS(=O)(=O)c1csc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000673991334 1069421432 /nfs/dbraw/zinc/42/14/32/1069421432.db2.gz YSZSAYQLDUBVBI-CYBMUJFWSA-N 1 2 402.542 -0.208 20 0 HBADLO CNS(=O)(=O)c1csc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000673991335 1069421537 /nfs/dbraw/zinc/42/15/37/1069421537.db2.gz YSZSAYQLDUBVBI-ZDUSSCGKSA-N 1 2 402.542 -0.208 20 0 HBADLO CN1CCC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1=O ZINC000674040973 1069429935 /nfs/dbraw/zinc/42/99/35/1069429935.db2.gz ZALRBCXKXNGSPX-INIZCTEOSA-N 1 2 401.467 -0.250 20 0 HBADLO CN1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1=O ZINC000674040975 1069430058 /nfs/dbraw/zinc/43/00/58/1069430058.db2.gz ZALRBCXKXNGSPX-MRXNPFEDSA-N 1 2 401.467 -0.250 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O)CC1 ZINC000674041370 1069429770 /nfs/dbraw/zinc/42/97/70/1069429770.db2.gz CEMMKMCDVYGWPC-UHFFFAOYSA-N 1 2 424.523 -0.048 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000674041760 1069429968 /nfs/dbraw/zinc/42/99/68/1069429968.db2.gz HRGCTDUXTCNHEF-UHFFFAOYSA-N 1 2 413.478 -0.154 20 0 HBADLO CS(=O)(=O)NCCc1ccc(C(=O)N2CC[NH+](CCn3cncn3)CC2)cc1 ZINC000674095835 1069432937 /nfs/dbraw/zinc/43/29/37/1069432937.db2.gz IFBYRJSMCSHKJX-UHFFFAOYSA-N 1 2 406.512 -0.172 20 0 HBADLO COCCN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000674195276 1069435667 /nfs/dbraw/zinc/43/56/67/1069435667.db2.gz QMQAVGAIYSAUSY-UHFFFAOYSA-N 1 2 417.510 -0.197 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)CC1 ZINC000674202385 1069435809 /nfs/dbraw/zinc/43/58/09/1069435809.db2.gz FYDURSNNBAUFRH-CYBMUJFWSA-N 1 2 403.439 -0.452 20 0 HBADLO C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000674202409 1069436268 /nfs/dbraw/zinc/43/62/68/1069436268.db2.gz MRVQWOQDBZQAOM-INIZCTEOSA-N 1 2 417.510 -0.462 20 0 HBADLO C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000674202412 1069436477 /nfs/dbraw/zinc/43/64/77/1069436477.db2.gz MRVQWOQDBZQAOM-MRXNPFEDSA-N 1 2 417.510 -0.462 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000674202437 1069436409 /nfs/dbraw/zinc/43/64/09/1069436409.db2.gz HNSJEJGCYSAWEA-OAHLLOKOSA-N 1 2 424.523 -0.065 20 0 HBADLO C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 ZINC000674202614 1069435780 /nfs/dbraw/zinc/43/57/80/1069435780.db2.gz VVALMPRLNWFIPE-CYBMUJFWSA-N 1 2 410.496 -0.409 20 0 HBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cnc2n(C)c1=O ZINC000674203415 1069436505 /nfs/dbraw/zinc/43/65/05/1069436505.db2.gz MNOCLADWMSRAKZ-CYBMUJFWSA-N 1 2 411.422 -0.369 20 0 HBADLO Cn1c(=O)c2cc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cnc2n(C)c1=O ZINC000674203416 1069436435 /nfs/dbraw/zinc/43/64/35/1069436435.db2.gz MNOCLADWMSRAKZ-ZDUSSCGKSA-N 1 2 411.422 -0.369 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000674217608 1069436462 /nfs/dbraw/zinc/43/64/62/1069436462.db2.gz HAVIUGTYYMLQHY-AWEZNQCLSA-N 1 2 413.478 -0.108 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000674217649 1069436396 /nfs/dbraw/zinc/43/63/96/1069436396.db2.gz HAVIUGTYYMLQHY-CQSZACIVSA-N 1 2 413.478 -0.108 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C/C=C\CN1CCC[C@H]1CS(=O)(=O)NC ZINC000674234023 1069437150 /nfs/dbraw/zinc/43/71/50/1069437150.db2.gz WDOLTKVMGLAHTI-SSGMOAHOSA-N 1 2 408.590 -0.430 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C/C=C\CN1CCC[C@H]1CS(=O)(=O)NC ZINC000674234023 1069437146 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C[C@@H](C[C@H]1CCOC1)NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000675316798 1069485880 /nfs/dbraw/zinc/48/58/80/1069485880.db2.gz BLTXRGCEVPMQOJ-JKSUJKDBSA-N 1 2 403.549 -0.379 20 0 HBADLO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000675518182 1069492198 /nfs/dbraw/zinc/49/21/98/1069492198.db2.gz QWCKSKVLOIFXHQ-UHFFFAOYSA-N 1 2 404.439 -0.525 20 0 HBADLO CNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000675529136 1069493653 /nfs/dbraw/zinc/49/36/53/1069493653.db2.gz DPDWOHXYLKRKQT-UHFFFAOYSA-N 1 2 402.499 -0.030 20 0 HBADLO CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000675583091 1069495383 /nfs/dbraw/zinc/49/53/83/1069495383.db2.gz BCYJPCLTIRMCAW-JTQLQIEISA-N 1 2 405.459 -0.566 20 0 HBADLO CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000675583095 1069495367 /nfs/dbraw/zinc/49/53/67/1069495367.db2.gz BCYJPCLTIRMCAW-SNVBAGLBSA-N 1 2 405.459 -0.566 20 0 HBADLO CCN1C(=O)N=NC1C1CC[NH+](CC(=O)c2c(N)n(CCOC)c(=O)[nH]c2=O)CC1 ZINC000675583796 1069495328 /nfs/dbraw/zinc/49/53/28/1069495328.db2.gz FHMSXTCKVMIKRI-UHFFFAOYSA-N 1 2 421.458 -0.443 20 0 HBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC[NH+]2Cc3ccccc3C2)cn1 ZINC000675591044 1069497684 /nfs/dbraw/zinc/49/76/84/1069497684.db2.gz SGFMXTUJLRIZSY-UHFFFAOYSA-N 1 2 414.466 -0.284 20 0 HBADLO Cc1nc2n(n1)CCN(C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C2 ZINC000675599916 1069499773 /nfs/dbraw/zinc/49/97/73/1069499773.db2.gz RWWFLYLOXAJPPJ-UHFFFAOYSA-N 1 2 411.466 -0.045 20 0 HBADLO CN(C)C(=O)CN1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000675728266 1069502867 /nfs/dbraw/zinc/50/28/67/1069502867.db2.gz RJTMHQUPHKJZPW-UHFFFAOYSA-N 1 2 416.526 -0.257 20 0 HBADLO CN(CCCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000675741019 1069503176 /nfs/dbraw/zinc/50/31/76/1069503176.db2.gz MKTORZLZOJQZDP-UHFFFAOYSA-N 1 2 411.528 -0.092 20 0 HBADLO CC(C)(CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NS(C)(=O)=O ZINC000675789812 1069503417 /nfs/dbraw/zinc/50/34/17/1069503417.db2.gz NUMGJRUSRMDZOH-UHFFFAOYSA-N 1 2 411.528 -0.046 20 0 HBADLO C[C@@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675932765 1069505613 /nfs/dbraw/zinc/50/56/13/1069505613.db2.gz KSQXOCCKKISGPK-CABCVRRESA-N 1 2 404.467 -0.379 20 0 HBADLO C[C@H]1CO[C@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675932766 1069505669 /nfs/dbraw/zinc/50/56/69/1069505669.db2.gz KSQXOCCKKISGPK-GJZGRUSLSA-N 1 2 404.467 -0.379 20 0 HBADLO C[C@@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675932767 1069505440 /nfs/dbraw/zinc/50/54/40/1069505440.db2.gz KSQXOCCKKISGPK-HUUCEWRRSA-N 1 2 404.467 -0.379 20 0 HBADLO C[C@H]1CO[C@@H](CO)CN1C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000675932768 1069505582 /nfs/dbraw/zinc/50/55/82/1069505582.db2.gz KSQXOCCKKISGPK-LSDHHAIUSA-N 1 2 404.467 -0.379 20 0 HBADLO CC(=O)c1cn(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c(=O)n(C)c1=O ZINC000676223044 1069514626 /nfs/dbraw/zinc/51/46/26/1069514626.db2.gz AGCKQARZUKHHKF-UHFFFAOYSA-N 1 2 406.483 -0.099 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCCN(C)S(C)(=O)=O ZINC000676263582 1069517031 /nfs/dbraw/zinc/51/70/31/1069517031.db2.gz HEFIOTWJUMIUEH-UHFFFAOYSA-N 1 2 413.500 -0.437 20 0 HBADLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000676269495 1069517408 /nfs/dbraw/zinc/51/74/08/1069517408.db2.gz DPKQAHMLPUDEQE-UHFFFAOYSA-N 1 2 413.500 -0.391 20 0 HBADLO COCCCS(=O)(=O)NCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000676333982 1069523130 /nfs/dbraw/zinc/52/31/30/1069523130.db2.gz PBIIOARLXUUQAL-UHFFFAOYSA-N 1 2 412.512 -0.031 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676339966 1069522016 /nfs/dbraw/zinc/52/20/16/1069522016.db2.gz MUBHNERQUGTQQM-DZGCQCFKSA-N 1 2 410.496 -0.615 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676339967 1069522093 /nfs/dbraw/zinc/52/20/93/1069522093.db2.gz MUBHNERQUGTQQM-HIFRSBDPSA-N 1 2 410.496 -0.615 20 0 HBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676339968 1069521886 /nfs/dbraw/zinc/52/18/86/1069521886.db2.gz MUBHNERQUGTQQM-UKRRQHHQSA-N 1 2 410.496 -0.615 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676339969 1069522080 /nfs/dbraw/zinc/52/20/80/1069522080.db2.gz MUBHNERQUGTQQM-ZFWWWQNUSA-N 1 2 410.496 -0.615 20 0 HBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340471 1069521989 /nfs/dbraw/zinc/52/19/89/1069521989.db2.gz GIXLNHNPKGCSTC-HNNXBMFYSA-N 1 2 412.512 -0.407 20 0 HBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340472 1069521858 /nfs/dbraw/zinc/52/18/58/1069521858.db2.gz GIXLNHNPKGCSTC-OAHLLOKOSA-N 1 2 412.512 -0.407 20 0 HBADLO COc1c(F)cc(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000676343182 1069522108 /nfs/dbraw/zinc/52/21/08/1069522108.db2.gz WVZBWXQRRYFEML-CYBMUJFWSA-N 1 2 401.460 -0.043 20 0 HBADLO COc1c(F)cc(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1S(N)(=O)=O ZINC000676343185 1069522116 /nfs/dbraw/zinc/52/21/16/1069522116.db2.gz WVZBWXQRRYFEML-ZDUSSCGKSA-N 1 2 401.460 -0.043 20 0 HBADLO NC(=O)CC[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C(=O)c2ccccc2C1=O ZINC000676388372 1069523539 /nfs/dbraw/zinc/52/35/39/1069523539.db2.gz LIBXQOBBSXISIY-PBHICJAKSA-N 1 2 414.462 -0.150 20 0 HBADLO NC(=O)CC[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)N1C(=O)c2ccccc2C1=O ZINC000676388373 1069523737 /nfs/dbraw/zinc/52/37/37/1069523737.db2.gz LIBXQOBBSXISIY-RHSMWYFYSA-N 1 2 414.462 -0.150 20 0 HBADLO NC(=O)CC[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1C(=O)c2ccccc2C1=O ZINC000676388374 1069523718 /nfs/dbraw/zinc/52/37/18/1069523718.db2.gz LIBXQOBBSXISIY-WMLDXEAASA-N 1 2 414.462 -0.150 20 0 HBADLO NC(=O)CC[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)N1C(=O)c2ccccc2C1=O ZINC000676388375 1069523633 /nfs/dbraw/zinc/52/36/33/1069523633.db2.gz LIBXQOBBSXISIY-YOEHRIQHSA-N 1 2 414.462 -0.150 20 0 HBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CC2=O)c1 ZINC000676389469 1069523659 /nfs/dbraw/zinc/52/36/59/1069523659.db2.gz KGAKFAKGDRCUFH-GDBMZVCRSA-N 1 2 422.507 -0.380 20 0 HBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[NH+]([C@@H]4CCOC4)CC3)CC2=O)c1 ZINC000676389470 1069523674 /nfs/dbraw/zinc/52/36/74/1069523674.db2.gz KGAKFAKGDRCUFH-GOEBONIOSA-N 1 2 422.507 -0.380 20 0 HBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CC2=O)c1 ZINC000676389471 1069524122 /nfs/dbraw/zinc/52/41/22/1069524122.db2.gz KGAKFAKGDRCUFH-HOCLYGCPSA-N 1 2 422.507 -0.380 20 0 HBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[NH+]([C@H]4CCOC4)CC3)CC2=O)c1 ZINC000676389472 1069524066 /nfs/dbraw/zinc/52/40/66/1069524066.db2.gz KGAKFAKGDRCUFH-ZBFHGGJFSA-N 1 2 422.507 -0.380 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676389713 1069523616 /nfs/dbraw/zinc/52/36/16/1069523616.db2.gz PYFCQJUOECRUNV-GFCCVEGCSA-N 1 2 410.452 -0.825 20 0 HBADLO NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676389714 1069523574 /nfs/dbraw/zinc/52/35/74/1069523574.db2.gz PYFCQJUOECRUNV-LBPRGKRZSA-N 1 2 410.452 -0.825 20 0 HBADLO CNC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(C)C ZINC000676456087 1069526908 /nfs/dbraw/zinc/52/69/08/1069526908.db2.gz ADIPCRBACNCOFK-INIZCTEOSA-N 1 2 403.483 -0.101 20 0 HBADLO Cn1cc(CNc2ccc(N3CCN(S(C)(=O)=O)CC3)[nH+]c2)c(=O)n(C)c1=O ZINC000676494745 1069527361 /nfs/dbraw/zinc/52/73/61/1069527361.db2.gz DODJXTLDVJLRQL-UHFFFAOYSA-N 1 2 408.484 -0.827 20 0 HBADLO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676547441 1069530032 /nfs/dbraw/zinc/53/00/32/1069530032.db2.gz LJVYKBDMLADXBE-GOSISDBHSA-N 1 2 420.514 -0.523 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000676547441 1069530021 /nfs/dbraw/zinc/53/00/21/1069530021.db2.gz LJVYKBDMLADXBE-GOSISDBHSA-N 1 2 420.514 -0.523 20 0 HBADLO O=C(Nc1cnn(CCN2CCOCC2)c1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676547442 1069530119 /nfs/dbraw/zinc/53/01/19/1069530119.db2.gz LJVYKBDMLADXBE-SFHVURJKSA-N 1 2 420.514 -0.523 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000676547442 1069530109 /nfs/dbraw/zinc/53/01/09/1069530109.db2.gz LJVYKBDMLADXBE-SFHVURJKSA-N 1 2 420.514 -0.523 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000676552111 1069529078 /nfs/dbraw/zinc/52/90/78/1069529078.db2.gz FAYZWAXAQGEEOC-CYBMUJFWSA-N 1 2 405.377 -0.057 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000676552124 1069529003 /nfs/dbraw/zinc/52/90/03/1069529003.db2.gz FAYZWAXAQGEEOC-ZDUSSCGKSA-N 1 2 405.377 -0.057 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000676552380 1069528864 /nfs/dbraw/zinc/52/88/64/1069528864.db2.gz IPTZCDUMDBNNEX-GFCCVEGCSA-N 1 2 405.377 -0.057 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000676552382 1069529112 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/nfs/dbraw/zinc/32/63/79/1068326379.db2.gz BZHYMQXVRFBSKI-UHFFFAOYSA-N 1 2 418.560 -0.067 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000683486274 1068326708 /nfs/dbraw/zinc/32/67/08/1068326708.db2.gz VKBNGTTXUDVJPT-HJOIGYKYSA-N 1 2 418.560 -0.021 20 0 HBADLO CCOC1CC(CNC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)([NH+]2CCOCC2)C1 ZINC000683486278 1068326443 /nfs/dbraw/zinc/32/64/43/1068326443.db2.gz VKBNGTTXUDVJPT-KLHKWILBSA-N 1 2 418.560 -0.021 20 0 HBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC3(CCN(C)C3=O)CC2)c(=O)n(C)c1=O ZINC000683674387 1068349715 /nfs/dbraw/zinc/34/97/15/1068349715.db2.gz VDPNXGDQEDEGNE-UHFFFAOYSA-N 1 2 405.499 -0.088 20 0 HBADLO COC1(CO)CC[NH+](CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CC1 ZINC000683676799 1068350389 /nfs/dbraw/zinc/35/03/89/1068350389.db2.gz DJWCIIMIIVKEDE-UHFFFAOYSA-N 1 2 416.478 -0.167 20 0 HBADLO CCOC1CC(CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)([NH+]2CCOCC2)C1 ZINC000683719975 1068360460 /nfs/dbraw/zinc/36/04/60/1068360460.db2.gz OSVVREVBENMOSL-LFDOHDQPSA-N 1 2 423.514 -0.066 20 0 HBADLO CCOC1CC(CNC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)([NH+]2CCOCC2)C1 ZINC000683719976 1068360653 /nfs/dbraw/zinc/36/06/53/1068360653.db2.gz OSVVREVBENMOSL-NGEICVOHSA-N 1 2 423.514 -0.066 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000684030274 1068420775 /nfs/dbraw/zinc/42/07/75/1068420775.db2.gz VCOSVKVXWTXBID-NRFANRHFSA-N 1 2 413.478 -0.249 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000684030275 1068420861 /nfs/dbraw/zinc/42/08/61/1068420861.db2.gz VCOSVKVXWTXBID-OAQYLSRUSA-N 1 2 413.478 -0.249 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CCCC(=O)N2)CC1 ZINC000684031629 1068421463 /nfs/dbraw/zinc/42/14/63/1068421463.db2.gz STBABOGAGORSSN-AWEZNQCLSA-N 1 2 401.467 -0.202 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CCCC(=O)N2)CC1 ZINC000684031630 1068421406 /nfs/dbraw/zinc/42/14/06/1068421406.db2.gz STBABOGAGORSSN-CQSZACIVSA-N 1 2 401.467 -0.202 20 0 HBADLO C[C@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000684032860 1068421478 /nfs/dbraw/zinc/42/14/78/1068421478.db2.gz NHGARTYOOBTMMR-JLTOFOAXSA-N 1 2 404.467 -0.331 20 0 HBADLO C[C@@H]1OCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000684032861 1068421534 /nfs/dbraw/zinc/42/15/34/1068421534.db2.gz NHGARTYOOBTMMR-VBKZILBWSA-N 1 2 404.467 -0.331 20 0 HBADLO C[C@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000684032862 1068421490 /nfs/dbraw/zinc/42/14/90/1068421490.db2.gz NHGARTYOOBTMMR-VLIAUNLRSA-N 1 2 404.467 -0.331 20 0 HBADLO C[C@@H]1OCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000684032863 1068421442 /nfs/dbraw/zinc/42/14/42/1068421442.db2.gz NHGARTYOOBTMMR-XOBRGWDASA-N 1 2 404.467 -0.331 20 0 HBADLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000684070328 1068433383 /nfs/dbraw/zinc/43/33/83/1068433383.db2.gz GKSNUCHGTWXNTA-HNNXBMFYSA-N 1 2 414.528 -0.161 20 0 HBADLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000684070329 1068433442 /nfs/dbraw/zinc/43/34/42/1068433442.db2.gz GKSNUCHGTWXNTA-OAHLLOKOSA-N 1 2 414.528 -0.161 20 0 HBADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000684073010 1068433216 /nfs/dbraw/zinc/43/32/16/1068433216.db2.gz WNPWEWCBLSDBHI-KRWDZBQOSA-N 1 2 401.467 -0.404 20 0 HBADLO CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000684073010 1068433201 /nfs/dbraw/zinc/43/32/01/1068433201.db2.gz WNPWEWCBLSDBHI-KRWDZBQOSA-N 1 2 401.467 -0.404 20 0 HBADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000684073012 1068433525 /nfs/dbraw/zinc/43/35/25/1068433525.db2.gz WNPWEWCBLSDBHI-QGZVFWFLSA-N 1 2 401.467 -0.404 20 0 HBADLO CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000684073012 1068433520 /nfs/dbraw/zinc/43/35/20/1068433520.db2.gz WNPWEWCBLSDBHI-QGZVFWFLSA-N 1 2 401.467 -0.404 20 0 HBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361936 1068506893 /nfs/dbraw/zinc/50/68/93/1068506893.db2.gz XSFZWHVUQDTHFA-BEFAXECRSA-N 1 2 408.499 -0.075 20 0 HBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361938 1068507129 /nfs/dbraw/zinc/50/71/29/1068507129.db2.gz XSFZWHVUQDTHFA-DNVCBOLYSA-N 1 2 408.499 -0.075 20 0 HBADLO C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361940 1068506754 /nfs/dbraw/zinc/50/67/54/1068506754.db2.gz XSFZWHVUQDTHFA-HNAYVOBHSA-N 1 2 408.499 -0.075 20 0 HBADLO C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361944 1068506830 /nfs/dbraw/zinc/50/68/30/1068506830.db2.gz XSFZWHVUQDTHFA-KXBFYZLASA-N 1 2 408.499 -0.075 20 0 HBADLO Nc1c(C(=O)C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c(=O)[nH]c(=O)n1C1CC1 ZINC000684557657 1068576094 /nfs/dbraw/zinc/57/60/94/1068576094.db2.gz ABTVLGKUAKGJCF-UHFFFAOYSA-N 1 2 405.455 -0.381 20 0 HBADLO COc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000684569381 1068582092 /nfs/dbraw/zinc/58/20/92/1068582092.db2.gz WFFRHLFBTHFSKZ-UHFFFAOYSA-N 1 2 418.541 -0.506 20 0 HBADLO COCCNC(=O)CN1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000684587587 1068593855 /nfs/dbraw/zinc/59/38/55/1068593855.db2.gz DUTAYCDBEFNINW-UHFFFAOYSA-N 1 2 400.501 -0.907 20 0 HBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1C ZINC000684589457 1068593902 /nfs/dbraw/zinc/59/39/02/1068593902.db2.gz ARJQYNPKWGZFOD-UHFFFAOYSA-N 1 2 405.542 -0.020 20 0 HBADLO CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1C ZINC000684589457 1068593893 /nfs/dbraw/zinc/59/38/93/1068593893.db2.gz ARJQYNPKWGZFOD-UHFFFAOYSA-N 1 2 405.542 -0.020 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC(=O)NCC(F)F)CC1 ZINC000684649589 1068614244 /nfs/dbraw/zinc/61/42/44/1068614244.db2.gz KNMSPXCFJXFMNS-UHFFFAOYSA-N 1 2 411.409 -0.490 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@](C)(C(N)=O)C2)CC1 ZINC000684649845 1068614227 /nfs/dbraw/zinc/61/42/27/1068614227.db2.gz FEZLTQVHJKDXMY-FQEVSTJZSA-N 1 2 401.467 -0.263 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000684649846 1068614118 /nfs/dbraw/zinc/61/41/18/1068614118.db2.gz FEZLTQVHJKDXMY-HXUWFJFHSA-N 1 2 401.467 -0.263 20 0 HBADLO CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000684669726 1068623671 /nfs/dbraw/zinc/62/36/71/1068623671.db2.gz GGJCHCHFVSJSJD-NRFANRHFSA-N 1 2 415.494 -0.003 20 0 HBADLO CNC(=O)[C@]1(C)CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)C1 ZINC000684669727 1068624364 /nfs/dbraw/zinc/62/43/64/1068624364.db2.gz GGJCHCHFVSJSJD-OAQYLSRUSA-N 1 2 415.494 -0.003 20 0 HBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000684830657 1068684578 /nfs/dbraw/zinc/68/45/78/1068684578.db2.gz VJDVEQWHWNSJLR-INIZCTEOSA-N 1 2 409.531 -0.451 20 0 HBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000684830657 1068684574 /nfs/dbraw/zinc/68/45/74/1068684574.db2.gz VJDVEQWHWNSJLR-INIZCTEOSA-N 1 2 409.531 -0.451 20 0 HBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000684830658 1068684388 /nfs/dbraw/zinc/68/43/88/1068684388.db2.gz VJDVEQWHWNSJLR-MRXNPFEDSA-N 1 2 409.531 -0.451 20 0 HBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000684830658 1068684385 /nfs/dbraw/zinc/68/43/85/1068684385.db2.gz VJDVEQWHWNSJLR-MRXNPFEDSA-N 1 2 409.531 -0.451 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000684879217 1068695093 /nfs/dbraw/zinc/69/50/93/1068695093.db2.gz ZNORIODDNPKQHP-UHFFFAOYSA-N 1 2 406.468 -0.443 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)CC1 ZINC000685031615 1068730129 /nfs/dbraw/zinc/73/01/29/1068730129.db2.gz GHKSFLJBWNRCES-NVXWUHKLSA-N 1 2 413.478 -0.250 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000685058609 1068745895 /nfs/dbraw/zinc/74/58/95/1068745895.db2.gz XAEFREZCJSJCOK-UHFFFAOYSA-N 1 2 424.523 -0.367 20 0 HBADLO COCC[NH+]1CCN(C(=O)C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000685058913 1068746361 /nfs/dbraw/zinc/74/63/61/1068746361.db2.gz XRVLCQGLFHWHDR-UHFFFAOYSA-N 1 2 424.523 -0.367 20 0 HBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000685140127 1068787999 /nfs/dbraw/zinc/78/79/99/1068787999.db2.gz MVNAESQDBAQYEX-KRWDZBQOSA-N 1 2 410.515 -0.547 20 0 HBADLO COCCC(=O)N1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000685140131 1068787729 /nfs/dbraw/zinc/78/77/29/1068787729.db2.gz MVNAESQDBAQYEX-QGZVFWFLSA-N 1 2 410.515 -0.547 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C(=O)N1c1cnn(C)c1 ZINC000685168080 1068802156 /nfs/dbraw/zinc/80/21/56/1068802156.db2.gz UQJFTXTUOFZSKV-BBRMVZONSA-N 1 2 413.482 -0.078 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C(=O)N1c1cnn(C)c1 ZINC000685168086 1068802566 /nfs/dbraw/zinc/80/25/66/1068802566.db2.gz UQJFTXTUOFZSKV-CJNGLKHVSA-N 1 2 413.482 -0.078 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C(=O)N1c1cnn(C)c1 ZINC000685168088 1068802871 /nfs/dbraw/zinc/80/28/71/1068802871.db2.gz UQJFTXTUOFZSKV-CZUORRHYSA-N 1 2 413.482 -0.078 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2cn3c([nH+]2)CCCC3)C(=O)N1c1cnn(C)c1 ZINC000685168089 1068803003 /nfs/dbraw/zinc/80/30/03/1068803003.db2.gz UQJFTXTUOFZSKV-XJKSGUPXSA-N 1 2 413.482 -0.078 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169183 1068805111 /nfs/dbraw/zinc/80/51/11/1068805111.db2.gz XIRHXLRFCZOPPQ-AIANPOQGSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169183 1068805092 /nfs/dbraw/zinc/80/50/92/1068805092.db2.gz XIRHXLRFCZOPPQ-AIANPOQGSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169189 1068805049 /nfs/dbraw/zinc/80/50/49/1068805049.db2.gz XIRHXLRFCZOPPQ-LJIGWXMPSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169189 1068805026 /nfs/dbraw/zinc/80/50/26/1068805026.db2.gz XIRHXLRFCZOPPQ-LJIGWXMPSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169190 1068804930 /nfs/dbraw/zinc/80/49/30/1068804930.db2.gz XIRHXLRFCZOPPQ-MPTYRVRUSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169190 1068804909 /nfs/dbraw/zinc/80/49/09/1068804909.db2.gz XIRHXLRFCZOPPQ-MPTYRVRUSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169192 1068805468 /nfs/dbraw/zinc/80/54/68/1068805468.db2.gz XIRHXLRFCZOPPQ-PNBKFKSVSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C(=O)N1c1cnn(C)c1 ZINC000685169192 1068805450 /nfs/dbraw/zinc/80/54/50/1068805450.db2.gz XIRHXLRFCZOPPQ-PNBKFKSVSA-N 1 2 420.514 -0.402 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169608 1068806113 /nfs/dbraw/zinc/80/61/13/1068806113.db2.gz ZGSJELHJVBNLEL-DJIMGWMZSA-N 1 2 418.498 -0.647 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169610 1068805825 /nfs/dbraw/zinc/80/58/25/1068805825.db2.gz ZGSJELHJVBNLEL-HYVNUMGLSA-N 1 2 418.498 -0.647 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169612 1068806750 /nfs/dbraw/zinc/80/67/50/1068806750.db2.gz ZGSJELHJVBNLEL-OIISXLGYSA-N 1 2 418.498 -0.647 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685169614 1068806574 /nfs/dbraw/zinc/80/65/74/1068806574.db2.gz ZGSJELHJVBNLEL-PVAVHDDUSA-N 1 2 418.498 -0.647 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685171846 1068809606 /nfs/dbraw/zinc/80/96/06/1068809606.db2.gz WYWXFAZHOGCMRX-GDBMZVCRSA-N 1 2 406.487 -0.789 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685171847 1068809761 /nfs/dbraw/zinc/80/97/61/1068809761.db2.gz WYWXFAZHOGCMRX-GOEBONIOSA-N 1 2 406.487 -0.789 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685171848 1068809500 /nfs/dbraw/zinc/80/95/00/1068809500.db2.gz WYWXFAZHOGCMRX-HOCLYGCPSA-N 1 2 406.487 -0.789 20 0 HBADLO CCOCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685171850 1068809671 /nfs/dbraw/zinc/80/96/71/1068809671.db2.gz WYWXFAZHOGCMRX-ZBFHGGJFSA-N 1 2 406.487 -0.789 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172323 1068810361 /nfs/dbraw/zinc/81/03/61/1068810361.db2.gz QOBNIIOEOQBNFR-DOTOQJQBSA-N 1 2 420.514 -0.401 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172325 1068810203 /nfs/dbraw/zinc/81/02/03/1068810203.db2.gz QOBNIIOEOQBNFR-NVXWUHKLSA-N 1 2 420.514 -0.401 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172327 1068810514 /nfs/dbraw/zinc/81/05/14/1068810514.db2.gz QOBNIIOEOQBNFR-RDJZCZTQSA-N 1 2 420.514 -0.401 20 0 HBADLO CC(C)OCC[NH+]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685172329 1068810403 /nfs/dbraw/zinc/81/04/03/1068810403.db2.gz QOBNIIOEOQBNFR-WBVHZDCISA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174091 1068811591 /nfs/dbraw/zinc/81/15/91/1068811591.db2.gz SMTQZNOEJLYVBS-GDBMZVCRSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174091 1068811580 /nfs/dbraw/zinc/81/15/80/1068811580.db2.gz SMTQZNOEJLYVBS-GDBMZVCRSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174092 1068811402 /nfs/dbraw/zinc/81/14/02/1068811402.db2.gz SMTQZNOEJLYVBS-GOEBONIOSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174092 1068811378 /nfs/dbraw/zinc/81/13/78/1068811378.db2.gz SMTQZNOEJLYVBS-GOEBONIOSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174093 1068811739 /nfs/dbraw/zinc/81/17/39/1068811739.db2.gz SMTQZNOEJLYVBS-HOCLYGCPSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174093 1068811716 /nfs/dbraw/zinc/81/17/16/1068811716.db2.gz SMTQZNOEJLYVBS-HOCLYGCPSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174095 1068811462 /nfs/dbraw/zinc/81/14/62/1068811462.db2.gz SMTQZNOEJLYVBS-ZBFHGGJFSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C(=O)N1c1cnn(C)c1 ZINC000685174095 1068811439 /nfs/dbraw/zinc/81/14/39/1068811439.db2.gz SMTQZNOEJLYVBS-ZBFHGGJFSA-N 1 2 420.514 -0.401 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174642 1068814590 /nfs/dbraw/zinc/81/45/90/1068814590.db2.gz WNQQAJGZXYYCJU-GDBMZVCRSA-N 1 2 411.466 -0.226 20 0 HBADLO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174643 1068814468 /nfs/dbraw/zinc/81/44/68/1068814468.db2.gz WNQQAJGZXYYCJU-GOEBONIOSA-N 1 2 411.466 -0.226 20 0 HBADLO C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174644 1068814408 /nfs/dbraw/zinc/81/44/08/1068814408.db2.gz WNQQAJGZXYYCJU-HOCLYGCPSA-N 1 2 411.466 -0.226 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cccc[nH+]3)CC2)C(=O)N1c1cnn(C)c1 ZINC000685174645 1068814635 /nfs/dbraw/zinc/81/46/35/1068814635.db2.gz WNQQAJGZXYYCJU-ZBFHGGJFSA-N 1 2 411.466 -0.226 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000685175270 1068815416 /nfs/dbraw/zinc/81/54/16/1068815416.db2.gz LWROYDKKBHEKCL-OIISXLGYSA-N 1 2 420.514 -0.497 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000685175272 1068815758 /nfs/dbraw/zinc/81/57/58/1068815758.db2.gz LWROYDKKBHEKCL-PVAVHDDUSA-N 1 2 420.514 -0.497 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000685175274 1068815572 /nfs/dbraw/zinc/81/55/72/1068815572.db2.gz LWROYDKKBHEKCL-UAGQMJEPSA-N 1 2 420.514 -0.497 20 0 HBADLO CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O)[NH+]1CCOCC1 ZINC000685175275 1068815710 /nfs/dbraw/zinc/81/57/10/1068815710.db2.gz LWROYDKKBHEKCL-XIRDDKMYSA-N 1 2 420.514 -0.497 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C(=O)N1c1cnn(C)c1 ZINC000685175527 1068813472 /nfs/dbraw/zinc/81/34/72/1068813472.db2.gz MOHOSKSFYSGEBB-FMKPAKJESA-N 1 2 411.466 -0.180 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C(=O)N1c1cnn(C)c1 ZINC000685175529 1068813329 /nfs/dbraw/zinc/81/33/29/1068813329.db2.gz MOHOSKSFYSGEBB-IIAWOOMASA-N 1 2 411.466 -0.180 20 0 HBADLO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C(=O)N1c1cnn(C)c1 ZINC000685175531 1068813862 /nfs/dbraw/zinc/81/38/62/1068813862.db2.gz MOHOSKSFYSGEBB-IJEWVQPXSA-N 1 2 411.466 -0.180 20 0 HBADLO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C(=O)N1c1cnn(C)c1 ZINC000685175534 1068813978 /nfs/dbraw/zinc/81/39/78/1068813978.db2.gz MOHOSKSFYSGEBB-YCPHGPKFSA-N 1 2 411.466 -0.180 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000685313561 1068866063 /nfs/dbraw/zinc/86/60/63/1068866063.db2.gz ZKGBYAGWSNCZAT-CABCVRRESA-N 1 2 406.487 -0.821 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000685313562 1068866236 /nfs/dbraw/zinc/86/62/36/1068866236.db2.gz ZKGBYAGWSNCZAT-GJZGRUSLSA-N 1 2 406.487 -0.821 20 0 HBADLO COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000685313563 1068865940 /nfs/dbraw/zinc/86/59/40/1068865940.db2.gz ZKGBYAGWSNCZAT-HUUCEWRRSA-N 1 2 406.487 -0.821 20 0 HBADLO COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000685313564 1068865921 /nfs/dbraw/zinc/86/59/21/1068865921.db2.gz ZKGBYAGWSNCZAT-LSDHHAIUSA-N 1 2 406.487 -0.821 20 0 HBADLO Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)CC1 ZINC000685328180 1068882787 /nfs/dbraw/zinc/88/27/87/1068882787.db2.gz LDERMRAWWLEFSZ-UHFFFAOYSA-N 1 2 408.524 -0.353 20 0 HBADLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328417 1068883002 /nfs/dbraw/zinc/88/30/02/1068883002.db2.gz GOUQWQRCBKBXRO-HNNXBMFYSA-N 1 2 408.524 -0.273 20 0 HBADLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328417 1068882991 /nfs/dbraw/zinc/88/29/91/1068882991.db2.gz GOUQWQRCBKBXRO-HNNXBMFYSA-N 1 2 408.524 -0.273 20 0 HBADLO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328418 1068882909 /nfs/dbraw/zinc/88/29/09/1068882909.db2.gz GOUQWQRCBKBXRO-OAHLLOKOSA-N 1 2 408.524 -0.273 20 0 HBADLO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685328418 1068882897 /nfs/dbraw/zinc/88/28/97/1068882897.db2.gz GOUQWQRCBKBXRO-OAHLLOKOSA-N 1 2 408.524 -0.273 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000685328437 1068883598 /nfs/dbraw/zinc/88/35/98/1068883598.db2.gz HESNZYRVMPPHKZ-UHFFFAOYSA-N 1 2 423.539 -0.067 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000685329193 1068884128 /nfs/dbraw/zinc/88/41/28/1068884128.db2.gz DBOIHQVVXBRFTJ-HNNXBMFYSA-N 1 2 423.539 -0.067 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000685329194 1068884088 /nfs/dbraw/zinc/88/40/88/1068884088.db2.gz DBOIHQVVXBRFTJ-OAHLLOKOSA-N 1 2 423.539 -0.067 20 0 HBADLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)CC2)c1 ZINC000685329246 1068884109 /nfs/dbraw/zinc/88/41/09/1068884109.db2.gz VNDWPZZCHJRZOC-UHFFFAOYSA-N 1 2 408.524 -0.353 20 0 HBADLO CS(=O)(=O)N1CC(CNC(=O)C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000685329340 1068884249 /nfs/dbraw/zinc/88/42/49/1068884249.db2.gz JSXMNOCLEJZUHB-UHFFFAOYSA-N 1 2 411.528 -0.091 20 0 HBADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000685352944 1068891226 /nfs/dbraw/zinc/89/12/26/1068891226.db2.gz PYJWTEPVFNALLF-CABCVRRESA-N 1 2 417.470 -0.678 20 0 HBADLO COC[C@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@@H]1CCCO1 ZINC000685352947 1068891100 /nfs/dbraw/zinc/89/11/00/1068891100.db2.gz PYJWTEPVFNALLF-GJZGRUSLSA-N 1 2 417.470 -0.678 20 0 HBADLO COC[C@@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000685352950 1068891192 /nfs/dbraw/zinc/89/11/92/1068891192.db2.gz PYJWTEPVFNALLF-HUUCEWRRSA-N 1 2 417.470 -0.678 20 0 HBADLO COC[C@H](NC(=O)C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)[C@H]1CCCO1 ZINC000685352952 1068891746 /nfs/dbraw/zinc/89/17/46/1068891746.db2.gz PYJWTEPVFNALLF-LSDHHAIUSA-N 1 2 417.470 -0.678 20 0 HBADLO C[C@H](O)C[C@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000685360316 1068892422 /nfs/dbraw/zinc/89/24/22/1068892422.db2.gz WPFDVGXWGGHCOY-QXAKKESOSA-N 1 2 407.511 -0.191 20 0 HBADLO C[C@H](O)C[C@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000685360317 1068892322 /nfs/dbraw/zinc/89/23/22/1068892322.db2.gz WPFDVGXWGGHCOY-UHOSZYNNSA-N 1 2 407.511 -0.191 20 0 HBADLO C[C@H](O)C[C@@H](CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000685360318 1068892498 /nfs/dbraw/zinc/89/24/98/1068892498.db2.gz WPFDVGXWGGHCOY-WDSOQIARSA-N 1 2 407.511 -0.191 20 0 HBADLO C[C@H](O)C[C@@H](CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)c1ccccc1 ZINC000685360319 1068892392 /nfs/dbraw/zinc/89/23/92/1068892392.db2.gz WPFDVGXWGGHCOY-YTQUADARSA-N 1 2 407.511 -0.191 20 0 HBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000685403562 1068895161 /nfs/dbraw/zinc/89/51/61/1068895161.db2.gz WZEKKOYBOAUNAF-QGZVFWFLSA-N 1 2 408.524 -0.129 20 0 HBADLO 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ZINC000685599837 1068908621 /nfs/dbraw/zinc/90/86/21/1068908621.db2.gz XQBFQCZYDUBUMC-HNNXBMFYSA-N 1 2 414.532 -0.566 20 0 HBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000685599837 1068908614 /nfs/dbraw/zinc/90/86/14/1068908614.db2.gz XQBFQCZYDUBUMC-HNNXBMFYSA-N 1 2 414.532 -0.566 20 0 HBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000685599838 1068908699 /nfs/dbraw/zinc/90/86/99/1068908699.db2.gz XQBFQCZYDUBUMC-OAHLLOKOSA-N 1 2 414.532 -0.566 20 0 HBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000685599838 1068908688 /nfs/dbraw/zinc/90/86/88/1068908688.db2.gz XQBFQCZYDUBUMC-OAHLLOKOSA-N 1 2 414.532 -0.566 20 0 HBADLO CN(C)S(=O)(=O)N1CCC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000685603388 1068907915 /nfs/dbraw/zinc/90/79/15/1068907915.db2.gz KJFYOPTWHARSNH-UHFFFAOYSA-N 1 2 417.576 -0.291 20 0 HBADLO CN(C)S(=O)(=O)N1CCC[N@H+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000685603388 1068907909 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COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H](OCCO)C3)C2=O)cc1 ZINC000734485098 1069907283 /nfs/dbraw/zinc/90/72/83/1069907283.db2.gz AFQWKEQUJQHITC-OXJNMPFZSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H](OCCO)C3)C2=O)cc1 ZINC000734485099 1069907520 /nfs/dbraw/zinc/90/75/20/1069907520.db2.gz AFQWKEQUJQHITC-OXQOHEQNSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H](OCCO)C3)C2=O)cc1 ZINC000734485099 1069907512 /nfs/dbraw/zinc/90/75/12/1069907512.db2.gz AFQWKEQUJQHITC-OXQOHEQNSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H](OCCO)C3)C2=O)cc1 ZINC000734485100 1069907559 /nfs/dbraw/zinc/90/75/59/1069907559.db2.gz AFQWKEQUJQHITC-UZLBHIALSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H](OCCO)C3)C2=O)cc1 ZINC000734485100 1069907553 /nfs/dbraw/zinc/90/75/53/1069907553.db2.gz AFQWKEQUJQHITC-UZLBHIALSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H](OCCO)C3)C2=O)c1 ZINC000734485557 1069907660 /nfs/dbraw/zinc/90/76/60/1069907660.db2.gz MRRFINDUOVDHAN-JXFKEZNVSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H](OCCO)C3)C2=O)c1 ZINC000734485557 1069907645 /nfs/dbraw/zinc/90/76/45/1069907645.db2.gz MRRFINDUOVDHAN-JXFKEZNVSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@H](OCCO)C3)C2=O)c1 ZINC000734485558 1069907339 /nfs/dbraw/zinc/90/73/39/1069907339.db2.gz MRRFINDUOVDHAN-OXJNMPFZSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@H](OCCO)C3)C2=O)c1 ZINC000734485558 1069907328 /nfs/dbraw/zinc/90/73/28/1069907328.db2.gz MRRFINDUOVDHAN-OXJNMPFZSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H](OCCO)C3)C2=O)c1 ZINC000734485559 1069907494 /nfs/dbraw/zinc/90/74/94/1069907494.db2.gz MRRFINDUOVDHAN-OXQOHEQNSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H](OCCO)C3)C2=O)c1 ZINC000734485559 1069907487 /nfs/dbraw/zinc/90/74/87/1069907487.db2.gz MRRFINDUOVDHAN-OXQOHEQNSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3CCC[C@@H](OCCO)C3)C2=O)c1 ZINC000734485560 1069907387 /nfs/dbraw/zinc/90/73/87/1069907387.db2.gz MRRFINDUOVDHAN-UZLBHIALSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3CCC[C@@H](OCCO)C3)C2=O)c1 ZINC000734485560 1069907379 /nfs/dbraw/zinc/90/73/79/1069907379.db2.gz MRRFINDUOVDHAN-UZLBHIALSA-N 1 2 420.466 -0.033 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000734839062 1069911612 /nfs/dbraw/zinc/91/16/12/1069911612.db2.gz VKGWUZPXMITDBP-CABCVRRESA-N 1 2 409.468 -0.706 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000734839066 1069911702 /nfs/dbraw/zinc/91/17/02/1069911702.db2.gz VKGWUZPXMITDBP-GJZGRUSLSA-N 1 2 409.468 -0.706 20 0 HBADLO O=C(C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000734839068 1069911580 /nfs/dbraw/zinc/91/15/80/1069911580.db2.gz VKGWUZPXMITDBP-HUUCEWRRSA-N 1 2 409.468 -0.706 20 0 HBADLO O=C(C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000734839070 1069911808 /nfs/dbraw/zinc/91/18/08/1069911808.db2.gz VKGWUZPXMITDBP-LSDHHAIUSA-N 1 2 409.468 -0.706 20 0 HBADLO Cn1cc(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000735039033 1069918262 /nfs/dbraw/zinc/91/82/62/1069918262.db2.gz KFNUIURIZHKBIH-UHFFFAOYSA-N 1 2 402.451 -0.275 20 0 HBADLO Cn1cc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)c(=O)n(C)c1=O ZINC000735039533 1069917977 /nfs/dbraw/zinc/91/79/77/1069917977.db2.gz ZLFXTABIOGZCBK-UHFFFAOYSA-N 1 2 402.451 -0.275 20 0 HBADLO CC(C)[C@@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000735071529 1069921605 /nfs/dbraw/zinc/92/16/05/1069921605.db2.gz ZFXQIYBLTUQQDJ-GOSISDBHSA-N 1 2 415.560 -0.525 20 0 HBADLO CC(C)[C@]1(C)CC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000735071531 1069921440 /nfs/dbraw/zinc/92/14/40/1069921440.db2.gz ZFXQIYBLTUQQDJ-SFHVURJKSA-N 1 2 415.560 -0.525 20 0 HBADLO C[S@@](=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735097279 1069922445 /nfs/dbraw/zinc/92/24/45/1069922445.db2.gz GPHYTRCDLNBGCG-RUZDIDTESA-N 1 2 403.530 -0.789 20 0 HBADLO C[S@](=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735097280 1069922349 /nfs/dbraw/zinc/92/23/49/1069922349.db2.gz GPHYTRCDLNBGCG-VWLOTQADSA-N 1 2 403.530 -0.789 20 0 HBADLO CC[S@@](=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735097981 1069922064 /nfs/dbraw/zinc/92/20/64/1069922064.db2.gz MBMIZUIWFGSZIM-AREMUKBSSA-N 1 2 417.557 -0.399 20 0 HBADLO CC[S@](=O)CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000735097982 1069922167 /nfs/dbraw/zinc/92/21/67/1069922167.db2.gz MBMIZUIWFGSZIM-SANMLTNESA-N 1 2 417.557 -0.399 20 0 HBADLO Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(=O)n(C)c1=O ZINC000735150948 1069925428 /nfs/dbraw/zinc/92/54/28/1069925428.db2.gz ZQDXWNKMCOCDRL-UHFFFAOYSA-N 1 2 406.464 -0.353 20 0 HBADLO Cn1cc(C(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)c(=O)n(C)c1=O ZINC000735152241 1069927478 /nfs/dbraw/zinc/92/74/78/1069927478.db2.gz ZTBJXQBZUUKDLQ-UHFFFAOYSA-N 1 2 406.464 -0.353 20 0 HBADLO Cn1cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(=O)n(C)c1=O ZINC000735153555 1069927991 /nfs/dbraw/zinc/92/79/91/1069927991.db2.gz RXCKDDBKTAXWLG-UHFFFAOYSA-N 1 2 416.434 -0.288 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)COC2CCOCC2)CC1 ZINC000735359698 1069931935 /nfs/dbraw/zinc/93/19/35/1069931935.db2.gz WTVHSGZRLMGYTA-UHFFFAOYSA-N 1 2 418.454 -0.249 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000735493876 1069938061 /nfs/dbraw/zinc/93/80/61/1069938061.db2.gz RYEHPHFJCWYALL-IUIKQTSFSA-N 1 2 423.495 -0.317 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000735493878 1069937929 /nfs/dbraw/zinc/93/79/29/1069937929.db2.gz RYEHPHFJCWYALL-KNXALSJPSA-N 1 2 423.495 -0.317 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000735493883 1069938206 /nfs/dbraw/zinc/93/82/06/1069938206.db2.gz RYEHPHFJCWYALL-UVBJJODRSA-N 1 2 423.495 -0.317 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000735493886 1069938109 /nfs/dbraw/zinc/93/81/09/1069938109.db2.gz RYEHPHFJCWYALL-XZJROXQQSA-N 1 2 423.495 -0.317 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1sccc1C(N)=O ZINC000735494135 1069938295 /nfs/dbraw/zinc/93/82/95/1069938295.db2.gz USRIHDHTIYUATC-CYZMBNFOSA-N 1 2 416.525 -0.739 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1sccc1C(N)=O ZINC000735494137 1069937967 /nfs/dbraw/zinc/93/79/67/1069937967.db2.gz USRIHDHTIYUATC-DRZSPHRISA-N 1 2 416.525 -0.739 20 0 HBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1sccc1C(N)=O ZINC000735494139 1069938025 /nfs/dbraw/zinc/93/80/25/1069938025.db2.gz USRIHDHTIYUATC-UHTWSYAYSA-N 1 2 416.525 -0.739 20 0 HBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1sccc1C(N)=O ZINC000735494141 1069938138 /nfs/dbraw/zinc/93/81/38/1069938138.db2.gz USRIHDHTIYUATC-WCFLWFBJSA-N 1 2 416.525 -0.739 20 0 HBADLO O=C(CNC(=O)OCc1ccccc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735822524 1069949269 /nfs/dbraw/zinc/94/92/69/1069949269.db2.gz BIYYPWSKMZNGCP-KRWDZBQOSA-N 1 2 404.467 -0.038 20 0 HBADLO O=C(CNC(=O)OCc1ccccc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735822527 1069949360 /nfs/dbraw/zinc/94/93/60/1069949360.db2.gz BIYYPWSKMZNGCP-QGZVFWFLSA-N 1 2 404.467 -0.038 20 0 HBADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735822922 1069949955 /nfs/dbraw/zinc/94/99/55/1069949955.db2.gz KWPPYDIHUPKLPX-CYBMUJFWSA-N 1 2 416.400 -0.084 20 0 HBADLO O=C(Cn1cccc(C(F)(F)F)c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735822923 1069950146 /nfs/dbraw/zinc/95/01/46/1069950146.db2.gz KWPPYDIHUPKLPX-ZDUSSCGKSA-N 1 2 416.400 -0.084 20 0 HBADLO CS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000735823346 1069949182 /nfs/dbraw/zinc/94/91/82/1069949182.db2.gz RQHYFDPURGDOCA-INIZCTEOSA-N 1 2 410.496 -0.279 20 0 HBADLO CS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000735823347 1069950131 /nfs/dbraw/zinc/95/01/31/1069950131.db2.gz RQHYFDPURGDOCA-MRXNPFEDSA-N 1 2 410.496 -0.279 20 0 HBADLO O=C(CCNC(=O)OCC(F)(F)F)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735823840 1069950156 /nfs/dbraw/zinc/95/01/56/1069950156.db2.gz USVRMYNSOAFHEW-GFCCVEGCSA-N 1 2 410.393 -0.286 20 0 HBADLO O=C(CCNC(=O)OCC(F)(F)F)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000735823841 1069949978 /nfs/dbraw/zinc/94/99/78/1069949978.db2.gz USVRMYNSOAFHEW-LBPRGKRZSA-N 1 2 410.393 -0.286 20 0 HBADLO CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000736150852 1069959882 /nfs/dbraw/zinc/95/98/82/1069959882.db2.gz BKYVPMAMOYEFSM-BAHPRDJBSA-N 1 2 401.467 -0.496 20 0 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409.556 -0.197 20 0 HBADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000745086925 1070071972 /nfs/dbraw/zinc/07/19/72/1070071972.db2.gz POXIFWBINFVRIO-CVEARBPZSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000745086925 1070071949 /nfs/dbraw/zinc/07/19/49/1070071949.db2.gz POXIFWBINFVRIO-CVEARBPZSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000745086926 1070071760 /nfs/dbraw/zinc/07/17/60/1070071760.db2.gz POXIFWBINFVRIO-HOTGVXAUSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000745086926 1070071743 /nfs/dbraw/zinc/07/17/43/1070071743.db2.gz POXIFWBINFVRIO-HOTGVXAUSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000745086927 1070071552 /nfs/dbraw/zinc/07/15/52/1070071552.db2.gz POXIFWBINFVRIO-HZPDHXFCSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000745086927 1070071537 /nfs/dbraw/zinc/07/15/37/1070071537.db2.gz POXIFWBINFVRIO-HZPDHXFCSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000745086928 1070071841 /nfs/dbraw/zinc/07/18/41/1070071841.db2.gz POXIFWBINFVRIO-JKSUJKDBSA-N 1 2 401.529 -0.265 20 0 HBADLO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000745086928 1070071820 /nfs/dbraw/zinc/07/18/20/1070071820.db2.gz POXIFWBINFVRIO-JKSUJKDBSA-N 1 2 401.529 -0.265 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(CO)o2)CC1 ZINC000745381579 1070079288 /nfs/dbraw/zinc/07/92/88/1070079288.db2.gz SFQOFMCQILDFBV-UHFFFAOYSA-N 1 2 400.395 -0.046 20 0 HBADLO NC(=O)Cn1cc(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)nn1 ZINC000745468808 1070082909 /nfs/dbraw/zinc/08/29/09/1070082909.db2.gz PPEANRXILOSXAH-UHFFFAOYSA-N 1 2 416.438 -0.931 20 0 HBADLO NC(=O)Cn1cc(C(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000745471165 1070083582 /nfs/dbraw/zinc/08/35/82/1070083582.db2.gz VZBWFLHAGAJBOP-UHFFFAOYSA-N 1 2 402.411 -0.609 20 0 HBADLO Cc1nonc1CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000745518337 1070086106 /nfs/dbraw/zinc/08/61/06/1070086106.db2.gz JVUDJEKIJKOARW-UHFFFAOYSA-N 1 2 409.472 -0.276 20 0 HBADLO Cn1cc([C@@H](O)CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000745789057 1070090617 /nfs/dbraw/zinc/09/06/17/1070090617.db2.gz AILPKHQYJMNJRQ-INIZCTEOSA-N 1 2 401.471 -0.113 20 0 HBADLO Cn1cc([C@H](O)CNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000745789058 1070090709 /nfs/dbraw/zinc/09/07/09/1070090709.db2.gz AILPKHQYJMNJRQ-MRXNPFEDSA-N 1 2 401.471 -0.113 20 0 HBADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCO1 ZINC000745791710 1070091411 /nfs/dbraw/zinc/09/14/11/1070091411.db2.gz MMJXONFZUSFWFM-AWEZNQCLSA-N 1 2 401.489 -0.448 20 0 HBADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCO1 ZINC000745791710 1070091396 /nfs/dbraw/zinc/09/13/96/1070091396.db2.gz 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ZINC000746362957 1070106153 /nfs/dbraw/zinc/10/61/53/1070106153.db2.gz DIYFRXGPJRDPBM-UHFFFAOYSA-N 1 2 408.459 -0.546 20 0 HBADLO CCOC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000746362997 1070106074 /nfs/dbraw/zinc/10/60/74/1070106074.db2.gz GOAVEOWKJQJFRA-UHFFFAOYSA-N 1 2 408.459 -0.546 20 0 HBADLO CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000746364276 1070106827 /nfs/dbraw/zinc/10/68/27/1070106827.db2.gz GIUKLJDNEXQITB-HNNXBMFYSA-N 1 2 422.486 -0.109 20 0 HBADLO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000746364277 1070106903 /nfs/dbraw/zinc/10/69/03/1070106903.db2.gz GIUKLJDNEXQITB-OAHLLOKOSA-N 1 2 422.486 -0.109 20 0 HBADLO CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000746365364 1070106941 /nfs/dbraw/zinc/10/69/41/1070106941.db2.gz OPJUGFYELCMHQH-HNNXBMFYSA-N 1 2 422.486 -0.109 20 0 HBADLO CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000746365365 1070106786 /nfs/dbraw/zinc/10/67/86/1070106786.db2.gz OPJUGFYELCMHQH-OAHLLOKOSA-N 1 2 422.486 -0.109 20 0 HBADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nnn(C2CCOCC2)c1=S ZINC000746379177 1070108467 /nfs/dbraw/zinc/10/84/67/1070108467.db2.gz BJHRLODQZGNLRD-UHFFFAOYSA-N 1 2 400.505 -0.075 20 0 HBADLO CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000746379725 1070108708 /nfs/dbraw/zinc/10/87/08/1070108708.db2.gz SAMJRCNMENHUNT-UHFFFAOYSA-N 1 2 410.475 -0.205 20 0 HBADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(N2CCOCC2)n(C)c1=S ZINC000746379884 1070108536 /nfs/dbraw/zinc/10/85/36/1070108536.db2.gz LMGAHZLSISQWKK-UHFFFAOYSA-N 1 2 414.532 -0.448 20 0 HBADLO CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000746380140 1070108412 /nfs/dbraw/zinc/10/84/12/1070108412.db2.gz YVWDXPXUTTZWDM-UHFFFAOYSA-N 1 2 410.475 -0.205 20 0 HBADLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1nc(C)n(CC(=O)N(C)C)c1=S ZINC000746380181 1070108483 /nfs/dbraw/zinc/10/84/83/1070108483.db2.gz LXMVMJBHPSXKTM-UHFFFAOYSA-N 1 2 414.532 -0.425 20 0 HBADLO CCOC(=O)N1CCCN(C(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000746384104 1070109513 /nfs/dbraw/zinc/10/95/13/1070109513.db2.gz FHYKPQQOUHAZGG-UHFFFAOYSA-N 1 2 422.486 -0.155 20 0 HBADLO CCOC(=O)N1CCCN(C(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000746384114 1070109387 /nfs/dbraw/zinc/10/93/87/1070109387.db2.gz FPEUIUZHISQGBO-UHFFFAOYSA-N 1 2 422.486 -0.155 20 0 HBADLO CCCCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000746386157 1070109655 /nfs/dbraw/zinc/10/96/55/1070109655.db2.gz NUGMHTIMOQVFLR-SFHVURJKSA-N 1 2 423.558 -0.772 20 0 HBADLO O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746386218 1070109725 /nfs/dbraw/zinc/10/97/25/1070109725.db2.gz PIOHEZRTUCJILK-AWEZNQCLSA-N 1 2 407.471 -0.547 20 0 HBADLO O=C(NN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746386219 1070109580 /nfs/dbraw/zinc/10/95/80/1070109580.db2.gz PIOHEZRTUCJILK-CQSZACIVSA-N 1 2 407.471 -0.547 20 0 HBADLO COC(=O)N1CCC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000746391402 1070110197 /nfs/dbraw/zinc/11/01/97/1070110197.db2.gz SJXYLRFUWBVOMZ-AWEZNQCLSA-N 1 2 408.459 -0.499 20 0 HBADLO COC(=O)N1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000746391482 1070263328 /nfs/dbraw/zinc/26/33/28/1070263328.db2.gz SJXYLRFUWBVOMZ-CQSZACIVSA-N 1 2 408.459 -0.499 20 0 HBADLO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746393985 1070110493 /nfs/dbraw/zinc/11/04/93/1070110493.db2.gz SCNQQIDZXUOOIS-INIZCTEOSA-N 1 2 415.494 -0.258 20 0 HBADLO O=C(Nc1ccc(N2CCNC(=O)C2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746393986 1070110536 /nfs/dbraw/zinc/11/05/36/1070110536.db2.gz SCNQQIDZXUOOIS-MRXNPFEDSA-N 1 2 415.494 -0.258 20 0 HBADLO O=C(NC[C@@H](O)COc1cccc(F)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746394133 1070110551 /nfs/dbraw/zinc/11/05/51/1070110551.db2.gz KYIMBJWQRKKWIM-DOTOQJQBSA-N 1 2 409.458 -0.138 20 0 HBADLO O=C(NC[C@@H](O)COc1cccc(F)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746394134 1070110513 /nfs/dbraw/zinc/11/05/13/1070110513.db2.gz KYIMBJWQRKKWIM-NVXWUHKLSA-N 1 2 409.458 -0.138 20 0 HBADLO O=C(NC[C@H](O)COc1cccc(F)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746394137 1070110439 /nfs/dbraw/zinc/11/04/39/1070110439.db2.gz KYIMBJWQRKKWIM-RDJZCZTQSA-N 1 2 409.458 -0.138 20 0 HBADLO O=C(NC[C@H](O)COc1cccc(F)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746394140 1070110421 /nfs/dbraw/zinc/11/04/21/1070110421.db2.gz KYIMBJWQRKKWIM-WBVHZDCISA-N 1 2 409.458 -0.138 20 0 HBADLO Cn1c2ncn(CC[NH+]3CCN(C4=NCC(C)(C)S4)CC3)c2c(=O)n(C)c1=O ZINC000746464271 1070117984 /nfs/dbraw/zinc/11/79/84/1070117984.db2.gz SIRLCBUJTCGWOA-UHFFFAOYSA-N 1 2 405.528 -0.067 20 0 HBADLO C[S@@](=O)CC[NH+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000746464850 1070119697 /nfs/dbraw/zinc/11/96/97/1070119697.db2.gz DNVVIVHGHIYWQD-AREMUKBSSA-N 1 2 412.541 -0.438 20 0 HBADLO C[S@](=O)CC[NH+]1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000746464852 1070119630 /nfs/dbraw/zinc/11/96/30/1070119630.db2.gz DNVVIVHGHIYWQD-SANMLTNESA-N 1 2 412.541 -0.438 20 0 HBADLO CC(C)(C(N)=O)[NH+]1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000746489297 1070193755 /nfs/dbraw/zinc/19/37/55/1070193755.db2.gz FNSLODMRFZCXIA-UHFFFAOYSA-N 1 2 408.503 -0.456 20 0 HBADLO CC(C)c1nnnn1CC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000746524733 1070287391 /nfs/dbraw/zinc/28/73/91/1070287391.db2.gz VQSJBEVBGUEPTC-UHFFFAOYSA-N 1 2 401.475 -0.228 20 0 HBADLO CC(C)c1nnnn1CC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000746524733 1070287379 /nfs/dbraw/zinc/28/73/79/1070287379.db2.gz VQSJBEVBGUEPTC-UHFFFAOYSA-N 1 2 401.475 -0.228 20 0 HBADLO CCOCCOCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000746735141 1070406267 /nfs/dbraw/zinc/40/62/67/1070406267.db2.gz IGOPJSBVPIBITA-UHFFFAOYSA-N 1 2 406.443 -0.392 20 0 HBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000746812945 1070438059 /nfs/dbraw/zinc/43/80/59/1070438059.db2.gz VXNKPYLWZTWOOX-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)CC1 ZINC000746812953 1070438122 /nfs/dbraw/zinc/43/81/22/1070438122.db2.gz VXNKPYLWZTWOOX-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)C1=O ZINC000746904986 1070471145 /nfs/dbraw/zinc/47/11/45/1070471145.db2.gz BUQZOYOWKOZWSQ-BTYIYWSLSA-N 1 2 415.494 -0.113 20 0 HBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1=O ZINC000746904989 1070471024 /nfs/dbraw/zinc/47/10/24/1070471024.db2.gz BUQZOYOWKOZWSQ-QVKFZJNVSA-N 1 2 415.494 -0.113 20 0 HBADLO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1=O ZINC000746904992 1070471159 /nfs/dbraw/zinc/47/11/59/1070471159.db2.gz BUQZOYOWKOZWSQ-VFNWGFHPSA-N 1 2 415.494 -0.113 20 0 HBADLO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)C1=O ZINC000746904994 1070471067 /nfs/dbraw/zinc/47/10/67/1070471067.db2.gz BUQZOYOWKOZWSQ-YCRPNKLZSA-N 1 2 415.494 -0.113 20 0 HBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1=O ZINC000746905930 1070471104 /nfs/dbraw/zinc/47/11/04/1070471104.db2.gz KPFAFPPKCSNILA-JLTOFOAXSA-N 1 2 401.467 -0.422 20 0 HBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)C1=O ZINC000746905931 1070470990 /nfs/dbraw/zinc/47/09/90/1070470990.db2.gz KPFAFPPKCSNILA-VBKZILBWSA-N 1 2 401.467 -0.422 20 0 HBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@@H]2C[NH+]3CCN2CC3)C1=O ZINC000746905932 1070471691 /nfs/dbraw/zinc/47/16/91/1070471691.db2.gz KPFAFPPKCSNILA-VLIAUNLRSA-N 1 2 401.467 -0.422 20 0 HBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NC[C@H]2C[NH+]3CCN2CC3)C1=O ZINC000746905933 1070471521 /nfs/dbraw/zinc/47/15/21/1070471521.db2.gz KPFAFPPKCSNILA-XOBRGWDASA-N 1 2 401.467 -0.422 20 0 HBADLO O=C(NC[C@H]1C[NH+]2CCN1CC2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000746905942 1070471864 /nfs/dbraw/zinc/47/18/64/1070471864.db2.gz LBAZCKLQDWMIBO-INIZCTEOSA-N 1 2 417.535 -0.037 20 0 HBADLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000746905943 1070471136 /nfs/dbraw/zinc/47/11/36/1070471136.db2.gz LBAZCKLQDWMIBO-MRXNPFEDSA-N 1 2 417.535 -0.037 20 0 HBADLO CN(CCCC(=O)NC[C@H]1C[NH+]2CCN1CC2)C1=NS(=O)(=O)c2ccccc21 ZINC000746907387 1070471734 /nfs/dbraw/zinc/47/17/34/1070471734.db2.gz YCNHDRFRRJKGDJ-HNNXBMFYSA-N 1 2 405.524 -0.037 20 0 HBADLO CN(CCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2)C1=NS(=O)(=O)c2ccccc21 ZINC000746907389 1070471632 /nfs/dbraw/zinc/47/16/32/1070471632.db2.gz YCNHDRFRRJKGDJ-OAHLLOKOSA-N 1 2 405.524 -0.037 20 0 HBADLO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@H]1C[NH+]3CCN1CC3)c2=O ZINC000746912773 1070473859 /nfs/dbraw/zinc/47/38/59/1070473859.db2.gz BVHNEOJGTUPCBG-JTQLQIEISA-N 1 2 410.276 -0.992 20 0 HBADLO Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@H]1C[NH+]3CCN1CC3)c2=O ZINC000746912774 1070473821 /nfs/dbraw/zinc/47/38/21/1070473821.db2.gz BVHNEOJGTUPCBG-SNVBAGLBSA-N 1 2 410.276 -0.992 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[NH+]4CCN3CC4)C2=O)cc1 ZINC000746912777 1070473897 /nfs/dbraw/zinc/47/38/97/1070473897.db2.gz BXCHBIXFMCKIBU-FOIQADDNSA-N 1 2 401.467 -0.422 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3C[NH+]4CCN3CC4)C2=O)cc1 ZINC000746912778 1070474993 /nfs/dbraw/zinc/47/49/93/1070474993.db2.gz BXCHBIXFMCKIBU-MGPUTAFESA-N 1 2 401.467 -0.422 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3C[NH+]4CCN3CC4)C2=O)cc1 ZINC000746912779 1070474743 /nfs/dbraw/zinc/47/47/43/1070474743.db2.gz BXCHBIXFMCKIBU-QRWLVFNGSA-N 1 2 401.467 -0.422 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3C[NH+]4CCN3CC4)C2=O)cc1 ZINC000746912780 1070474928 /nfs/dbraw/zinc/47/49/28/1070474928.db2.gz BXCHBIXFMCKIBU-YWZLYKJASA-N 1 2 401.467 -0.422 20 0 HBADLO C[C@H](CS(C)(=O)=O)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000747076287 1070511002 /nfs/dbraw/zinc/51/10/02/1070511002.db2.gz PAALPDSMONYAIM-GFCCVEGCSA-N 1 2 424.483 -0.764 20 0 HBADLO C[C@@H](CS(C)(=O)=O)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000747076289 1070510928 /nfs/dbraw/zinc/51/09/28/1070510928.db2.gz PAALPDSMONYAIM-LBPRGKRZSA-N 1 2 424.483 -0.764 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(C(N)=O)o2)CC1 ZINC000747181801 1070546920 /nfs/dbraw/zinc/54/69/20/1070546920.db2.gz UCYUZAJMUBVEFF-UHFFFAOYSA-N 1 2 413.394 -0.439 20 0 HBADLO COCCN1C(=O)c2ccc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)cc2S1(=O)=O ZINC000747315528 1070634623 /nfs/dbraw/zinc/63/46/23/1070634623.db2.gz NDSVTACPGMPJQV-AWEZNQCLSA-N 1 2 408.480 -0.793 20 0 HBADLO COCCN1C(=O)c2ccc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)cc2S1(=O)=O ZINC000747315530 1070634464 /nfs/dbraw/zinc/63/44/64/1070634464.db2.gz NDSVTACPGMPJQV-CQSZACIVSA-N 1 2 408.480 -0.793 20 0 HBADLO NC(=O)C[N@H+]1CCCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747379970 1070685087 /nfs/dbraw/zinc/68/50/87/1070685087.db2.gz ISGLQBXHADZEQP-UHFFFAOYSA-N 1 2 417.510 -0.040 20 0 HBADLO NC(=O)C[N@@H+]1CCCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000747379970 1070685082 /nfs/dbraw/zinc/68/50/82/1070685082.db2.gz ISGLQBXHADZEQP-UHFFFAOYSA-N 1 2 417.510 -0.040 20 0 HBADLO CCN=c1nc2[n-]nc(SCC(=O)NCC3(O)CC[NH+](C)CC3)n2c(NCC)[nH+]1 ZINC000747411585 1070700630 /nfs/dbraw/zinc/70/06/30/1070700630.db2.gz HPNXWAAKXUHMQC-UHFFFAOYSA-N 1 2 423.547 -0.530 20 0 HBADLO CN(C)C(=O)Cn1cc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC000747552577 1070751402 /nfs/dbraw/zinc/75/14/02/1070751402.db2.gz LRHRLEAGUHNGLA-UHFFFAOYSA-N 1 2 400.505 -0.398 20 0 HBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000747584507 1070771349 /nfs/dbraw/zinc/77/13/49/1070771349.db2.gz LVHMAFHUIYLANX-INIZCTEOSA-N 1 2 406.549 -0.211 20 0 HBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000747584507 1070771340 /nfs/dbraw/zinc/77/13/40/1070771340.db2.gz LVHMAFHUIYLANX-INIZCTEOSA-N 1 2 406.549 -0.211 20 0 HBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000747584511 1070771906 /nfs/dbraw/zinc/77/19/06/1070771906.db2.gz LVHMAFHUIYLANX-MRXNPFEDSA-N 1 2 406.549 -0.211 20 0 HBADLO CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000747584511 1070771895 /nfs/dbraw/zinc/77/18/95/1070771895.db2.gz LVHMAFHUIYLANX-MRXNPFEDSA-N 1 2 406.549 -0.211 20 0 HBADLO C[N@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000747590192 1070774305 /nfs/dbraw/zinc/77/43/05/1070774305.db2.gz DAJOVFDQFQAMJH-GFCCVEGCSA-N 1 2 416.504 -0.802 20 0 HBADLO C[N@@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000747590192 1070774290 /nfs/dbraw/zinc/77/42/90/1070774290.db2.gz DAJOVFDQFQAMJH-GFCCVEGCSA-N 1 2 416.504 -0.802 20 0 HBADLO C[N@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000747590193 1070774507 /nfs/dbraw/zinc/77/45/07/1070774507.db2.gz DAJOVFDQFQAMJH-LBPRGKRZSA-N 1 2 416.504 -0.802 20 0 HBADLO C[N@@H+]1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000747590193 1070774499 /nfs/dbraw/zinc/77/44/99/1070774499.db2.gz DAJOVFDQFQAMJH-LBPRGKRZSA-N 1 2 416.504 -0.802 20 0 HBADLO 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ASJYFSRPFCWXDI-UHFFFAOYSA-N 1 2 421.502 -0.685 20 0 HBADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(=O)n(C)c1=O ZINC000759896426 1069168955 /nfs/dbraw/zinc/16/89/55/1069168955.db2.gz BRPLAEMAPFWDPM-GFCCVEGCSA-N 1 2 412.450 -0.618 20 0 HBADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c(=O)n(C)c1=O ZINC000759896426 1069168950 /nfs/dbraw/zinc/16/89/50/1069168950.db2.gz BRPLAEMAPFWDPM-GFCCVEGCSA-N 1 2 412.450 -0.618 20 0 HBADLO Cn1c(N)c(C(=O)C[N@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(=O)n(C)c1=O ZINC000759896427 1069168768 /nfs/dbraw/zinc/16/87/68/1069168768.db2.gz BRPLAEMAPFWDPM-LBPRGKRZSA-N 1 2 412.450 -0.618 20 0 HBADLO Cn1c(N)c(C(=O)C[N@@H+]2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c(=O)n(C)c1=O ZINC000759896427 1069168762 /nfs/dbraw/zinc/16/87/62/1069168762.db2.gz BRPLAEMAPFWDPM-LBPRGKRZSA-N 1 2 412.450 -0.618 20 0 HBADLO CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)CC1 ZINC000760094868 1071195900 /nfs/dbraw/zinc/19/59/00/1071195900.db2.gz 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20 0 HBADLO CCN(CC)C(=O)CSc1nnc(SCC(=O)N2CC[NH+](C)CC2)n1N ZINC000760186641 1069170588 /nfs/dbraw/zinc/17/05/88/1069170588.db2.gz DCBSPFCRERZXEH-UHFFFAOYSA-N 1 2 401.562 -0.182 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000760205782 1069173392 /nfs/dbraw/zinc/17/33/92/1069173392.db2.gz IJGLETILSQXZEI-GJZGRUSLSA-N 1 2 402.386 -0.131 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 ZINC000760205782 1069173385 /nfs/dbraw/zinc/17/33/85/1069173385.db2.gz IJGLETILSQXZEI-GJZGRUSLSA-N 1 2 402.386 -0.131 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000760205783 1069173533 /nfs/dbraw/zinc/17/35/33/1069173533.db2.gz IJGLETILSQXZEI-LSDHHAIUSA-N 1 2 402.386 -0.131 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 ZINC000760205783 1069173530 /nfs/dbraw/zinc/17/35/30/1069173530.db2.gz IJGLETILSQXZEI-LSDHHAIUSA-N 1 2 402.386 -0.131 20 0 HBADLO 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ZINC000760531802 1069517820 /nfs/dbraw/zinc/51/78/20/1069517820.db2.gz ITVCDYPPDMLNTM-KBPBESRZSA-N 1 2 401.427 -0.380 20 0 HBADLO COC(=O)c1cn([C@H]2CC[N@@H+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)C2)nn1 ZINC000760531805 1069517806 /nfs/dbraw/zinc/51/78/06/1069517806.db2.gz ITVCDYPPDMLNTM-KGLIPLIRSA-N 1 2 401.427 -0.380 20 0 HBADLO COC(=O)c1cn([C@H]2CC[N@H+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)C2)nn1 ZINC000760531805 1069517797 /nfs/dbraw/zinc/51/77/97/1069517797.db2.gz ITVCDYPPDMLNTM-KGLIPLIRSA-N 1 2 401.427 -0.380 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)C2)nn1 ZINC000760531808 1069517846 /nfs/dbraw/zinc/51/78/46/1069517846.db2.gz ITVCDYPPDMLNTM-UONOGXRCSA-N 1 2 401.427 -0.380 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CN3C(=O)C[C@H](Cc4cnn(C)c4)C3=O)C2)nn1 ZINC000760531808 1069517838 /nfs/dbraw/zinc/51/78/38/1069517838.db2.gz ITVCDYPPDMLNTM-UONOGXRCSA-N 1 2 401.427 -0.380 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@@H+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)C2)nn1 ZINC000760531810 1069517983 /nfs/dbraw/zinc/51/79/83/1069517983.db2.gz ITVCDYPPDMLNTM-ZIAGYGMSSA-N 1 2 401.427 -0.380 20 0 HBADLO COC(=O)c1cn([C@@H]2CC[N@H+](CN3C(=O)C[C@@H](Cc4cnn(C)c4)C3=O)C2)nn1 ZINC000760531810 1069517972 /nfs/dbraw/zinc/51/79/72/1069517972.db2.gz ITVCDYPPDMLNTM-ZIAGYGMSSA-N 1 2 401.427 -0.380 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000760679954 1070732207 /nfs/dbraw/zinc/73/22/07/1070732207.db2.gz XTNFQLLOKMMFNV-HNNXBMFYSA-N 1 2 401.533 -0.259 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000760679958 1070731991 /nfs/dbraw/zinc/73/19/91/1070731991.db2.gz XTNFQLLOKMMFNV-OAHLLOKOSA-N 1 2 401.533 -0.259 20 0 HBADLO Cc1nnnn1-c1ccc(F)c(NC(=O)C[NH+]2CCC(C(=O)NCCO)CC2)c1 ZINC000760821725 1070854740 /nfs/dbraw/zinc/85/47/40/1070854740.db2.gz IAQPZRVFSNMVPJ-UHFFFAOYSA-N 1 2 405.434 -0.131 20 0 HBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(=O)[nH]c1=O ZINC000760878587 1070874915 /nfs/dbraw/zinc/87/49/15/1070874915.db2.gz IYGFAIOIAYMIEE-HNNXBMFYSA-N 1 2 420.470 -0.461 20 0 HBADLO COCCn1c(N)c(C(=O)C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(=O)[nH]c1=O ZINC000760878589 1070874753 /nfs/dbraw/zinc/87/47/53/1070874753.db2.gz IYGFAIOIAYMIEE-OAHLLOKOSA-N 1 2 420.470 -0.461 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000760881661 1070873939 /nfs/dbraw/zinc/87/39/39/1070873939.db2.gz XYUZGTUHMJGJEW-ABAIWWIYSA-N 1 2 404.471 -0.584 20 0 HBADLO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000760881669 1070874425 /nfs/dbraw/zinc/87/44/25/1070874425.db2.gz XYUZGTUHMJGJEW-IAQYHMDHSA-N 1 2 404.471 -0.584 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000760881672 1070873906 /nfs/dbraw/zinc/87/39/06/1070873906.db2.gz XYUZGTUHMJGJEW-NHYWBVRUSA-N 1 2 404.471 -0.584 20 0 HBADLO C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000760881675 1070873859 /nfs/dbraw/zinc/87/38/59/1070873859.db2.gz XYUZGTUHMJGJEW-XHDPSFHLSA-N 1 2 404.471 -0.584 20 0 HBADLO CC1(C2CC[NH+](CC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2)OCCO1 ZINC000760901406 1070884110 /nfs/dbraw/zinc/88/41/10/1070884110.db2.gz SFNAMLQGLFGUSC-KRWDZBQOSA-N 1 2 415.556 -0.207 20 0 HBADLO CC1(C2CC[NH+](CC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2)OCCO1 ZINC000760901408 1070884303 /nfs/dbraw/zinc/88/43/03/1070884303.db2.gz SFNAMLQGLFGUSC-QGZVFWFLSA-N 1 2 415.556 -0.207 20 0 HBADLO CC1CCC2(CC1)NC(=O)N(NC(=O)C[NH+]1CCC3(CC1)NC(=O)N(C)C3=O)C2=O ZINC000761106084 1070946985 /nfs/dbraw/zinc/94/69/85/1070946985.db2.gz SDXWNGRWRUBGLM-UHFFFAOYSA-N 1 2 420.470 -0.466 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC000761203890 1070961000 /nfs/dbraw/zinc/96/10/00/1070961000.db2.gz BHUJVINVOQMUJX-GFCCVEGCSA-N 1 2 401.427 -0.919 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000761203898 1070961043 /nfs/dbraw/zinc/96/10/43/1070961043.db2.gz BHUJVINVOQMUJX-LBPRGKRZSA-N 1 2 401.427 -0.919 20 0 HBADLO O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761301970 1070988672 /nfs/dbraw/zinc/98/86/72/1070988672.db2.gz VLACWYOSQVGNAG-KFWWJZLASA-N 1 2 402.455 -0.321 20 0 HBADLO O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761301970 1070988663 /nfs/dbraw/zinc/98/86/63/1070988663.db2.gz VLACWYOSQVGNAG-KFWWJZLASA-N 1 2 402.455 -0.321 20 0 HBADLO O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000761301974 1070988571 /nfs/dbraw/zinc/98/85/71/1070988571.db2.gz VLACWYOSQVGNAG-ZNMIVQPWSA-N 1 2 402.455 -0.321 20 0 HBADLO O=C1[C@@H]2C[C@@H](O)CN2C(=O)N1[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000761301974 1070988551 /nfs/dbraw/zinc/98/85/51/1070988551.db2.gz VLACWYOSQVGNAG-ZNMIVQPWSA-N 1 2 402.455 -0.321 20 0 HBADLO COC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000761525829 1071573539 /nfs/dbraw/zinc/57/35/39/1071573539.db2.gz VHIRBMNANCGTIW-NSHDSACASA-N 1 2 405.415 -0.700 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCCC3(C2)OCCO3)CC1 ZINC000761684289 1071623491 /nfs/dbraw/zinc/62/34/91/1071623491.db2.gz BHQIIQPSDDQPBX-UHFFFAOYSA-N 1 2 401.471 -0.149 20 0 HBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2CCCC3(C2)OCCO3)CC1 ZINC000761684289 1071623489 /nfs/dbraw/zinc/62/34/89/1071623489.db2.gz BHQIIQPSDDQPBX-UHFFFAOYSA-N 1 2 401.471 -0.149 20 0 HBADLO O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761708858 1071625884 /nfs/dbraw/zinc/62/58/84/1071625884.db2.gz VNABKNVVBYTDAJ-INIZCTEOSA-N 1 2 410.496 -0.566 20 0 HBADLO O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761708860 1071625895 /nfs/dbraw/zinc/62/58/95/1071625895.db2.gz VNABKNVVBYTDAJ-MRXNPFEDSA-N 1 2 410.496 -0.566 20 0 HBADLO O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC000761753517 1071628121 /nfs/dbraw/zinc/62/81/21/1071628121.db2.gz RVUGNQFPKAFRLO-HNNXBMFYSA-N 1 2 410.496 -0.566 20 0 HBADLO O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000761753522 1071628140 /nfs/dbraw/zinc/62/81/40/1071628140.db2.gz RVUGNQFPKAFRLO-OAHLLOKOSA-N 1 2 410.496 -0.566 20 0 HBADLO CNC(=O)[C@H]1CCCN(c2nc(NC3CC3)nc(N3CCC[C@H](C(=O)NC)C3)[nH+]2)C1 ZINC000762194588 1071674034 /nfs/dbraw/zinc/67/40/34/1071674034.db2.gz LNCVINDIPIHZDA-KBPBESRZSA-N 1 2 416.530 -0.207 20 0 HBADLO CNC(=O)[C@@H]1CCCN(c2nc(NC3CC3)nc(N3CCC[C@@H](C(=O)NC)C3)[nH+]2)C1 ZINC000762194590 1071673879 /nfs/dbraw/zinc/67/38/79/1071673879.db2.gz LNCVINDIPIHZDA-ZIAGYGMSSA-N 1 2 416.530 -0.207 20 0 HBADLO CN(CCN1CCCC1=O)c1nc(NC2CC2)nc(N(C)CCN2CCCC2=O)[nH+]1 ZINC000762194609 1071673998 /nfs/dbraw/zinc/67/39/98/1071673998.db2.gz MDKQESVLRRVWFB-UHFFFAOYSA-N 1 2 416.530 -0.015 20 0 HBADLO Cn1cc(-c2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)nc3)no2)c(=O)n(C)c1=O ZINC000762236425 1071676317 /nfs/dbraw/zinc/67/63/17/1071676317.db2.gz XXSWEPNARXMKPR-UHFFFAOYSA-N 1 2 411.422 -0.416 20 0 HBADLO C[C@](CO)(NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000762268678 1071678678 /nfs/dbraw/zinc/67/86/78/1071678678.db2.gz JRBLAHHQJLKWNP-GOSISDBHSA-N 1 2 411.528 -0.006 20 0 HBADLO C[C@@](CO)(NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000762268680 1071678477 /nfs/dbraw/zinc/67/84/77/1071678477.db2.gz JRBLAHHQJLKWNP-SFHVURJKSA-N 1 2 411.528 -0.006 20 0 HBADLO COCCNC(=O)Cn1cc(NC(=O)C(=O)NCc2[nH+]cc(C)c(OC)c2C)cn1 ZINC000762445039 1071689907 /nfs/dbraw/zinc/68/99/07/1071689907.db2.gz WRJNFPTWSXSNHZ-UHFFFAOYSA-N 1 2 418.454 -0.079 20 0 HBADLO Cn1nccc1CCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000762567360 1071696392 /nfs/dbraw/zinc/69/63/92/1071696392.db2.gz BEUANXXNVYSNLZ-UHFFFAOYSA-N 1 2 421.527 -0.191 20 0 HBADLO COc1ccc(C(N)=[NH+]OCC(=O)NCCCN(C)S(C)(=O)=O)cc1OC ZINC000762697471 1071704383 /nfs/dbraw/zinc/70/43/83/1071704383.db2.gz TUJDGZBDERXCOS-UHFFFAOYSA-N 1 2 402.473 -0.052 20 0 HBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)n2c(NCC)[nH+]1 ZINC000762716944 1071706290 /nfs/dbraw/zinc/70/62/90/1071706290.db2.gz LJHDSAXOFJWDFX-INIZCTEOSA-N 1 2 409.520 -0.920 20 0 HBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@@]3(O)CC[N@H+](C)C3)n2c(NCC)[nH+]1 ZINC000762716944 1071706286 /nfs/dbraw/zinc/70/62/86/1071706286.db2.gz LJHDSAXOFJWDFX-INIZCTEOSA-N 1 2 409.520 -0.920 20 0 HBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@]3(O)CC[N@@H+](C)C3)n2c(NCC)[nH+]1 ZINC000762716951 1071706217 /nfs/dbraw/zinc/70/62/17/1071706217.db2.gz LJHDSAXOFJWDFX-MRXNPFEDSA-N 1 2 409.520 -0.920 20 0 HBADLO CCN=c1nc2[n-]nc(SCC(=O)NC[C@]3(O)CC[N@H+](C)C3)n2c(NCC)[nH+]1 ZINC000762716951 1071706210 /nfs/dbraw/zinc/70/62/10/1071706210.db2.gz LJHDSAXOFJWDFX-MRXNPFEDSA-N 1 2 409.520 -0.920 20 0 HBADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC000762924892 1071712428 /nfs/dbraw/zinc/71/24/28/1071712428.db2.gz IANIDVAHHRNZBV-HRYODUOUSA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC000762924892 1071712422 /nfs/dbraw/zinc/71/24/22/1071712422.db2.gz IANIDVAHHRNZBV-HRYODUOUSA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC000762924896 1071712537 /nfs/dbraw/zinc/71/25/37/1071712537.db2.gz IANIDVAHHRNZBV-IAOKNECISA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 ZINC000762924896 1071712532 /nfs/dbraw/zinc/71/25/32/1071712532.db2.gz IANIDVAHHRNZBV-IAOKNECISA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@H]1CC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC000762924899 1071712616 /nfs/dbraw/zinc/71/26/16/1071712616.db2.gz IANIDVAHHRNZBV-JGWKKKPCSA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC000762924899 1071712606 /nfs/dbraw/zinc/71/26/06/1071712606.db2.gz IANIDVAHHRNZBV-JGWKKKPCSA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC000762924900 1071713144 /nfs/dbraw/zinc/71/31/44/1071713144.db2.gz IANIDVAHHRNZBV-SJWLEHQBSA-N 1 2 418.479 -0.023 20 0 HBADLO NC(=O)N[C@@H]1CC[N@H+](CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 ZINC000762924900 1071713137 /nfs/dbraw/zinc/71/31/37/1071713137.db2.gz IANIDVAHHRNZBV-SJWLEHQBSA-N 1 2 418.479 -0.023 20 0 HBADLO CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2ncsc2S(N)(=O)=O)C1 ZINC000762955179 1071720151 /nfs/dbraw/zinc/72/01/51/1071720151.db2.gz UJSDNEPZUDKFQT-LLVKDONJSA-N 1 2 420.513 -0.580 20 0 HBADLO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COC(=O)c2ncsc2S(N)(=O)=O)C1 ZINC000762955179 1071720142 /nfs/dbraw/zinc/72/01/42/1071720142.db2.gz UJSDNEPZUDKFQT-LLVKDONJSA-N 1 2 420.513 -0.580 20 0 HBADLO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ncsc2S(N)(=O)=O)C1 ZINC000762955182 1071720255 /nfs/dbraw/zinc/72/02/55/1071720255.db2.gz UJSDNEPZUDKFQT-NSHDSACASA-N 1 2 420.513 -0.580 20 0 HBADLO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COC(=O)c2ncsc2S(N)(=O)=O)C1 ZINC000762955182 1071720250 /nfs/dbraw/zinc/72/02/50/1071720250.db2.gz UJSDNEPZUDKFQT-NSHDSACASA-N 1 2 420.513 -0.580 20 0 HBADLO C[C@@H](O)c1cn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000763045142 1071726220 /nfs/dbraw/zinc/72/62/20/1071726220.db2.gz UEALALJGVMFBPI-CABCVRRESA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@@H](O)c1cn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000763045142 1071726216 /nfs/dbraw/zinc/72/62/16/1071726216.db2.gz UEALALJGVMFBPI-CABCVRRESA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@H](O)c1cn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000763045144 1071726320 /nfs/dbraw/zinc/72/63/20/1071726320.db2.gz UEALALJGVMFBPI-GJZGRUSLSA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@H](O)c1cn(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000763045144 1071726316 /nfs/dbraw/zinc/72/63/16/1071726316.db2.gz UEALALJGVMFBPI-GJZGRUSLSA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@@H](O)c1cn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000763045147 1071726260 /nfs/dbraw/zinc/72/62/60/1071726260.db2.gz UEALALJGVMFBPI-HUUCEWRRSA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@@H](O)c1cn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000763045147 1071726249 /nfs/dbraw/zinc/72/62/49/1071726249.db2.gz UEALALJGVMFBPI-HUUCEWRRSA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@H](O)c1cn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nn1 ZINC000763045149 1071726289 /nfs/dbraw/zinc/72/62/89/1071726289.db2.gz UEALALJGVMFBPI-LSDHHAIUSA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@H](O)c1cn(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)nn1 ZINC000763045149 1071726286 /nfs/dbraw/zinc/72/62/86/1071726286.db2.gz UEALALJGVMFBPI-LSDHHAIUSA-N 1 2 416.486 -0.257 20 0 HBADLO C[C@H](O)c1cn(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC000763049771 1071725854 /nfs/dbraw/zinc/72/58/54/1071725854.db2.gz AJJAKSYXARTPGX-AWEZNQCLSA-N 1 2 402.459 -0.693 20 0 HBADLO C[C@H](O)c1cn(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC000763049771 1071725847 /nfs/dbraw/zinc/72/58/47/1071725847.db2.gz AJJAKSYXARTPGX-AWEZNQCLSA-N 1 2 402.459 -0.693 20 0 HBADLO C[C@@H](O)c1cn(CC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)nn1 ZINC000763049776 1071725881 /nfs/dbraw/zinc/72/58/81/1071725881.db2.gz AJJAKSYXARTPGX-CQSZACIVSA-N 1 2 402.459 -0.693 20 0 HBADLO C[C@@H](O)c1cn(CC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)nn1 ZINC000763049776 1071725877 /nfs/dbraw/zinc/72/58/77/1071725877.db2.gz AJJAKSYXARTPGX-CQSZACIVSA-N 1 2 402.459 -0.693 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](CO)c3cnn(C)c3)C2=O)cc1 ZINC000763124191 1071729129 /nfs/dbraw/zinc/72/91/29/1071729129.db2.gz QBMUUIPDHNNJCV-BEFAXECRSA-N 1 2 416.438 -0.450 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@H](CO)c3cnn(C)c3)C2=O)cc1 ZINC000763124192 1071729240 /nfs/dbraw/zinc/72/92/40/1071729240.db2.gz QBMUUIPDHNNJCV-DNVCBOLYSA-N 1 2 416.438 -0.450 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)C2=O)cc1 ZINC000763124193 1071729031 /nfs/dbraw/zinc/72/90/31/1071729031.db2.gz QBMUUIPDHNNJCV-HNAYVOBHSA-N 1 2 416.438 -0.450 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH2+][C@@H](CO)c3cnn(C)c3)C2=O)cc1 ZINC000763124194 1071729061 /nfs/dbraw/zinc/72/90/61/1071729061.db2.gz QBMUUIPDHNNJCV-KXBFYZLASA-N 1 2 416.438 -0.450 20 0 HBADLO CN1CCN(S(=O)(=O)N2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CC1 ZINC000763185337 1071737662 /nfs/dbraw/zinc/73/76/62/1071737662.db2.gz JITFORZJJROZLZ-UHFFFAOYSA-N 1 2 401.455 -0.835 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000763236880 1071742431 /nfs/dbraw/zinc/74/24/31/1071742431.db2.gz JJHAFRLSXUQOQM-ZDUSSCGKSA-N 1 2 409.443 -0.311 20 0 HBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000763236880 1071742422 /nfs/dbraw/zinc/74/24/22/1071742422.db2.gz JJHAFRLSXUQOQM-ZDUSSCGKSA-N 1 2 409.443 -0.311 20 0 HBADLO COC(=O)CCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763329214 1071746777 /nfs/dbraw/zinc/74/67/77/1071746777.db2.gz GONUTCADUPERDG-CYBMUJFWSA-N 1 2 408.521 -0.133 20 0 HBADLO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763329214 1071746772 /nfs/dbraw/zinc/74/67/72/1071746772.db2.gz GONUTCADUPERDG-CYBMUJFWSA-N 1 2 408.521 -0.133 20 0 HBADLO COC(=O)CCN(C)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763329218 1071746692 /nfs/dbraw/zinc/74/66/92/1071746692.db2.gz GONUTCADUPERDG-ZDUSSCGKSA-N 1 2 408.521 -0.133 20 0 HBADLO COC(=O)CCN(C)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763329218 1071746686 /nfs/dbraw/zinc/74/66/86/1071746686.db2.gz GONUTCADUPERDG-ZDUSSCGKSA-N 1 2 408.521 -0.133 20 0 HBADLO COCCN(CCOC)S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763329521 1071746659 /nfs/dbraw/zinc/74/66/59/1071746659.db2.gz ICTISKWPFXQZRQ-HNNXBMFYSA-N 1 2 424.564 -0.033 20 0 HBADLO COCCN(CCOC)S(=O)(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763329521 1071746655 /nfs/dbraw/zinc/74/66/55/1071746655.db2.gz ICTISKWPFXQZRQ-HNNXBMFYSA-N 1 2 424.564 -0.033 20 0 HBADLO COCCN(CCOC)S(=O)(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763329523 1071746702 /nfs/dbraw/zinc/74/67/02/1071746702.db2.gz ICTISKWPFXQZRQ-OAHLLOKOSA-N 1 2 424.564 -0.033 20 0 HBADLO COCCN(CCOC)S(=O)(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763329523 1071746699 /nfs/dbraw/zinc/74/66/99/1071746699.db2.gz ICTISKWPFXQZRQ-OAHLLOKOSA-N 1 2 424.564 -0.033 20 0 HBADLO CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763470701 1072095917 /nfs/dbraw/zinc/09/59/17/1072095917.db2.gz YROBUJZYZQEPLZ-AWEZNQCLSA-N 1 2 422.548 -0.390 20 0 HBADLO CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000763470701 1072095906 /nfs/dbraw/zinc/09/59/06/1072095906.db2.gz YROBUJZYZQEPLZ-AWEZNQCLSA-N 1 2 422.548 -0.390 20 0 HBADLO CCOCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763470702 1072095759 /nfs/dbraw/zinc/09/57/59/1072095759.db2.gz YROBUJZYZQEPLZ-CQSZACIVSA-N 1 2 422.548 -0.390 20 0 HBADLO CCOCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000763470702 1072095746 /nfs/dbraw/zinc/09/57/46/1072095746.db2.gz YROBUJZYZQEPLZ-CQSZACIVSA-N 1 2 422.548 -0.390 20 0 HBADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000763473731 1072098567 /nfs/dbraw/zinc/09/85/67/1072098567.db2.gz PHDJAJVTUAMCTE-CYBMUJFWSA-N 1 2 409.491 -0.353 20 0 HBADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000763473731 1072098559 /nfs/dbraw/zinc/09/85/59/1072098559.db2.gz PHDJAJVTUAMCTE-CYBMUJFWSA-N 1 2 409.491 -0.353 20 0 HBADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000763473736 1072098495 /nfs/dbraw/zinc/09/84/95/1072098495.db2.gz PHDJAJVTUAMCTE-ZDUSSCGKSA-N 1 2 409.491 -0.353 20 0 HBADLO CN(C)C(=O)Cn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)nn1 ZINC000763473736 1072098484 /nfs/dbraw/zinc/09/84/84/1072098484.db2.gz PHDJAJVTUAMCTE-ZDUSSCGKSA-N 1 2 409.491 -0.353 20 0 HBADLO C[N@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478781 1072108890 /nfs/dbraw/zinc/10/88/90/1072108890.db2.gz UNOWRIXOPYMGSB-AWEZNQCLSA-N 1 2 419.548 -0.431 20 0 HBADLO C[N@@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478781 1072108887 /nfs/dbraw/zinc/10/88/87/1072108887.db2.gz UNOWRIXOPYMGSB-AWEZNQCLSA-N 1 2 419.548 -0.431 20 0 HBADLO C[N@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478786 1072108914 /nfs/dbraw/zinc/10/89/14/1072108914.db2.gz UNOWRIXOPYMGSB-CQSZACIVSA-N 1 2 419.548 -0.431 20 0 HBADLO C[N@@H+]1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000763478786 1072108913 /nfs/dbraw/zinc/10/89/13/1072108913.db2.gz UNOWRIXOPYMGSB-CQSZACIVSA-N 1 2 419.548 -0.431 20 0 HBADLO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C(=O)C1=O ZINC000763480168 1072109434 /nfs/dbraw/zinc/10/94/34/1072109434.db2.gz ZAFSRPZFFJSNFG-AWEZNQCLSA-N 1 2 411.503 -0.656 20 0 HBADLO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)C(=O)C1=O ZINC000763480168 1072109432 /nfs/dbraw/zinc/10/94/32/1072109432.db2.gz ZAFSRPZFFJSNFG-AWEZNQCLSA-N 1 2 411.503 -0.656 20 0 HBADLO CCN1CCN(CC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C(=O)C1=O ZINC000763480170 1072109397 /nfs/dbraw/zinc/10/93/97/1072109397.db2.gz ZAFSRPZFFJSNFG-CQSZACIVSA-N 1 2 411.503 -0.656 20 0 HBADLO CCN1CCN(CC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)C(=O)C1=O ZINC000763480170 1072109392 /nfs/dbraw/zinc/10/93/92/1072109392.db2.gz ZAFSRPZFFJSNFG-CQSZACIVSA-N 1 2 411.503 -0.656 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000763716498 1072182229 /nfs/dbraw/zinc/18/22/29/1072182229.db2.gz WHMSOADLHGJMFP-CYBMUJFWSA-N 1 2 400.443 -0.852 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000763716530 1072182255 /nfs/dbraw/zinc/18/22/55/1072182255.db2.gz WHMSOADLHGJMFP-ZDUSSCGKSA-N 1 2 400.443 -0.852 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000763839659 1072202996 /nfs/dbraw/zinc/20/29/96/1072202996.db2.gz CMAOZDPJUDMBHK-HNNXBMFYSA-N 1 2 406.443 -0.793 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000763839664 1072202829 /nfs/dbraw/zinc/20/28/29/1072202829.db2.gz CMAOZDPJUDMBHK-OAHLLOKOSA-N 1 2 406.443 -0.793 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000763845547 1072202592 /nfs/dbraw/zinc/20/25/92/1072202592.db2.gz LBTHOXWRJDFCDX-AWEZNQCLSA-N 1 2 406.443 -0.793 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000763845548 1072202271 /nfs/dbraw/zinc/20/22/71/1072202271.db2.gz LBTHOXWRJDFCDX-CQSZACIVSA-N 1 2 406.443 -0.793 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@]3(CO)CCOC3)C2=O)c1 ZINC000763892226 1072208084 /nfs/dbraw/zinc/20/80/84/1072208084.db2.gz CALLTUALEVNNAH-MOPGFXCFSA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@]3(CO)CCOC3)C2=O)c1 ZINC000763892226 1072208080 /nfs/dbraw/zinc/20/80/80/1072208080.db2.gz CALLTUALEVNNAH-MOPGFXCFSA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@]3(CO)CCOC3)C2=O)c1 ZINC000763892227 1072208001 /nfs/dbraw/zinc/20/80/01/1072208001.db2.gz CALLTUALEVNNAH-OALUTQOASA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@]3(CO)CCOC3)C2=O)c1 ZINC000763892227 1072207988 /nfs/dbraw/zinc/20/79/88/1072207988.db2.gz CALLTUALEVNNAH-OALUTQOASA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@@]3(CO)CCOC3)C2=O)c1 ZINC000763892228 1072208223 /nfs/dbraw/zinc/20/82/23/1072208223.db2.gz CALLTUALEVNNAH-RBUKOAKNSA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@@]3(CO)CCOC3)C2=O)c1 ZINC000763892228 1072208218 /nfs/dbraw/zinc/20/82/18/1072208218.db2.gz CALLTUALEVNNAH-RBUKOAKNSA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)[C@@]3(CO)CCOC3)C2=O)c1 ZINC000763892229 1072208069 /nfs/dbraw/zinc/20/80/69/1072208069.db2.gz CALLTUALEVNNAH-RTBURBONSA-N 1 2 406.439 -0.423 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)[C@@]3(CO)CCOC3)C2=O)c1 ZINC000763892229 1072208061 /nfs/dbraw/zinc/20/80/61/1072208061.db2.gz CALLTUALEVNNAH-RTBURBONSA-N 1 2 406.439 -0.423 20 0 HBADLO C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764076055 1068980851 /nfs/dbraw/zinc/98/08/51/1068980851.db2.gz PQAKQWOPWYCHBL-DOTOQJQBSA-N 1 2 407.540 -0.032 20 0 HBADLO C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000764076057 1068980742 /nfs/dbraw/zinc/98/07/42/1068980742.db2.gz PQAKQWOPWYCHBL-NVXWUHKLSA-N 1 2 407.540 -0.032 20 0 HBADLO C[C@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764076061 1068980632 /nfs/dbraw/zinc/98/06/32/1068980632.db2.gz PQAKQWOPWYCHBL-RDJZCZTQSA-N 1 2 407.540 -0.032 20 0 HBADLO C[C@@H]1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000764076065 1068980654 /nfs/dbraw/zinc/98/06/54/1068980654.db2.gz PQAKQWOPWYCHBL-WBVHZDCISA-N 1 2 407.540 -0.032 20 0 HBADLO CNc1nc(N2CCN3C(=O)OCC[C@@H]3C2)[nH+]c(N2CCN3C(=O)OCC[C@@H]3C2)n1 ZINC000764175201 1068984110 /nfs/dbraw/zinc/98/41/10/1068984110.db2.gz LEGQTYXRJHCDHK-CHWSQXEVSA-N 1 2 418.458 -0.603 20 0 HBADLO CNc1nc(N2CCN3C(=O)OCC[C@H]3C2)[nH+]c(N2CCN3C(=O)OCC[C@H]3C2)n1 ZINC000764175202 1068984261 /nfs/dbraw/zinc/98/42/61/1068984261.db2.gz LEGQTYXRJHCDHK-STQMWFEESA-N 1 2 418.458 -0.603 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@@H]3C2)CC1 ZINC000764296858 1068988340 /nfs/dbraw/zinc/98/83/40/1068988340.db2.gz LAOFSZOPRJIMMZ-AWEZNQCLSA-N 1 2 415.450 -0.324 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN3C(=O)OC[C@H]3C2)CC1 ZINC000764296859 1068988154 /nfs/dbraw/zinc/98/81/54/1068988154.db2.gz LAOFSZOPRJIMMZ-CQSZACIVSA-N 1 2 415.450 -0.324 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CCN3C(=O)OCC[C@H]3C2)CC1 ZINC000764444813 1068990830 /nfs/dbraw/zinc/99/08/30/1068990830.db2.gz CAWSQRZDWUPYRJ-AWEZNQCLSA-N 1 2 414.470 -0.462 20 0 HBADLO 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/nfs/dbraw/zinc/25/05/64/1070250564.db2.gz LPLKVENJTCLJPG-FQEVSTJZSA-N 1 2 406.483 -0.116 20 0 HBADLO C[N@@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC(C)(CO)CO ZINC000770524006 1070250422 /nfs/dbraw/zinc/25/04/22/1070250422.db2.gz LPLKVENJTCLJPG-HXUWFJFHSA-N 1 2 406.483 -0.116 20 0 HBADLO C[N@H+](CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC(C)(CO)CO ZINC000770524006 1070250409 /nfs/dbraw/zinc/25/04/09/1070250409.db2.gz LPLKVENJTCLJPG-HXUWFJFHSA-N 1 2 406.483 -0.116 20 0 HBADLO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000770790062 1070256646 /nfs/dbraw/zinc/25/66/46/1070256646.db2.gz DMTIQODTSBUGAB-AWEZNQCLSA-N 1 2 408.459 -0.499 20 0 HBADLO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000770790064 1070256730 /nfs/dbraw/zinc/25/67/30/1070256730.db2.gz DMTIQODTSBUGAB-CQSZACIVSA-N 1 2 408.459 -0.499 20 0 HBADLO CCOC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000770804828 1070257421 /nfs/dbraw/zinc/25/74/21/1070257421.db2.gz YKFMIRCUIDQKSL-AWEZNQCLSA-N 1 2 408.459 -0.499 20 0 HBADLO CCOC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000770804832 1070257301 /nfs/dbraw/zinc/25/73/01/1070257301.db2.gz YKFMIRCUIDQKSL-CQSZACIVSA-N 1 2 408.459 -0.499 20 0 HBADLO O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000770854732 1070258180 /nfs/dbraw/zinc/25/81/80/1070258180.db2.gz QTLIQMWBALFGFQ-CEXWTWQISA-N 1 2 405.495 -0.232 20 0 HBADLO O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000770854733 1070257843 /nfs/dbraw/zinc/25/78/43/1070257843.db2.gz QTLIQMWBALFGFQ-FHWLQOOXSA-N 1 2 405.495 -0.232 20 0 HBADLO O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000770854734 1070257892 /nfs/dbraw/zinc/25/78/92/1070257892.db2.gz QTLIQMWBALFGFQ-GBESFXJTSA-N 1 2 405.495 -0.232 20 0 HBADLO O=C(N[C@H](CO)C[C@H](O)c1ccccc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000770854735 1070258156 /nfs/dbraw/zinc/25/81/56/1070258156.db2.gz QTLIQMWBALFGFQ-QYZOEREBSA-N 1 2 405.495 -0.232 20 0 HBADLO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](CC[S@@](C)=O)CC3)nc2)CC1 ZINC000771148236 1070262826 /nfs/dbraw/zinc/26/28/26/1070262826.db2.gz UWVRFJHQIKCWLZ-AREMUKBSSA-N 1 2 415.585 -0.482 20 0 HBADLO CN1CCN(S(=O)(=O)c2ccc(N3CC[NH+](CC[S@](C)=O)CC3)nc2)CC1 ZINC000771148239 1070262683 /nfs/dbraw/zinc/26/26/83/1070262683.db2.gz UWVRFJHQIKCWLZ-SANMLTNESA-N 1 2 415.585 -0.482 20 0 HBADLO CNS(=O)(=O)c1ccc(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cn1 ZINC000771336098 1070267966 /nfs/dbraw/zinc/26/79/66/1070267966.db2.gz GFAHAZXEKNBLFW-UHFFFAOYSA-N 1 2 404.514 -0.772 20 0 HBADLO COC(=O)C1=NOC2(C1)CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000771454217 1070269515 /nfs/dbraw/zinc/26/95/15/1070269515.db2.gz FIYIPNHRQOKMMZ-HNNXBMFYSA-N 1 2 422.482 -0.522 20 0 HBADLO COC(=O)C1=NOC2(C1)CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)CC2 ZINC000771454218 1070269576 /nfs/dbraw/zinc/26/95/76/1070269576.db2.gz FIYIPNHRQOKMMZ-OAHLLOKOSA-N 1 2 422.482 -0.522 20 0 HBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000771464859 1070272760 /nfs/dbraw/zinc/27/27/60/1070272760.db2.gz VZPQJNZSJUYPRG-FQEVSTJZSA-N 1 2 417.466 -0.518 20 0 HBADLO COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000771464859 1070272751 /nfs/dbraw/zinc/27/27/51/1070272751.db2.gz VZPQJNZSJUYPRG-FQEVSTJZSA-N 1 2 417.466 -0.518 20 0 HBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@@H+](CC(N)=O)CC2)C1=O ZINC000771464860 1070273030 /nfs/dbraw/zinc/27/30/30/1070273030.db2.gz VZPQJNZSJUYPRG-HXUWFJFHSA-N 1 2 417.466 -0.518 20 0 HBADLO COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[N@H+](CC(N)=O)CC2)C1=O ZINC000771464860 1070273017 /nfs/dbraw/zinc/27/30/17/1070273017.db2.gz VZPQJNZSJUYPRG-HXUWFJFHSA-N 1 2 417.466 -0.518 20 0 HBADLO COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000771549369 1070274576 /nfs/dbraw/zinc/27/45/76/1070274576.db2.gz CQNSLUQNTZOSNV-AWEZNQCLSA-N 1 2 422.548 -0.390 20 0 HBADLO COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000771549369 1070274565 /nfs/dbraw/zinc/27/45/65/1070274565.db2.gz CQNSLUQNTZOSNV-AWEZNQCLSA-N 1 2 422.548 -0.390 20 0 HBADLO COCCCS(=O)(=O)NCC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000771549376 1070274888 /nfs/dbraw/zinc/27/48/88/1070274888.db2.gz CQNSLUQNTZOSNV-CQSZACIVSA-N 1 2 422.548 -0.390 20 0 HBADLO COCCCS(=O)(=O)NCC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000771549376 1070274872 /nfs/dbraw/zinc/27/48/72/1070274872.db2.gz CQNSLUQNTZOSNV-CQSZACIVSA-N 1 2 422.548 -0.390 20 0 HBADLO COC(OC)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000771621170 1070276654 /nfs/dbraw/zinc/27/66/54/1070276654.db2.gz PBOFSEZESNRVDL-UHFFFAOYSA-N 1 2 416.500 -0.179 20 0 HBADLO Cc1ncc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000772019175 1070287170 /nfs/dbraw/zinc/28/71/70/1070287170.db2.gz ARPOEDIUNIAQNT-UHFFFAOYSA-N 1 2 416.573 -0.187 20 0 HBADLO C[N@@H+](CC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCSC1 ZINC000772064242 1070287213 /nfs/dbraw/zinc/28/72/13/1070287213.db2.gz WAUKKDJHQFJIDV-AWEZNQCLSA-N 1 2 415.537 -0.027 20 0 HBADLO C[N@H+](CC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCSC1 ZINC000772064242 1070287205 /nfs/dbraw/zinc/28/72/05/1070287205.db2.gz WAUKKDJHQFJIDV-AWEZNQCLSA-N 1 2 415.537 -0.027 20 0 HBADLO C[N@@H+](CC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCSC1 ZINC000772064245 1070288105 /nfs/dbraw/zinc/28/81/05/1070288105.db2.gz WAUKKDJHQFJIDV-CQSZACIVSA-N 1 2 415.537 -0.027 20 0 HBADLO C[N@H+](CC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCSC1 ZINC000772064245 1070288087 /nfs/dbraw/zinc/28/80/87/1070288087.db2.gz WAUKKDJHQFJIDV-CQSZACIVSA-N 1 2 415.537 -0.027 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000772179247 1070288215 /nfs/dbraw/zinc/28/82/15/1070288215.db2.gz GERYARPGCOMLGV-BETUJISGSA-N 1 2 407.493 -0.847 20 0 HBADLO C[C@@H]1CN(S(=O)(=O)N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)C[C@@H](C)O1 ZINC000772179248 1070287921 /nfs/dbraw/zinc/28/79/21/1070287921.db2.gz GERYARPGCOMLGV-CHWSQXEVSA-N 1 2 407.493 -0.847 20 0 HBADLO C[C@H]1CN(S(=O)(=O)N2CC[NH+](CCCOC(=O)NC(N)=O)CC2)C[C@H](C)O1 ZINC000772179249 1070287991 /nfs/dbraw/zinc/28/79/91/1070287991.db2.gz GERYARPGCOMLGV-STQMWFEESA-N 1 2 407.493 -0.847 20 0 HBADLO Cc1c[nH]cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1=O ZINC000772255523 1070290952 /nfs/dbraw/zinc/29/09/52/1070290952.db2.gz KTKGDQGLQGPFFU-UHFFFAOYSA-N 1 2 411.422 -0.134 20 0 HBADLO COc1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)on1 ZINC000772327509 1070293617 /nfs/dbraw/zinc/29/36/17/1070293617.db2.gz KJEPZXBIYYHWRQ-UHFFFAOYSA-N 1 2 401.383 -0.135 20 0 HBADLO Cn1cc(S(=O)(=O)NCC[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cn1 ZINC000772350695 1070292666 /nfs/dbraw/zinc/29/26/66/1070292666.db2.gz HCOCBUNPBVZWOG-UHFFFAOYSA-N 1 2 408.484 -0.264 20 0 HBADLO CN1CC[C@@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000772510210 1070297329 /nfs/dbraw/zinc/29/73/29/1070297329.db2.gz KTOKUTOWCFSYEX-GFCCVEGCSA-N 1 2 401.427 -0.967 20 0 HBADLO CN1CC[C@H](C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000772510225 1070297348 /nfs/dbraw/zinc/29/73/48/1070297348.db2.gz KTOKUTOWCFSYEX-LBPRGKRZSA-N 1 2 401.427 -0.967 20 0 HBADLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000772573720 1070298505 /nfs/dbraw/zinc/29/85/05/1070298505.db2.gz RKXPLUKSYCPFMW-HKUYNNGSSA-N 1 2 419.526 -0.127 20 0 HBADLO Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000772573724 1070298467 /nfs/dbraw/zinc/29/84/67/1070298467.db2.gz RKXPLUKSYCPFMW-IEBWSBKVSA-N 1 2 419.526 -0.127 20 0 HBADLO Cn1ccnc1[C@@H](O)C1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000772573728 1070298637 /nfs/dbraw/zinc/29/86/37/1070298637.db2.gz RKXPLUKSYCPFMW-MJGOQNOKSA-N 1 2 419.526 -0.127 20 0 HBADLO Cn1ccnc1[C@H](O)C1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000772573731 1070298683 /nfs/dbraw/zinc/29/86/83/1070298683.db2.gz RKXPLUKSYCPFMW-PKOBYXMFSA-N 1 2 419.526 -0.127 20 0 HBADLO COc1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)nn1C ZINC000772634731 1070299489 /nfs/dbraw/zinc/29/94/89/1070299489.db2.gz NZVHINJQCGTUTH-UHFFFAOYSA-N 1 2 414.426 -0.389 20 0 HBADLO CC(C)[C@@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)N1CCCS1(=O)=O ZINC000772693511 1070353931 /nfs/dbraw/zinc/35/39/31/1070353931.db2.gz NAYHMLFKRVKLAF-HNNXBMFYSA-N 1 2 409.574 -0.328 20 0 HBADLO CC(C)[C@H](C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)N1CCCS1(=O)=O ZINC000772693512 1070354048 /nfs/dbraw/zinc/35/40/48/1070354048.db2.gz NAYHMLFKRVKLAF-OAHLLOKOSA-N 1 2 409.574 -0.328 20 0 HBADLO NC(=O)c1ccsc1NC(=O)CC[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000772747486 1070454995 /nfs/dbraw/zinc/45/49/95/1070454995.db2.gz NTVIBRYCVZVCKN-UHFFFAOYSA-N 1 2 421.479 -0.531 20 0 HBADLO Cn1nccc1CCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000772772576 1070494074 /nfs/dbraw/zinc/49/40/74/1070494074.db2.gz XRNXHFUSTBHIGS-UHFFFAOYSA-N 1 2 412.454 -0.079 20 0 HBADLO CCOCCONC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000773218396 1071156379 /nfs/dbraw/zinc/15/63/79/1071156379.db2.gz FOJVTWWMLSHZKS-UHFFFAOYSA-N 1 2 401.489 -0.199 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NOC1CCOCC1 ZINC000773219209 1071156168 /nfs/dbraw/zinc/15/61/68/1071156168.db2.gz LRZQGRTWJULWKB-UHFFFAOYSA-N 1 2 413.500 -0.057 20 0 HBADLO CS(=O)(=O)N(c1ccc(OCCNC(=O)Cn2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000773644729 1071255930 /nfs/dbraw/zinc/25/59/30/1071255930.db2.gz IDEFORLLCCLTQK-UHFFFAOYSA-N 1 2 416.481 -0.196 20 0 HBADLO CNC(=O)C[NH+]1CCC(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 ZINC000773775835 1071302081 /nfs/dbraw/zinc/30/20/81/1071302081.db2.gz GQVFSZLTNKPGPX-UHFFFAOYSA-N 1 2 403.414 -0.186 20 0 HBADLO C[C@@H](O)c1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000773776714 1071303282 /nfs/dbraw/zinc/30/32/82/1071303282.db2.gz JFMBNUHJWIEORW-GFCCVEGCSA-N 1 2 403.530 -0.554 20 0 HBADLO C[C@H](O)c1ncc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000773776743 1071303118 /nfs/dbraw/zinc/30/31/18/1071303118.db2.gz JFMBNUHJWIEORW-LBPRGKRZSA-N 1 2 403.530 -0.554 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CO)(OC)CC3)C2=O)cc1 ZINC000773936422 1071379449 /nfs/dbraw/zinc/37/94/49/1071379449.db2.gz XMZRYHZBUXGENY-IBGZPJMESA-N 1 2 420.466 -0.033 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CO)(OC)CC3)C2=O)cc1 ZINC000773936423 1071379169 /nfs/dbraw/zinc/37/91/69/1071379169.db2.gz XMZRYHZBUXGENY-LJQANCHMSA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CO)(OC)CC3)C2=O)c1 ZINC000773945830 1071381819 /nfs/dbraw/zinc/38/18/19/1071381819.db2.gz PXSLLCRHSOYZNT-IBGZPJMESA-N 1 2 420.466 -0.033 20 0 HBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[NH+]3CCC(CO)(OC)CC3)C2=O)c1 ZINC000773945831 1071381686 /nfs/dbraw/zinc/38/16/86/1071381686.db2.gz PXSLLCRHSOYZNT-LJQANCHMSA-N 1 2 420.466 -0.033 20 0 HBADLO Cn1nc(C(=O)N2CCN(CCOC(=O)C[N@@H+](C)[C@H]3CCSC3)CC2)ccc1=O ZINC000774046319 1071397664 /nfs/dbraw/zinc/39/76/64/1071397664.db2.gz AAECESVMMPIYPK-HNNXBMFYSA-N 1 2 423.539 -0.481 20 0 HBADLO Cn1nc(C(=O)N2CCN(CCOC(=O)C[N@H+](C)[C@H]3CCSC3)CC2)ccc1=O ZINC000774046319 1071397650 /nfs/dbraw/zinc/39/76/50/1071397650.db2.gz AAECESVMMPIYPK-HNNXBMFYSA-N 1 2 423.539 -0.481 20 0 HBADLO Cn1nc(C(=O)N2CCN(CCOC(=O)C[N@@H+](C)[C@@H]3CCSC3)CC2)ccc1=O ZINC000774046322 1071397873 /nfs/dbraw/zinc/39/78/73/1071397873.db2.gz AAECESVMMPIYPK-OAHLLOKOSA-N 1 2 423.539 -0.481 20 0 HBADLO Cn1nc(C(=O)N2CCN(CCOC(=O)C[N@H+](C)[C@@H]3CCSC3)CC2)ccc1=O ZINC000774046322 1071397866 /nfs/dbraw/zinc/39/78/66/1071397866.db2.gz AAECESVMMPIYPK-OAHLLOKOSA-N 1 2 423.539 -0.481 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC(C2OCCO2)CC1 ZINC000774365837 1071409489 /nfs/dbraw/zinc/40/94/89/1071409489.db2.gz CNKQPKFNFALUOQ-UHFFFAOYSA-N 1 2 407.471 -0.235 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC(C2OCCO2)CC1 ZINC000774366330 1071409507 /nfs/dbraw/zinc/40/95/07/1071409507.db2.gz IHALRAXCGXVMIG-UHFFFAOYSA-N 1 2 407.471 -0.235 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000774382729 1071410325 /nfs/dbraw/zinc/41/03/25/1071410325.db2.gz NINXYIDGTONXCG-HNNXBMFYSA-N 1 2 407.471 -0.235 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000774382735 1071410462 /nfs/dbraw/zinc/41/04/62/1071410462.db2.gz NINXYIDGTONXCG-OAHLLOKOSA-N 1 2 407.471 -0.235 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC3(C2)OCCO3)CC1 ZINC000774383035 1071410354 /nfs/dbraw/zinc/41/03/54/1071410354.db2.gz IXLBANVXHSGWLU-UHFFFAOYSA-N 1 2 402.451 -0.012 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@H](C2OCCO2)C1 ZINC000774383544 1071410240 /nfs/dbraw/zinc/41/02/40/1071410240.db2.gz SSYDUCLSFVGYEU-HNNXBMFYSA-N 1 2 407.471 -0.235 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000774383545 1071410415 /nfs/dbraw/zinc/41/04/15/1071410415.db2.gz SSYDUCLSFVGYEU-OAHLLOKOSA-N 1 2 407.471 -0.235 20 0 HBADLO CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000774390610 1071411483 /nfs/dbraw/zinc/41/14/83/1071411483.db2.gz MWULIQAEYISSQL-UHFFFAOYSA-N 1 2 422.486 -0.111 20 0 HBADLO CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000774393687 1071411535 /nfs/dbraw/zinc/41/15/35/1071411535.db2.gz ZSWMONWODNIFLW-UHFFFAOYSA-N 1 2 422.486 -0.111 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000774414457 1071413975 /nfs/dbraw/zinc/41/39/75/1071413975.db2.gz QPTWMVQEPNKVGO-UHFFFAOYSA-N 1 2 411.480 -0.343 20 0 HBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000774468154 1071416768 /nfs/dbraw/zinc/41/67/68/1071416768.db2.gz IJUAWGUCTVKYJP-UHFFFAOYSA-N 1 2 422.486 -0.415 20 0 HBADLO O=C(NCCCn1cc[nH+]c1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000774469188 1071416800 /nfs/dbraw/zinc/41/68/00/1071416800.db2.gz KKGZXQQJDRSZPO-UHFFFAOYSA-N 1 2 411.406 -0.180 20 0 HBADLO NC(=O)c1cc(OC2CCN(C(=O)C(=O)NCCCn3cc[nH+]c3)CC2)ccn1 ZINC000774474638 1071417530 /nfs/dbraw/zinc/41/75/30/1071417530.db2.gz 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CCCCCCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000774509154 1071420465 /nfs/dbraw/zinc/42/04/65/1071420465.db2.gz LBGGBLRKRXDKBS-UHFFFAOYSA-N 1 2 403.549 -0.681 20 0 HBADLO COc1ccc(CCNC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000774535500 1071427796 /nfs/dbraw/zinc/42/77/96/1071427796.db2.gz BGPHTKGYGPRVBY-UHFFFAOYSA-N 1 2 411.524 -0.021 20 0 HBADLO CCCCC[C@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000774612320 1071456658 /nfs/dbraw/zinc/45/66/58/1071456658.db2.gz NGSGTLLIGGJWDL-INIZCTEOSA-N 1 2 417.576 -0.292 20 0 HBADLO CCCCC[C@@H](C)NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000774612323 1071456634 /nfs/dbraw/zinc/45/66/34/1071456634.db2.gz NGSGTLLIGGJWDL-MRXNPFEDSA-N 1 2 417.576 -0.292 20 0 HBADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774855415 1071511279 /nfs/dbraw/zinc/51/12/79/1071511279.db2.gz CRLHWHHMVPUMBC-KRWDZBQOSA-N 1 2 411.524 -0.103 20 0 HBADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774855415 1071511271 /nfs/dbraw/zinc/51/12/71/1071511271.db2.gz CRLHWHHMVPUMBC-KRWDZBQOSA-N 1 2 411.524 -0.103 20 0 HBADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000774856117 1071512313 /nfs/dbraw/zinc/51/23/13/1071512313.db2.gz CRLHWHHMVPUMBC-QGZVFWFLSA-N 1 2 411.524 -0.103 20 0 HBADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000774856117 1071512307 /nfs/dbraw/zinc/51/23/07/1071512307.db2.gz CRLHWHHMVPUMBC-QGZVFWFLSA-N 1 2 411.524 -0.103 20 0 HBADLO CCN1CCOC[C@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000775007356 1071548361 /nfs/dbraw/zinc/54/83/61/1071548361.db2.gz IOWJUEIKLWRMKI-HNNXBMFYSA-N 1 2 417.470 -0.724 20 0 HBADLO CCN1CCOC[C@@H]1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000775007357 1071548423 /nfs/dbraw/zinc/54/84/23/1071548423.db2.gz IOWJUEIKLWRMKI-OAHLLOKOSA-N 1 2 417.470 -0.724 20 0 HBADLO CCOC(=O)N1CCC(NC(=O)C(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000775041210 1071564315 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CCS(=O)(=O)NCCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775416906 1071646813 /nfs/dbraw/zinc/64/68/13/1071646813.db2.gz SMCNIZFMDIYAFQ-ZDUSSCGKSA-N 1 2 407.537 -0.224 20 0 HBADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)CC1 ZINC000775429605 1071650339 /nfs/dbraw/zinc/65/03/39/1071650339.db2.gz XBNHFHZITNCYSP-UHFFFAOYSA-N 1 2 411.532 -0.536 20 0 HBADLO CCN(CC)S(=O)(=O)N1CCN(c2cc(N3CCN(C)C(=O)C3)nc[nH+]2)CC1 ZINC000775429605 1071650336 /nfs/dbraw/zinc/65/03/36/1071650336.db2.gz XBNHFHZITNCYSP-UHFFFAOYSA-N 1 2 411.532 -0.536 20 0 HBADLO CCNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775431708 1071649735 /nfs/dbraw/zinc/64/97/35/1071649735.db2.gz PXWNTRWCSVALJO-CYBMUJFWSA-N 1 2 407.537 -0.224 20 0 HBADLO CCNS(=O)(=O)CCNC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000775431708 1071649734 /nfs/dbraw/zinc/64/97/34/1071649734.db2.gz PXWNTRWCSVALJO-CYBMUJFWSA-N 1 2 407.537 -0.224 20 0 HBADLO CCNS(=O)(=O)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431710 1071649664 /nfs/dbraw/zinc/64/96/64/1071649664.db2.gz PXWNTRWCSVALJO-ZDUSSCGKSA-N 1 2 407.537 -0.224 20 0 HBADLO CCNS(=O)(=O)CCNC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000775431710 1071649660 /nfs/dbraw/zinc/64/96/60/1071649660.db2.gz PXWNTRWCSVALJO-ZDUSSCGKSA-N 1 2 407.537 -0.224 20 0 HBADLO C[N@H+]1CCN(C(=O)NCCCN2C(=O)CNC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775432034 1071649704 /nfs/dbraw/zinc/64/97/04/1071649704.db2.gz WZSWAIGAWZEHGG-CYBMUJFWSA-N 1 2 412.491 -0.221 20 0 HBADLO C[N@@H+]1CCN(C(=O)NCCCN2C(=O)CNC2=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775432034 1071649698 /nfs/dbraw/zinc/64/96/98/1071649698.db2.gz WZSWAIGAWZEHGG-CYBMUJFWSA-N 1 2 412.491 -0.221 20 0 HBADLO C[N@H+]1CCN(C(=O)NCCCN2C(=O)CNC2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775432035 1071649816 /nfs/dbraw/zinc/64/98/16/1071649816.db2.gz WZSWAIGAWZEHGG-ZDUSSCGKSA-N 1 2 412.491 -0.221 20 0 HBADLO C[N@@H+]1CCN(C(=O)NCCCN2C(=O)CNC2=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775432035 1071649814 /nfs/dbraw/zinc/64/98/14/1071649814.db2.gz WZSWAIGAWZEHGG-ZDUSSCGKSA-N 1 2 412.491 -0.221 20 0 HBADLO C[N@H+]1CCN(C(=O)NCCOCCS(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775436539 1071650183 /nfs/dbraw/zinc/65/01/83/1071650183.db2.gz HIVJXKXGSTZWCT-AWEZNQCLSA-N 1 2 422.548 -0.102 20 0 HBADLO C[N@@H+]1CCN(C(=O)NCCOCCS(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775436539 1071650179 /nfs/dbraw/zinc/65/01/79/1071650179.db2.gz HIVJXKXGSTZWCT-AWEZNQCLSA-N 1 2 422.548 -0.102 20 0 HBADLO C[N@H+]1CCN(C(=O)NCCOCCS(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775436540 1071650301 /nfs/dbraw/zinc/65/03/01/1071650301.db2.gz HIVJXKXGSTZWCT-CQSZACIVSA-N 1 2 422.548 -0.102 20 0 HBADLO C[N@@H+]1CCN(C(=O)NCCOCCS(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775436540 1071650299 /nfs/dbraw/zinc/65/02/99/1071650299.db2.gz HIVJXKXGSTZWCT-CQSZACIVSA-N 1 2 422.548 -0.102 20 0 HBADLO Cc1nc(NCCCN(C)S(C)(=O)=O)nc(NCCCN(C)S(C)(=O)=O)[nH+]1 ZINC000775445998 1071652981 /nfs/dbraw/zinc/65/29/81/1071652981.db2.gz 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C[C@H]1CN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCN1S(C)(=O)=O ZINC000776323929 1071801098 /nfs/dbraw/zinc/80/10/98/1071801098.db2.gz YIOVGAKFFBOHFV-ZDUSSCGKSA-N 1 2 410.562 -0.829 20 0 HBADLO C[C@H]1C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCN1S(C)(=O)=O ZINC000776607349 1071815842 /nfs/dbraw/zinc/81/58/42/1071815842.db2.gz XLCZVYDIEQQITJ-ZDUSSCGKSA-N 1 2 415.516 -0.372 20 0 HBADLO C[C@H]1C[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CCN1S(C)(=O)=O ZINC000776607349 1071815837 /nfs/dbraw/zinc/81/58/37/1071815837.db2.gz XLCZVYDIEQQITJ-ZDUSSCGKSA-N 1 2 415.516 -0.372 20 0 HBADLO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C(=O)C1 ZINC000776836825 1071832398 /nfs/dbraw/zinc/83/23/98/1071832398.db2.gz RHVGIBJFUHESHG-HNNXBMFYSA-N 1 2 423.514 -0.512 20 0 HBADLO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C(=O)C1 ZINC000776836825 1071832390 /nfs/dbraw/zinc/83/23/90/1071832390.db2.gz RHVGIBJFUHESHG-HNNXBMFYSA-N 1 2 423.514 -0.512 20 0 HBADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C(=O)C1 ZINC000776836827 1071832347 /nfs/dbraw/zinc/83/23/47/1071832347.db2.gz RHVGIBJFUHESHG-OAHLLOKOSA-N 1 2 423.514 -0.512 20 0 HBADLO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C(=O)C1 ZINC000776836827 1071832338 /nfs/dbraw/zinc/83/23/38/1071832338.db2.gz RHVGIBJFUHESHG-OAHLLOKOSA-N 1 2 423.514 -0.512 20 0 HBADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837058 1071832580 /nfs/dbraw/zinc/83/25/80/1071832580.db2.gz XIASHFYARHSPAT-AWEZNQCLSA-N 1 2 412.487 -0.181 20 0 HBADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837058 1071832570 /nfs/dbraw/zinc/83/25/70/1071832570.db2.gz XIASHFYARHSPAT-AWEZNQCLSA-N 1 2 412.487 -0.181 20 0 HBADLO COC(=O)CNC(=O)C[N@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837071 1071832233 /nfs/dbraw/zinc/83/22/33/1071832233.db2.gz XIASHFYARHSPAT-CQSZACIVSA-N 1 2 412.487 -0.181 20 0 HBADLO COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC000776837071 1071832222 /nfs/dbraw/zinc/83/22/22/1071832222.db2.gz XIASHFYARHSPAT-CQSZACIVSA-N 1 2 412.487 -0.181 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2nccn3ccnc23)CC1 ZINC000777094677 1071855007 /nfs/dbraw/zinc/85/50/07/1071855007.db2.gz ONFSUCYEMUQAKY-UHFFFAOYSA-N 1 2 421.421 -0.088 20 0 HBADLO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCCNC(=O)C3)cc2)CC1 ZINC000777249593 1071859320 /nfs/dbraw/zinc/85/93/20/1071859320.db2.gz MONACLRWHNXPMS-UHFFFAOYSA-N 1 2 401.467 -0.362 20 0 HBADLO CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000777254468 1071859352 /nfs/dbraw/zinc/85/93/52/1071859352.db2.gz JVUDFTMCYYQSRV-UHFFFAOYSA-N 1 2 424.523 -0.160 20 0 HBADLO COC(=O)N1CC(NC(=O)C(=O)Nc2ccc(C[NH+]3CCN(C(C)=O)CC3)cc2)C1 ZINC000777260647 1071859972 /nfs/dbraw/zinc/85/99/72/1071859972.db2.gz IZVYSHXPXDKEEX-UHFFFAOYSA-N 1 2 417.466 -0.144 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000784968079 1068331936 /nfs/dbraw/zinc/33/19/36/1068331936.db2.gz AKVLOGUXKBMGSB-INIZCTEOSA-N 1 2 406.439 -0.267 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000784968087 1068331780 /nfs/dbraw/zinc/33/17/80/1068331780.db2.gz AKVLOGUXKBMGSB-MRXNPFEDSA-N 1 2 406.439 -0.267 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccnc1Br ZINC000784968126 1068331361 /nfs/dbraw/zinc/33/13/61/1068331361.db2.gz AWMIHVBFMNDXON-LLVKDONJSA-N 1 2 401.261 -0.066 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccnc1Br ZINC000784968135 1068331407 /nfs/dbraw/zinc/33/14/07/1068331407.db2.gz AWMIHVBFMNDXON-NSHDSACASA-N 1 2 401.261 -0.066 20 0 HBADLO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000784969019 1068333624 /nfs/dbraw/zinc/33/36/24/1068333624.db2.gz CZPXCERJRRUEEV-KRWDZBQOSA-N 1 2 422.482 -0.025 20 0 HBADLO COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000784969021 1068333663 /nfs/dbraw/zinc/33/36/63/1068333663.db2.gz CZPXCERJRRUEEV-QGZVFWFLSA-N 1 2 422.482 -0.025 20 0 HBADLO COC(=O)NCc1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000784969072 1068334304 /nfs/dbraw/zinc/33/43/04/1068334304.db2.gz DNTVCJOYNLUAMM-INIZCTEOSA-N 1 2 408.455 -0.367 20 0 HBADLO COC(=O)NCc1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000784969074 1068334088 /nfs/dbraw/zinc/33/40/88/1068334088.db2.gz DNTVCJOYNLUAMM-MRXNPFEDSA-N 1 2 408.455 -0.367 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000784969238 1068333527 /nfs/dbraw/zinc/33/35/27/1068333527.db2.gz GCAAYLCJXYEPPB-KRWDZBQOSA-N 1 2 420.466 -0.271 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000784969240 1068333847 /nfs/dbraw/zinc/33/38/47/1068333847.db2.gz GCAAYLCJXYEPPB-QGZVFWFLSA-N 1 2 420.466 -0.271 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000784970045 1068334848 /nfs/dbraw/zinc/33/48/48/1068334848.db2.gz HMJAEYVQTXKQHL-GFCCVEGCSA-N 1 2 401.261 -0.066 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000784970049 1068334655 /nfs/dbraw/zinc/33/46/55/1068334655.db2.gz HMJAEYVQTXKQHL-LBPRGKRZSA-N 1 2 401.261 -0.066 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)ccc1N1CCOCC1 ZINC000784970103 1068334984 /nfs/dbraw/zinc/33/49/84/1068334984.db2.gz IGDFVDXKFVZQPN-GOSISDBHSA-N 1 2 420.510 -0.078 20 0 HBADLO Cc1cc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)ccc1N1CCOCC1 ZINC000784970104 1068335016 /nfs/dbraw/zinc/33/50/16/1068335016.db2.gz IGDFVDXKFVZQPN-SFHVURJKSA-N 1 2 420.510 -0.078 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CCOC1=O ZINC000784970113 1068334775 /nfs/dbraw/zinc/33/47/75/1068334775.db2.gz INWWWAWUSLAOLI-AWEZNQCLSA-N 1 2 406.439 -0.267 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccccc1N1CCOC1=O ZINC000784970114 1068334897 /nfs/dbraw/zinc/33/48/97/1068334897.db2.gz INWWWAWUSLAOLI-CQSZACIVSA-N 1 2 406.439 -0.267 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000784971119 1068335959 /nfs/dbraw/zinc/33/59/59/1068335959.db2.gz KYIBTMWETFUGKH-INIZCTEOSA-N 1 2 424.473 -0.248 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000784971121 1068335938 /nfs/dbraw/zinc/33/59/38/1068335938.db2.gz KYIBTMWETFUGKH-MRXNPFEDSA-N 1 2 424.473 -0.248 20 0 HBADLO CON(C)C(=O)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000784971145 1068335881 /nfs/dbraw/zinc/33/58/81/1068335881.db2.gz LEJFVSCBWIFWNR-INIZCTEOSA-N 1 2 408.455 -0.590 20 0 HBADLO CON(C)C(=O)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000784971147 1068336348 /nfs/dbraw/zinc/33/63/48/1068336348.db2.gz LEJFVSCBWIFWNR-MRXNPFEDSA-N 1 2 408.455 -0.590 20 0 HBADLO COC(=O)N(C)c1ccc(NC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000784972139 1068336242 /nfs/dbraw/zinc/33/62/42/1068336242.db2.gz NRLJBLSATIVNER-INIZCTEOSA-N 1 2 408.455 -0.021 20 0 HBADLO COC(=O)N(C)c1ccc(NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000784972141 1068336089 /nfs/dbraw/zinc/33/60/89/1068336089.db2.gz NRLJBLSATIVNER-MRXNPFEDSA-N 1 2 408.455 -0.021 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000784972280 1068336141 /nfs/dbraw/zinc/33/61/41/1068336141.db2.gz PTBUAJAJBFLHGQ-INIZCTEOSA-N 1 2 406.439 -0.267 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000784972282 1068336205 /nfs/dbraw/zinc/33/62/05/1068336205.db2.gz PTBUAJAJBFLHGQ-MRXNPFEDSA-N 1 2 406.439 -0.267 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000784972829 1068337257 /nfs/dbraw/zinc/33/72/57/1068337257.db2.gz RDGHGUQRUQNISI-GOSISDBHSA-N 1 2 406.483 -0.387 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000784972830 1068337221 /nfs/dbraw/zinc/33/72/21/1068337221.db2.gz RDGHGUQRUQNISI-SFHVURJKSA-N 1 2 406.483 -0.387 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000784974096 1068337578 /nfs/dbraw/zinc/33/75/78/1068337578.db2.gz YAMFNELUHKLCSX-KRWDZBQOSA-N 1 2 420.466 -0.271 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000784974097 1068337741 /nfs/dbraw/zinc/33/77/41/1068337741.db2.gz YAMFNELUHKLCSX-QGZVFWFLSA-N 1 2 420.466 -0.271 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCCCC12OCCO2 ZINC000785054098 1068504505 /nfs/dbraw/zinc/50/45/05/1068504505.db2.gz UBKNMUNMPIYINW-INIZCTEOSA-N 1 2 407.471 -0.044 20 0 HBADLO O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCCCC12OCCO2 ZINC000785054099 1068504962 /nfs/dbraw/zinc/50/49/62/1068504962.db2.gz UBKNMUNMPIYINW-MRXNPFEDSA-N 1 2 407.471 -0.044 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@H]1CCCCC12OCCO2 ZINC000785056359 1068506201 /nfs/dbraw/zinc/50/62/01/1068506201.db2.gz OOURVFGVTBYZQS-HNNXBMFYSA-N 1 2 407.471 -0.044 20 0 HBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)C(=O)N[C@@H]1CCCCC12OCCO2 ZINC000785056360 1068506051 /nfs/dbraw/zinc/50/60/51/1068506051.db2.gz OOURVFGVTBYZQS-OAHLLOKOSA-N 1 2 407.471 -0.044 20 0 HBADLO COC(CN(CCCO)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)OC ZINC000785073811 1068535726 /nfs/dbraw/zinc/53/57/26/1068535726.db2.gz LSGYXTSNVGGHFG-UHFFFAOYSA-N 1 2 410.471 -0.005 20 0 HBADLO CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000785101516 1068612833 /nfs/dbraw/zinc/61/28/33/1068612833.db2.gz DHSKPLUDLCFCHA-UHFFFAOYSA-N 1 2 424.523 -0.094 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)[C@H](C)C1 ZINC000785217062 1068923678 /nfs/dbraw/zinc/92/36/78/1068923678.db2.gz MQXANQOQOYHKOT-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)[C@H](C)C1 ZINC000785217062 1068923672 /nfs/dbraw/zinc/92/36/72/1068923672.db2.gz MQXANQOQOYHKOT-CYBMUJFWSA-N 1 2 401.427 -0.303 20 0 HBADLO COC(=O)CC[N@H+]1CCN(C(=O)C(=O)Nc2ccc(-n3nccn3)nc2)[C@@H](C)C1 ZINC000785217065 1068923643 /nfs/dbraw/zinc/92/36/43/1068923643.db2.gz MQXANQOQOYHKOT-ZDUSSCGKSA-N 1 2 401.427 -0.303 20 0 HBADLO 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Cn1c2[nH]c(COC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)nc2c(=O)n(C)c1=O ZINC000785335900 1069241999 /nfs/dbraw/zinc/24/19/99/1069241999.db2.gz CKGNELAPLPKOBY-CQSZACIVSA-N 1 2 413.434 -0.096 20 0 HBADLO CCn1c(CNC(=O)C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)nc2ccccc21 ZINC000785480593 1069571527 /nfs/dbraw/zinc/57/15/27/1069571527.db2.gz ZFSDLOUPKDPACI-HNNXBMFYSA-N 1 2 403.483 -0.176 20 0 HBADLO CCn1c(CNC(=O)C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)nc2ccccc21 ZINC000785480598 1069571420 /nfs/dbraw/zinc/57/14/20/1069571420.db2.gz ZFSDLOUPKDPACI-OAHLLOKOSA-N 1 2 403.483 -0.176 20 0 HBADLO CN(CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000785620719 1070306028 /nfs/dbraw/zinc/30/60/28/1070306028.db2.gz CLGSICLOACZDTG-UHFFFAOYSA-N 1 2 410.540 -0.136 20 0 HBADLO Cc1cc(N2CC[C@H](OC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)n(C)n1 ZINC000785651510 1070303787 /nfs/dbraw/zinc/30/37/87/1070303787.db2.gz IJILVYKMPXAZPO-CVEARBPZSA-N 1 2 419.482 -0.442 20 0 HBADLO 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CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)n1 ZINC000787560222 1070373040 /nfs/dbraw/zinc/37/30/40/1070373040.db2.gz SHLJIGWKNREDAU-AWEZNQCLSA-N 1 2 415.516 -0.910 20 0 HBADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)n1 ZINC000787560223 1070372844 /nfs/dbraw/zinc/37/28/44/1070372844.db2.gz SHLJIGWKNREDAU-CQSZACIVSA-N 1 2 415.516 -0.910 20 0 HBADLO CCS(=O)(=O)CCn1cc(C)c(NC(=O)C(=O)N2CC[N@H+](CCO)[C@H](C)C2)n1 ZINC000787560223 1070372832 /nfs/dbraw/zinc/37/28/32/1070372832.db2.gz SHLJIGWKNREDAU-CQSZACIVSA-N 1 2 415.516 -0.910 20 0 HBADLO Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000787568981 1070373642 /nfs/dbraw/zinc/37/36/42/1070373642.db2.gz IDFJIYUEIUEGPD-INIZCTEOSA-N 1 2 419.482 -0.385 20 0 HBADLO Cc1ccc(N2CCNC2=O)cc1NC(=O)C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000787568990 1070373542 /nfs/dbraw/zinc/37/35/42/1070373542.db2.gz IDFJIYUEIUEGPD-MRXNPFEDSA-N 1 2 419.482 -0.385 20 0 HBADLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000787730924 1070381475 /nfs/dbraw/zinc/38/14/75/1070381475.db2.gz PAEZFCYXYCLPFM-PBHICJAKSA-N 1 2 406.549 -0.347 20 0 HBADLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000787730927 1070381686 /nfs/dbraw/zinc/38/16/86/1070381686.db2.gz PAEZFCYXYCLPFM-RHSMWYFYSA-N 1 2 406.549 -0.347 20 0 HBADLO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000787730929 1070381407 /nfs/dbraw/zinc/38/14/07/1070381407.db2.gz PAEZFCYXYCLPFM-WMLDXEAASA-N 1 2 406.549 -0.347 20 0 HBADLO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(CCS(N)(=O)=O)CC2)C1 ZINC000787730930 1070381431 /nfs/dbraw/zinc/38/14/31/1070381431.db2.gz PAEZFCYXYCLPFM-YOEHRIQHSA-N 1 2 406.549 -0.347 20 0 HBADLO O=C(NCc1cnc(N2CCOCC2)s1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000787752687 1070380540 /nfs/dbraw/zinc/38/05/40/1070380540.db2.gz BADVPRORYLSYNS-HNNXBMFYSA-N 1 2 423.539 -0.223 20 0 HBADLO O=C(NCc1cnc(N2CCOCC2)s1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000787752688 1070380325 /nfs/dbraw/zinc/38/03/25/1070380325.db2.gz BADVPRORYLSYNS-OAHLLOKOSA-N 1 2 423.539 -0.223 20 0 HBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC(CO)CO)cc2Br)CC1 ZINC000787893788 1070386230 /nfs/dbraw/zinc/38/62/30/1070386230.db2.gz STBXVGNOZIRMQK-UHFFFAOYSA-N 1 2 415.288 -0.391 20 0 HBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)CO)cc2Br)CC1 ZINC000787896085 1070389322 /nfs/dbraw/zinc/38/93/22/1070389322.db2.gz KMGCHECEYOEDGJ-GFCCVEGCSA-N 1 2 415.288 -0.391 20 0 HBADLO C[NH+]1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)CO)cc2Br)CC1 ZINC000787896087 1070389617 /nfs/dbraw/zinc/38/96/17/1070389617.db2.gz KMGCHECEYOEDGJ-LBPRGKRZSA-N 1 2 415.288 -0.391 20 0 HBADLO Cn1c2ncn(CC[N@H+]3CCn4c(Br)cnc4C3)c2c(=O)n(C)c1=O ZINC000787996903 1070392069 /nfs/dbraw/zinc/39/20/69/1070392069.db2.gz BKFUOMOWXYSPLW-UHFFFAOYSA-N 1 2 408.260 -0.092 20 0 HBADLO Cn1c2ncn(CC[N@@H+]3CCn4c(Br)cnc4C3)c2c(=O)n(C)c1=O ZINC000787996903 1070392053 /nfs/dbraw/zinc/39/20/53/1070392053.db2.gz BKFUOMOWXYSPLW-UHFFFAOYSA-N 1 2 408.260 -0.092 20 0 HBADLO Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH2+]C2(CO)COC(C)(C)OC2)c1C ZINC000787998718 1070392734 /nfs/dbraw/zinc/39/27/34/1070392734.db2.gz IFDASSSXYAIQQW-UHFFFAOYSA-N 1 2 401.485 -0.007 20 0 HBADLO C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000788026957 1070395147 /nfs/dbraw/zinc/39/51/47/1070395147.db2.gz XDZYULOTZHQPMJ-HNNXBMFYSA-N 1 2 405.474 -0.247 20 0 HBADLO C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000788026959 1070395201 /nfs/dbraw/zinc/39/52/01/1070395201.db2.gz XDZYULOTZHQPMJ-OAHLLOKOSA-N 1 2 405.474 -0.247 20 0 HBADLO O=C(NCCC1CCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000788050231 1070396451 /nfs/dbraw/zinc/39/64/51/1070396451.db2.gz SFKIPAKCKZAGQZ-UHFFFAOYSA-N 1 2 423.539 -0.044 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NOC[C@H]1CCOC1 ZINC000788095615 1070398986 /nfs/dbraw/zinc/39/89/86/1070398986.db2.gz 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20 0 HBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000788156270 1070404765 /nfs/dbraw/zinc/40/47/65/1070404765.db2.gz NWSOULBEDUWRSH-AAEUAGOBSA-N 1 2 412.472 -0.742 20 0 HBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000788156275 1070404688 /nfs/dbraw/zinc/40/46/88/1070404688.db2.gz NWSOULBEDUWRSH-DGCLKSJQSA-N 1 2 412.472 -0.742 20 0 HBADLO COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000788156277 1070404744 /nfs/dbraw/zinc/40/47/44/1070404744.db2.gz NWSOULBEDUWRSH-WCQYABFASA-N 1 2 412.472 -0.742 20 0 HBADLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C ZINC000788156279 1070404793 /nfs/dbraw/zinc/40/47/93/1070404793.db2.gz NWSOULBEDUWRSH-YPMHNXCESA-N 1 2 412.472 -0.742 20 0 HBADLO CC(=O)N1CC(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000788160898 1070404732 /nfs/dbraw/zinc/40/47/32/1070404732.db2.gz DFRQWDIKRPMZNJ-UHFFFAOYSA-N 1 2 401.427 -0.967 20 0 HBADLO 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CS(=O)(=O)CCNC(=O)C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000788386337 1070412490 /nfs/dbraw/zinc/41/24/90/1070412490.db2.gz WNPUEYWASCVUPK-UHFFFAOYSA-N 1 2 413.496 -0.825 20 0 HBADLO CS(=O)(=O)CCNC(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000788389507 1070413120 /nfs/dbraw/zinc/41/31/20/1070413120.db2.gz DMIHGPDCNFIBTA-UHFFFAOYSA-N 1 2 413.496 -0.825 20 0 HBADLO C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393932 1070410918 /nfs/dbraw/zinc/41/09/18/1070410918.db2.gz YBRLQIUPJWPUCN-CABCVRRESA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393932 1070410912 /nfs/dbraw/zinc/41/09/12/1070410912.db2.gz YBRLQIUPJWPUCN-CABCVRRESA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393934 1070410804 /nfs/dbraw/zinc/41/08/04/1070410804.db2.gz YBRLQIUPJWPUCN-GJZGRUSLSA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393934 1070410796 /nfs/dbraw/zinc/41/07/96/1070410796.db2.gz YBRLQIUPJWPUCN-GJZGRUSLSA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393937 1070410679 /nfs/dbraw/zinc/41/06/79/1070410679.db2.gz YBRLQIUPJWPUCN-HUUCEWRRSA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@@H+]1CCO[C@@H]([C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393937 1070410673 /nfs/dbraw/zinc/41/06/73/1070410673.db2.gz YBRLQIUPJWPUCN-HUUCEWRRSA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393940 1070410699 /nfs/dbraw/zinc/41/06/99/1070410699.db2.gz YBRLQIUPJWPUCN-LSDHHAIUSA-N 1 2 417.915 -0.011 20 0 HBADLO C[N@@H+]1CCO[C@H]([C@H](NC(=O)C(=O)NCCS(C)(=O)=O)c2ccc(Cl)cc2)C1 ZINC000788393940 1070410695 /nfs/dbraw/zinc/41/06/95/1070410695.db2.gz YBRLQIUPJWPUCN-LSDHHAIUSA-N 1 2 417.915 -0.011 20 0 HBADLO 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XDEFNURLUVWDAJ-ZDUSSCGKSA-N 1 2 412.487 -0.182 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804754177 1070569659 /nfs/dbraw/zinc/56/96/59/1070569659.db2.gz DIJWEBHXMGLSQO-HNNXBMFYSA-N 1 2 414.503 -0.879 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000804754179 1070569685 /nfs/dbraw/zinc/56/96/85/1070569685.db2.gz DIJWEBHXMGLSQO-OAHLLOKOSA-N 1 2 414.503 -0.879 20 0 HBADLO CNS(=O)(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761160 1070572075 /nfs/dbraw/zinc/57/20/75/1070572075.db2.gz XNFMXNKQHUPECO-CYBMUJFWSA-N 1 2 405.521 -0.806 20 0 HBADLO CNS(=O)(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761161 1070572609 /nfs/dbraw/zinc/57/26/09/1070572609.db2.gz XNFMXNKQHUPECO-ZDUSSCGKSA-N 1 2 405.521 -0.806 20 0 HBADLO CN1CCN(CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1=O ZINC000804761462 1070572188 /nfs/dbraw/zinc/57/21/88/1070572188.db2.gz GONSIEHBJJAAED-INIZCTEOSA-N 1 2 409.531 -0.086 20 0 HBADLO CN1CCN(CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1=O ZINC000804761463 1070571869 /nfs/dbraw/zinc/57/18/69/1070571869.db2.gz GONSIEHBJJAAED-MRXNPFEDSA-N 1 2 409.531 -0.086 20 0 HBADLO CC(=O)N[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(N)=O ZINC000804761645 1070571806 /nfs/dbraw/zinc/57/18/06/1070571806.db2.gz KSPJHZDBVCNMOV-CABCVRRESA-N 1 2 411.503 -0.480 20 0 HBADLO CC(=O)N[C@@H](CC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1)C(N)=O ZINC000804761646 1070571899 /nfs/dbraw/zinc/57/18/99/1070571899.db2.gz KSPJHZDBVCNMOV-GJZGRUSLSA-N 1 2 411.503 -0.480 20 0 HBADLO CC(=O)NCC(=O)NCC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761948 1070572736 /nfs/dbraw/zinc/57/27/36/1070572736.db2.gz CNKOCQDYJLFWQJ-HNNXBMFYSA-N 1 2 411.503 -0.608 20 0 HBADLO CC(=O)NCC(=O)NCC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804761952 1070572694 /nfs/dbraw/zinc/57/26/94/1070572694.db2.gz CNKOCQDYJLFWQJ-OAHLLOKOSA-N 1 2 411.503 -0.608 20 0 HBADLO CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O ZINC000804762885 1070572532 /nfs/dbraw/zinc/57/25/32/1070572532.db2.gz MGAPSVVCSSDKJD-CYBMUJFWSA-N 1 2 423.470 -0.439 20 0 HBADLO CN1C(=O)C(=O)N(CC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O ZINC000804762889 1070572666 /nfs/dbraw/zinc/57/26/66/1070572666.db2.gz MGAPSVVCSSDKJD-ZDUSSCGKSA-N 1 2 423.470 -0.439 20 0 HBADLO CC(C)(C)OC(=O)CCNC(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000804904263 1070576556 /nfs/dbraw/zinc/57/65/56/1070576556.db2.gz YBFQIDXTVCOXTL-UHFFFAOYSA-N 1 2 405.517 -0.540 20 0 HBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC000804905595 1070576526 /nfs/dbraw/zinc/57/65/26/1070576526.db2.gz ZKQXEXXTLVUNAP-AWEZNQCLSA-N 1 2 419.548 -0.128 20 0 HBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCNS(C)(=O)=O)C2)CC1 ZINC000804905596 1070576890 /nfs/dbraw/zinc/57/68/90/1070576890.db2.gz ZKQXEXXTLVUNAP-CQSZACIVSA-N 1 2 419.548 -0.128 20 0 HBADLO CC(C)(CNC(=O)CN1C(=O)NC2(CCC3(CC2)OCCO3)C1=O)[NH+]1CCOCC1 ZINC000804911192 1070576173 /nfs/dbraw/zinc/57/61/73/1070576173.db2.gz KOMBQICPQZARPO-UHFFFAOYSA-N 1 2 424.498 -0.179 20 0 HBADLO Cn1ncc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000804958501 1070579330 /nfs/dbraw/zinc/57/93/30/1070579330.db2.gz ZOBCGSHFHIFBTH-UHFFFAOYSA-N 1 2 408.488 -0.839 20 0 HBADLO CC(=O)OCCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000805009464 1070585301 /nfs/dbraw/zinc/58/53/01/1070585301.db2.gz RLUXPICDHQZAFP-UHFFFAOYSA-N 1 2 413.500 -0.282 20 0 HBADLO CC(=O)OCCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000805009464 1070585287 /nfs/dbraw/zinc/58/52/87/1070585287.db2.gz RLUXPICDHQZAFP-UHFFFAOYSA-N 1 2 413.500 -0.282 20 0 HBADLO CN1CC(=O)N(CC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC000805050110 1070586529 /nfs/dbraw/zinc/58/65/29/1070586529.db2.gz UJKKBROLUJBFBL-UHFFFAOYSA-N 1 2 418.450 -0.428 20 0 HBADLO CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CCC[NH+]2CCOCC2)(C(N)=O)C1 ZINC000805078337 1070590491 /nfs/dbraw/zinc/59/04/91/1070590491.db2.gz VPFSEZPSGKPEDF-UHFFFAOYSA-N 1 2 406.505 -0.897 20 0 HBADLO CCS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[C@H](C)C1 ZINC000805096984 1070589382 /nfs/dbraw/zinc/58/93/82/1070589382.db2.gz AYNBLUGWVMYGSY-CQSZACIVSA-N 1 2 424.589 -0.439 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000805097440 1070589396 /nfs/dbraw/zinc/58/93/96/1070589396.db2.gz HDLAYRGGPUHXFM-HNNXBMFYSA-N 1 2 424.589 -0.391 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)CC1 ZINC000805097442 1070589232 /nfs/dbraw/zinc/58/92/32/1070589232.db2.gz HDLAYRGGPUHXFM-OAHLLOKOSA-N 1 2 424.589 -0.391 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1 ZINC000805098347 1070589313 /nfs/dbraw/zinc/58/93/13/1070589313.db2.gz SIUQZXACOUHUED-UHFFFAOYSA-N 1 2 414.450 -0.089 20 0 HBADLO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805098837 1070589343 /nfs/dbraw/zinc/58/93/43/1070589343.db2.gz XXZVOFRIZNDPGK-HNNXBMFYSA-N 1 2 424.589 -0.439 20 0 HBADLO CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805098838 1070589259 /nfs/dbraw/zinc/58/92/59/1070589259.db2.gz XXZVOFRIZNDPGK-OAHLLOKOSA-N 1 2 424.589 -0.439 20 0 HBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC000805110820 1070589196 /nfs/dbraw/zinc/58/91/96/1070589196.db2.gz KJEMCBPZEPHUDK-AWEZNQCLSA-N 1 2 424.502 -0.125 20 0 HBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)NCCN3C(=O)CNC3=O)C2)CC1 ZINC000805110821 1070589360 /nfs/dbraw/zinc/58/93/60/1070589360.db2.gz KJEMCBPZEPHUDK-CQSZACIVSA-N 1 2 424.502 -0.125 20 0 HBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000805137404 1070592344 /nfs/dbraw/zinc/59/23/44/1070592344.db2.gz OSFJUKPMVQLGCT-AWEZNQCLSA-N 1 2 405.517 -0.141 20 0 HBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000805137404 1070592331 /nfs/dbraw/zinc/59/23/31/1070592331.db2.gz OSFJUKPMVQLGCT-AWEZNQCLSA-N 1 2 405.517 -0.141 20 0 HBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000805137405 1070592228 /nfs/dbraw/zinc/59/22/28/1070592228.db2.gz OSFJUKPMVQLGCT-CQSZACIVSA-N 1 2 405.517 -0.141 20 0 HBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000805137405 1070592218 /nfs/dbraw/zinc/59/22/18/1070592218.db2.gz OSFJUKPMVQLGCT-CQSZACIVSA-N 1 2 405.517 -0.141 20 0 HBADLO CNS(=O)(=O)CCNC(=O)N1CC[C@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805324117 1070595315 /nfs/dbraw/zinc/59/53/15/1070595315.db2.gz WZFJBJVCPQDLKD-AWEZNQCLSA-N 1 2 419.548 -0.128 20 0 HBADLO CNS(=O)(=O)CCNC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000805324118 1070595036 /nfs/dbraw/zinc/59/50/36/1070595036.db2.gz WZFJBJVCPQDLKD-CQSZACIVSA-N 1 2 419.548 -0.128 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccc(O)cc3C2)CC1 ZINC000805375044 1070597142 /nfs/dbraw/zinc/59/71/42/1070597142.db2.gz XKYVQMKRKRWIBH-UHFFFAOYSA-N 1 2 409.508 -0.098 20 0 HBADLO CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375917 1070597009 /nfs/dbraw/zinc/59/70/09/1070597009.db2.gz ZKGFIGCIFVZJHH-HNNXBMFYSA-N 1 2 416.544 -0.919 20 0 HBADLO CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805375918 1070597233 /nfs/dbraw/zinc/59/72/33/1070597233.db2.gz ZKGFIGCIFVZJHH-OAHLLOKOSA-N 1 2 416.544 -0.919 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC(F)F)CC2)CC1 ZINC000805376361 1070597158 /nfs/dbraw/zinc/59/71/58/1070597158.db2.gz VBMYXJHIJWKQMV-UHFFFAOYSA-N 1 2 410.487 -0.979 20 0 HBADLO CC(C)(C)CN(CCCO)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805376529 1070786279 /nfs/dbraw/zinc/78/62/79/1070786279.db2.gz CJLICKMCRCCGFK-UHFFFAOYSA-N 1 2 405.561 -0.131 20 0 HBADLO COCCN(Cc1ccco1)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805377571 1070597092 /nfs/dbraw/zinc/59/70/92/1070597092.db2.gz DROWMSCHHOTWJS-UHFFFAOYSA-N 1 2 415.512 -0.120 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NCCC(=O)Nc2ccccc2)CC1 ZINC000805377579 1070786577 /nfs/dbraw/zinc/78/65/77/1070786577.db2.gz DZYUFUIAQRRKTP-UHFFFAOYSA-N 1 2 424.523 -0.243 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000805378000 1070786970 /nfs/dbraw/zinc/78/69/70/1070786970.db2.gz KOXXGHRPVNZTAO-UHFFFAOYSA-N 1 2 410.496 -0.703 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2ccco2)CC1 ZINC000805378676 1070788674 /nfs/dbraw/zinc/78/86/74/1070788674.db2.gz SROWAEROTCLHBD-HNNXBMFYSA-N 1 2 413.496 -0.195 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2ccco2)CC1 ZINC000805378677 1070788852 /nfs/dbraw/zinc/78/88/52/1070788852.db2.gz SROWAEROTCLHBD-OAHLLOKOSA-N 1 2 413.496 -0.195 20 0 HBADLO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805378854 1070597032 /nfs/dbraw/zinc/59/70/32/1070597032.db2.gz WVPMZDUDYMNZJD-GOSISDBHSA-N 1 2 422.551 -0.086 20 0 HBADLO C[N@H+]1Cc2ccccc2[C@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805378854 1070597024 /nfs/dbraw/zinc/59/70/24/1070597024.db2.gz WVPMZDUDYMNZJD-GOSISDBHSA-N 1 2 422.551 -0.086 20 0 HBADLO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805378861 1070596960 /nfs/dbraw/zinc/59/69/60/1070596960.db2.gz WVPMZDUDYMNZJD-SFHVURJKSA-N 1 2 422.551 -0.086 20 0 HBADLO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000805378861 1070596949 /nfs/dbraw/zinc/59/69/49/1070596949.db2.gz WVPMZDUDYMNZJD-SFHVURJKSA-N 1 2 422.551 -0.086 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N(CCO)Cc2ccccc2)CC1 ZINC000805378989 1070597174 /nfs/dbraw/zinc/59/71/74/1070597174.db2.gz ZNQUXHIQZJDFBW-UHFFFAOYSA-N 1 2 411.524 -0.367 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCOC3(CCCC3)C2)CC1 ZINC000805379442 1070788728 /nfs/dbraw/zinc/78/87/28/1070788728.db2.gz ZEUOBZTXMGNODZ-UHFFFAOYSA-N 1 2 401.529 -0.217 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000805379444 1070598232 /nfs/dbraw/zinc/59/82/32/1070598232.db2.gz ZFMSDHDSNYMKBN-QGZVFWFLSA-N 1 2 424.523 -0.314 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000805379454 1070598033 /nfs/dbraw/zinc/59/80/33/1070598033.db2.gz ZVJQCWOVNZCOBD-UHFFFAOYSA-N 1 2 422.551 -0.040 20 0 HBADLO CO[C@]1(C)C[C@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1(C)C ZINC000805379621 1070597833 /nfs/dbraw/zinc/59/78/33/1070597833.db2.gz KBWOTGAGFKLPLJ-KBXCAEBGSA-N 1 2 403.545 -0.069 20 0 HBADLO CO[C@@]1(C)C[C@@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1(C)C ZINC000805379622 1070597859 /nfs/dbraw/zinc/59/78/59/1070597859.db2.gz KBWOTGAGFKLPLJ-KDOFPFPSSA-N 1 2 403.545 -0.069 20 0 HBADLO CO[C@@]1(C)C[C@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1(C)C ZINC000805379623 1070598092 /nfs/dbraw/zinc/59/80/92/1070598092.db2.gz KBWOTGAGFKLPLJ-KSSFIOAISA-N 1 2 403.545 -0.069 20 0 HBADLO CO[C@]1(C)C[C@@H](NC(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1(C)C ZINC000805379624 1070598269 /nfs/dbraw/zinc/59/82/69/1070598269.db2.gz KBWOTGAGFKLPLJ-RDTXWAMCSA-N 1 2 403.545 -0.069 20 0 HBADLO C[C@@H](O)C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379914 1070598123 /nfs/dbraw/zinc/59/81/23/1070598123.db2.gz VODOVZZVLPSWJE-GDBMZVCRSA-N 1 2 403.545 -0.236 20 0 HBADLO C[C@H](O)C[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379915 1070788701 /nfs/dbraw/zinc/78/87/01/1070788701.db2.gz VODOVZZVLPSWJE-GOEBONIOSA-N 1 2 403.545 -0.236 20 0 HBADLO C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379916 1070788834 /nfs/dbraw/zinc/78/88/34/1070788834.db2.gz VODOVZZVLPSWJE-HOCLYGCPSA-N 1 2 403.545 -0.236 20 0 HBADLO C[C@@H](O)C[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805379917 1070597930 /nfs/dbraw/zinc/59/79/30/1070597930.db2.gz VODOVZZVLPSWJE-ZBFHGGJFSA-N 1 2 403.545 -0.236 20 0 HBADLO CCC[C@]1(CO)CCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380202 1070597895 /nfs/dbraw/zinc/59/78/95/1070597895.db2.gz GYNCEKCMRGKZEP-GOSISDBHSA-N 1 2 403.545 -0.235 20 0 HBADLO CCC[C@@]1(CO)CCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805380203 1070597806 /nfs/dbraw/zinc/59/78/06/1070597806.db2.gz GYNCEKCMRGKZEP-SFHVURJKSA-N 1 2 403.545 -0.235 20 0 HBADLO CCCN1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1=O ZINC000805380253 1070788591 /nfs/dbraw/zinc/78/85/91/1070788591.db2.gz ITAZCMWSZHQFOQ-UHFFFAOYSA-N 1 2 416.544 -0.918 20 0 HBADLO CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805380281 1070788567 /nfs/dbraw/zinc/78/85/67/1070788567.db2.gz JURXOEHBXBHJQZ-CQSZACIVSA-N 1 2 417.528 -0.587 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000805380530 1070788868 /nfs/dbraw/zinc/78/88/68/1070788868.db2.gz RVFYLVZODZVKBD-UHFFFAOYSA-N 1 2 423.539 -0.645 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@H]2CO)CC1 ZINC000805380946 1070597738 /nfs/dbraw/zinc/59/77/38/1070597738.db2.gz CYFYDCBJZIQUJW-GOSISDBHSA-N 1 2 423.535 -0.270 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCc3ccccc3[C@@H]2CO)CC1 ZINC000805380947 1070789516 /nfs/dbraw/zinc/78/95/16/1070789516.db2.gz CYFYDCBJZIQUJW-SFHVURJKSA-N 1 2 423.535 -0.270 20 0 HBADLO CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805381064 1070597717 /nfs/dbraw/zinc/59/77/17/1070597717.db2.gz KQADYSLJNZYMNE-UHFFFAOYSA-N 1 2 419.544 -0.198 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C2CC2)O1 ZINC000805381211 1070789547 /nfs/dbraw/zinc/78/95/47/1070789547.db2.gz GIODKEUXCHWZFO-BBRMVZONSA-N 1 2 401.529 -0.363 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@@H](C2CC2)O1 ZINC000805381212 1070789461 /nfs/dbraw/zinc/78/94/61/1070789461.db2.gz GIODKEUXCHWZFO-CJNGLKHVSA-N 1 2 401.529 -0.363 20 0 HBADLO C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C2CC2)O1 ZINC000805381213 1070789168 /nfs/dbraw/zinc/78/91/68/1070789168.db2.gz GIODKEUXCHWZFO-CZUORRHYSA-N 1 2 401.529 -0.363 20 0 HBADLO C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C[C@H](C2CC2)O1 ZINC000805381214 1070789293 /nfs/dbraw/zinc/78/92/93/1070789293.db2.gz GIODKEUXCHWZFO-XJKSGUPXSA-N 1 2 401.529 -0.363 20 0 HBADLO CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000805381550 1070598613 /nfs/dbraw/zinc/59/86/13/1070598613.db2.gz JURXOEHBXBHJQZ-AWEZNQCLSA-N 1 2 417.528 -0.587 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000805381669 1070789494 /nfs/dbraw/zinc/78/94/94/1070789494.db2.gz KSLDBULZOWNSQT-ARFHVFGLSA-N 1 2 413.540 -0.315 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000805381674 1070790115 /nfs/dbraw/zinc/79/01/15/1070790115.db2.gz KSLDBULZOWNSQT-BZUAXINKSA-N 1 2 413.540 -0.315 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000805381677 1070790029 /nfs/dbraw/zinc/79/00/29/1070790029.db2.gz KSLDBULZOWNSQT-OAGGEKHMSA-N 1 2 413.540 -0.315 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000805381681 1070598894 /nfs/dbraw/zinc/59/88/94/1070598894.db2.gz KSLDBULZOWNSQT-XHSDSOJGSA-N 1 2 413.540 -0.315 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](OC(F)F)C2)CC1 ZINC000805381918 1070598954 /nfs/dbraw/zinc/59/89/54/1070598954.db2.gz MSKRDNGAENRREE-CYBMUJFWSA-N 1 2 411.471 -0.158 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](OC(F)F)C2)CC1 ZINC000805381920 1070598940 /nfs/dbraw/zinc/59/89/40/1070598940.db2.gz MSKRDNGAENRREE-ZDUSSCGKSA-N 1 2 411.471 -0.158 20 0 HBADLO CC(C)C[C@H]1COCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805381990 1070598835 /nfs/dbraw/zinc/59/88/35/1070598835.db2.gz LDSDQQXXOBPUQQ-INIZCTEOSA-N 1 2 403.545 -0.115 20 0 HBADLO CC(C)C[C@@H]1COCCN1C(=O)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000805381991 1070599131 /nfs/dbraw/zinc/59/91/31/1070599131.db2.gz LDSDQQXXOBPUQQ-MRXNPFEDSA-N 1 2 403.545 -0.115 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)N2CCOCC3(CCC3)C2)CC1 ZINC000805382694 1070599055 /nfs/dbraw/zinc/59/90/55/1070599055.db2.gz USOWCGQJMAAXEX-UHFFFAOYSA-N 1 2 401.529 -0.359 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CSCCS2)CC1 ZINC000805382761 1070598713 /nfs/dbraw/zinc/59/87/13/1070598713.db2.gz XFQCXBGCYZHUMS-CYBMUJFWSA-N 1 2 409.599 -0.424 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CSCCS2)CC1 ZINC000805382762 1070599456 /nfs/dbraw/zinc/59/94/56/1070599456.db2.gz XFQCXBGCYZHUMS-ZDUSSCGKSA-N 1 2 409.599 -0.424 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000805407842 1070599850 /nfs/dbraw/zinc/59/98/50/1070599850.db2.gz HOEYRGLBCLOCAZ-HPGBDJQBSA-N 1 2 411.524 -0.797 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@@](=O)Cc1ccccc1 ZINC000805407843 1070599665 /nfs/dbraw/zinc/59/96/65/1070599665.db2.gz HOEYRGLBCLOCAZ-JYRCXFKTSA-N 1 2 411.524 -0.797 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C(=O)NCC[S@](=O)Cc1ccccc1 ZINC000805407845 1070599806 /nfs/dbraw/zinc/59/98/06/1070599806.db2.gz HOEYRGLBCLOCAZ-UULLZXFKSA-N 1 2 411.524 -0.797 20 0 HBADLO 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CC(=O)NCC(=O)NCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000807742717 1070704330 /nfs/dbraw/zinc/70/43/30/1070704330.db2.gz LVNUDIZNLYIGQH-OAHLLOKOSA-N 1 2 411.503 -0.608 20 0 HBADLO Cn1cc(C(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(=O)n(C)c1=O ZINC000807743320 1070704396 /nfs/dbraw/zinc/70/43/96/1070704396.db2.gz LSHVRLKPYUVWDZ-AWEZNQCLSA-N 1 2 421.498 -0.149 20 0 HBADLO Cn1cc(C(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c(=O)n(C)c1=O ZINC000807743321 1070704477 /nfs/dbraw/zinc/70/44/77/1070704477.db2.gz LSHVRLKPYUVWDZ-CQSZACIVSA-N 1 2 421.498 -0.149 20 0 HBADLO CN1C(=O)C(=O)N(CC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC000807746823 1070704927 /nfs/dbraw/zinc/70/49/27/1070704927.db2.gz PUPWWPCFUVIATO-CYBMUJFWSA-N 1 2 423.470 -0.439 20 0 HBADLO CN1C(=O)C(=O)N(CC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1=O ZINC000807746824 1070704896 /nfs/dbraw/zinc/70/48/96/1070704896.db2.gz PUPWWPCFUVIATO-ZDUSSCGKSA-N 1 2 423.470 -0.439 20 0 HBADLO 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CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H](O)C[NH+]2CCOCC2)ccc1Cl ZINC000914535814 1071629846 /nfs/dbraw/zinc/62/98/46/1071629846.db2.gz NUDJJQSZPLIZJU-ZDUSSCGKSA-N 1 2 421.903 -0.055 20 0 HBADLO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914535837 1071629948 /nfs/dbraw/zinc/62/99/48/1071629948.db2.gz PQWHEUZXEWABFV-FOIQADDNSA-N 1 2 402.451 -0.811 20 0 HBADLO O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914535838 1071629895 /nfs/dbraw/zinc/62/98/95/1071629895.db2.gz PQWHEUZXEWABFV-MGPUTAFESA-N 1 2 402.451 -0.811 20 0 HBADLO O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000914535839 1071629983 /nfs/dbraw/zinc/62/99/83/1071629983.db2.gz PQWHEUZXEWABFV-QRWLVFNGSA-N 1 2 402.451 -0.811 20 0 HBADLO O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000914535840 1071629939 /nfs/dbraw/zinc/62/99/39/1071629939.db2.gz PQWHEUZXEWABFV-YWZLYKJASA-N 1 2 402.451 -0.811 20 0 HBADLO 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ZINC000914542506 1071631003 /nfs/dbraw/zinc/63/10/03/1071631003.db2.gz YTZDERKJJODUOK-GYXHFJGISA-N 1 2 402.455 -0.202 20 0 HBADLO COc1cccc(/C=C(\C(=O)NC[C@@H](O)C[NH+]2CCOCC2)n2nnnc2C)c1 ZINC000914542509 1071630841 /nfs/dbraw/zinc/63/08/41/1071630841.db2.gz YTZDERKJJODUOK-YCPFAOKUSA-N 1 2 402.455 -0.202 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cnn3cccnc23)CC1 ZINC000914620828 1071636816 /nfs/dbraw/zinc/63/68/16/1071636816.db2.gz SGQCQRIBABZCOZ-UHFFFAOYSA-N 1 2 421.421 -0.088 20 0 HBADLO CCC(=O)N[C@H](C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000914676602 1071646487 /nfs/dbraw/zinc/64/64/87/1071646487.db2.gz LUWAYOPTPNSUFC-GFCCVEGCSA-N 1 2 403.443 -0.530 20 0 HBADLO CCC(=O)N[C@@H](C)C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000914676605 1071646464 /nfs/dbraw/zinc/64/64/64/1071646464.db2.gz LUWAYOPTPNSUFC-LBPRGKRZSA-N 1 2 403.443 -0.530 20 0 HBADLO CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000914724938 1071649681 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411.462 -0.460 20 0 HBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[NH+](CCOC)CC3)cc2S1(=O)=O ZINC000916777866 1071777119 /nfs/dbraw/zinc/77/71/19/1071777119.db2.gz FBFSVSOUYSRNGH-UHFFFAOYSA-N 1 2 411.480 -0.118 20 0 HBADLO O=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000917098688 1071785297 /nfs/dbraw/zinc/78/52/97/1071785297.db2.gz PSLFZOBRCCDNRK-AWEZNQCLSA-N 1 2 409.464 -0.584 20 0 HBADLO O=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000917098689 1071785438 /nfs/dbraw/zinc/78/54/38/1071785438.db2.gz PSLFZOBRCCDNRK-CQSZACIVSA-N 1 2 409.464 -0.584 20 0 HBADLO CC(C)N1C(=O)c2ccc(C(=O)NC[C@H](O)C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000917098933 1071785415 /nfs/dbraw/zinc/78/54/15/1071785415.db2.gz UQQHGWJMBHIFMJ-AWEZNQCLSA-N 1 2 411.480 -0.338 20 0 HBADLO CC(C)N1C(=O)c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCOCC3)cc2S1(=O)=O ZINC000917098934 1071785500 /nfs/dbraw/zinc/78/55/00/1071785500.db2.gz UQQHGWJMBHIFMJ-CQSZACIVSA-N 1 2 411.480 -0.338 20 0 HBADLO 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Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cc2nnc[nH]2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993634957 1071744617 /nfs/dbraw/zinc/74/46/17/1071744617.db2.gz MGGUWVVFSAJPMG-XOIVCCKSSA-N 1 2 411.466 -0.385 20 0 HBADLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993635369 1071744764 /nfs/dbraw/zinc/74/47/64/1071744764.db2.gz PFTMPMVXSSITAK-MNHMMDCCSA-N 1 2 411.466 -0.454 20 0 HBADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995446238 1072195106 /nfs/dbraw/zinc/19/51/06/1072195106.db2.gz LXXYHOUUKUKGPE-BCHHIPDFSA-N 1 2 420.491 -0.788 20 0 HBADLO O=C(Cn1cc[nH+]c1)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995446246 1072195138 /nfs/dbraw/zinc/19/51/38/1072195138.db2.gz MAGVYRHJESWIGG-BCHHIPDFSA-N 1 2 420.491 -0.857 20 0 HBADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995448608 1072196623 /nfs/dbraw/zinc/19/66/23/1072196623.db2.gz ZUJIKVSKFHTBII-FHFYJJPZSA-N 1 2 420.491 -0.788 20 0 HBADLO O=C(Cc1[nH]cc[nH+]1)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995449995 1072196172 /nfs/dbraw/zinc/19/61/72/1072196172.db2.gz ZUJIKVSKFHTBII-MXYUDHFUSA-N 1 2 420.491 -0.788 20 0 HBADLO O=C(Cn1cc[nH+]c1)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995451003 1072197767 /nfs/dbraw/zinc/19/77/67/1072197767.db2.gz MAGVYRHJESWIGG-FTBKSCEHSA-N 1 2 420.491 -0.857 20 0 HBADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995475452 1072200347 /nfs/dbraw/zinc/20/03/47/1072200347.db2.gz LXXYHOUUKUKGPE-FTBKSCEHSA-N 1 2 420.491 -0.788 20 0 HBADLO O=C(NC1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000997026533 1069005257 /nfs/dbraw/zinc/00/52/57/1069005257.db2.gz HXQVHADEYNSGGN-IZGRHMBUSA-N 1 2 405.495 -0.383 20 0 HBADLO 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LDYIIJAAIIXZEC-UHFFFAOYSA-N 1 2 411.528 -0.092 20 0 HBADLO Cc1cccc2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)n21 ZINC001136201550 1070978357 /nfs/dbraw/zinc/97/83/57/1070978357.db2.gz LZLRZFIEJJZSEZ-UHFFFAOYSA-N 1 2 406.512 -0.107 20 0 HBADLO CC(=O)Nc1cnccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201563 1070978642 /nfs/dbraw/zinc/97/86/42/1070978642.db2.gz MVWHXNIVECILMZ-UHFFFAOYSA-N 1 2 410.500 -0.710 20 0 HBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c2nccn2c1 ZINC001136201604 1070978575 /nfs/dbraw/zinc/97/85/75/1070978575.db2.gz OQYZERGNNHKFHS-UHFFFAOYSA-N 1 2 406.512 -0.107 20 0 HBADLO Cc1cccc2c1O[C@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001136201632 1070978723 /nfs/dbraw/zinc/97/87/23/1070978723.db2.gz PWXPKIPUVYGAIP-KRWDZBQOSA-N 1 2 408.524 -0.065 20 0 HBADLO Cc1cccc2c1O[C@@H](C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001136201633 1070978505 /nfs/dbraw/zinc/97/85/05/1070978505.db2.gz PWXPKIPUVYGAIP-QGZVFWFLSA-N 1 2 408.524 -0.065 20 0 HBADLO CC(=O)Nc1cccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001136201685 1070978410 /nfs/dbraw/zinc/97/84/10/1070978410.db2.gz RZCHNUIQKWBWLH-UHFFFAOYSA-N 1 2 423.539 -0.176 20 0 HBADLO Cc1cc(C)n(CCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001136201734 1070978469 /nfs/dbraw/zinc/97/84/69/1070978469.db2.gz UIFFVJHHEQWYNH-UHFFFAOYSA-N 1 2 412.560 -0.083 20 0 HBADLO COc1ccnc(OC)c1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001136201797 1070978551 /nfs/dbraw/zinc/97/85/51/1070978551.db2.gz WMYVSFMIVNQGFL-UHFFFAOYSA-N 1 2 413.500 -0.651 20 0 HBADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001136205807 1070980133 /nfs/dbraw/zinc/98/01/33/1070980133.db2.gz ODNUKUURSJTLME-HOTGVXAUSA-N 1 2 419.482 -0.093 20 0 HBADLO COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001136205807 1070980119 /nfs/dbraw/zinc/98/01/19/1070980119.db2.gz ODNUKUURSJTLME-HOTGVXAUSA-N 1 2 419.482 -0.093 20 0 HBADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001136205808 1070979855 /nfs/dbraw/zinc/97/98/55/1070979855.db2.gz ODNUKUURSJTLME-JKSUJKDBSA-N 1 2 419.482 -0.093 20 0 HBADLO COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001136205808 1070979848 /nfs/dbraw/zinc/97/98/48/1070979848.db2.gz ODNUKUURSJTLME-JKSUJKDBSA-N 1 2 419.482 -0.093 20 0 HBADLO O=C(Cc1nnc(C2CC2)[nH]1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001136244504 1070985272 /nfs/dbraw/zinc/98/52/72/1070985272.db2.gz DUONGRXXHPDDEK-UHFFFAOYSA-N 1 2 419.511 -0.112 20 0 HBADLO CC(C)[C@H](NC(N)=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001136244611 1070985100 /nfs/dbraw/zinc/98/51/00/1070985100.db2.gz IVTQOQIANQMCHK-HNNXBMFYSA-N 1 2 412.516 -0.658 20 0 HBADLO NC(=O)CNC(=O)c1ccc(CNC(=O)c2cccn2CC[NH+]2CCOCC2)cc1 ZINC001136267070 1070987520 /nfs/dbraw/zinc/98/75/20/1070987520.db2.gz JVYPYGOVPHRDEN-UHFFFAOYSA-N 1 2 413.478 -0.035 20 0 HBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001136393143 1070999835 /nfs/dbraw/zinc/99/98/35/1070999835.db2.gz FTNHSQLXPGEPKR-KBXCAEBGSA-N 1 2 400.545 -0.283 20 0 HBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001136393144 1070999673 /nfs/dbraw/zinc/99/96/73/1070999673.db2.gz FTNHSQLXPGEPKR-KDOFPFPSSA-N 1 2 400.545 -0.283 20 0 HBADLO CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001136393145 1070999899 /nfs/dbraw/zinc/99/98/99/1070999899.db2.gz FTNHSQLXPGEPKR-KSSFIOAISA-N 1 2 400.545 -0.283 20 0 HBADLO CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001136393146 1070999871 /nfs/dbraw/zinc/99/98/71/1070999871.db2.gz FTNHSQLXPGEPKR-RDTXWAMCSA-N 1 2 400.545 -0.283 20 0 HBADLO O=C(N[C@@H](CO)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc(F)n1 ZINC001136393661 1071000501 /nfs/dbraw/zinc/00/05/01/1071000501.db2.gz UNKNSSFTNCQGFA-KBXCAEBGSA-N 1 2 412.487 -0.365 20 0 HBADLO O=C(N[C@@H](CO)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc(F)n1 ZINC001136393662 1071000373 /nfs/dbraw/zinc/00/03/73/1071000373.db2.gz UNKNSSFTNCQGFA-KSSFIOAISA-N 1 2 412.487 -0.365 20 0 HBADLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC001136406871 1071000289 /nfs/dbraw/zinc/00/02/89/1071000289.db2.gz FRKLHZPQOURCDY-GOSISDBHSA-N 1 2 410.540 -0.037 20 0 HBADLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC001136406871 1071000267 /nfs/dbraw/zinc/00/02/67/1071000267.db2.gz FRKLHZPQOURCDY-GOSISDBHSA-N 1 2 410.540 -0.037 20 0 HBADLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC001136406872 1071000445 /nfs/dbraw/zinc/00/04/45/1071000445.db2.gz FRKLHZPQOURCDY-SFHVURJKSA-N 1 2 410.540 -0.037 20 0 HBADLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc1 ZINC001136406872 1071000426 /nfs/dbraw/zinc/00/04/26/1071000426.db2.gz FRKLHZPQOURCDY-SFHVURJKSA-N 1 2 410.540 -0.037 20 0 HBADLO CN(C)S(=O)(=O)NCC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001136429671 1071001374 /nfs/dbraw/zinc/00/13/74/1071001374.db2.gz OKNHYKHZDLTVDD-UHFFFAOYSA-N 1 2 400.501 -0.590 20 0 HBADLO COC(=O)c1ccn(CC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC001136478283 1071004084 /nfs/dbraw/zinc/00/40/84/1071004084.db2.gz POSPAVFUQRGYDF-UHFFFAOYSA-N 1 2 400.439 -0.080 20 0 HBADLO CC1=C(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)S(=O)(=O)CCO1 ZINC001136478488 1071003986 /nfs/dbraw/zinc/00/39/86/1071003986.db2.gz YQJJPLCPAWLMHO-UHFFFAOYSA-N 1 2 408.480 -0.087 20 0 HBADLO O=C(c1ccc(=O)[nH]c1)N1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC001136519187 1071005042 /nfs/dbraw/zinc/00/50/42/1071005042.db2.gz JFUDUABEUCPQOW-SJORKVTESA-N 1 2 404.467 -0.049 20 0 HBADLO Cn1nc2c(c1C(=O)N1CCC([N@H+]3CCC[C@H]3C(N)=O)CC1)CS(=O)(=O)CC2 ZINC001136524776 1071005518 /nfs/dbraw/zinc/00/55/18/1071005518.db2.gz MVBXBOIOTGVZEX-HNNXBMFYSA-N 1 2 409.512 -0.555 20 0 HBADLO Cn1nc2c(c1C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)CS(=O)(=O)CC2 ZINC001136524776 1071005499 /nfs/dbraw/zinc/00/54/99/1071005499.db2.gz MVBXBOIOTGVZEX-HNNXBMFYSA-N 1 2 409.512 -0.555 20 0 HBADLO Cn1nc2c(c1C(=O)N1CCC([N@H+]3CCC[C@@H]3C(N)=O)CC1)CS(=O)(=O)CC2 ZINC001136524777 1071005718 /nfs/dbraw/zinc/00/57/18/1071005718.db2.gz MVBXBOIOTGVZEX-OAHLLOKOSA-N 1 2 409.512 -0.555 20 0 HBADLO Cn1nc2c(c1C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)CS(=O)(=O)CC2 ZINC001136524777 1071005699 /nfs/dbraw/zinc/00/56/99/1071005699.db2.gz MVBXBOIOTGVZEX-OAHLLOKOSA-N 1 2 409.512 -0.555 20 0 HBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3CS(=O)(=O)C3)cc2)CC1 ZINC001136575628 1071007618 /nfs/dbraw/zinc/00/76/18/1071007618.db2.gz CUWXNAWDECMITP-UHFFFAOYSA-N 1 2 423.535 -0.067 20 0 HBADLO O=C(N[C@@H](CO)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1cccc(F)n1 ZINC001136643294 1071010974 /nfs/dbraw/zinc/01/09/74/1071010974.db2.gz FVTOPPZIATUBEQ-HNNXBMFYSA-N 1 2 406.418 -0.521 20 0 HBADLO CN1CCn2nc(C(=O)N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)cc2S1(=O)=O ZINC001136659913 1071012136 /nfs/dbraw/zinc/01/21/36/1071012136.db2.gz VRDPZZHYBUCAIX-UHFFFAOYSA-N 1 2 424.527 -0.713 20 0 HBADLO CN1CCn2nc(C(=O)N3CCC[N@H+](CC(=O)N4CCCC4)CC3)cc2S1(=O)=O ZINC001136659913 1071012116 /nfs/dbraw/zinc/01/21/16/1071012116.db2.gz VRDPZZHYBUCAIX-UHFFFAOYSA-N 1 2 424.527 -0.713 20 0 HBADLO CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001136668251 1071014219 /nfs/dbraw/zinc/01/42/19/1071014219.db2.gz JBRZPNFBKNYEAF-OAHLLOKOSA-N 1 2 409.574 -0.282 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001136668429 1071014418 /nfs/dbraw/zinc/01/44/18/1071014418.db2.gz PQNNWRXZHAULCW-CVEARBPZSA-N 1 2 410.496 -0.418 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001136668430 1071014508 /nfs/dbraw/zinc/01/45/08/1071014508.db2.gz PQNNWRXZHAULCW-HOTGVXAUSA-N 1 2 410.496 -0.418 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001136668431 1071014141 /nfs/dbraw/zinc/01/41/41/1071014141.db2.gz PQNNWRXZHAULCW-HZPDHXFCSA-N 1 2 410.496 -0.418 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 ZINC001136668432 1071013988 /nfs/dbraw/zinc/01/39/88/1071013988.db2.gz PQNNWRXZHAULCW-JKSUJKDBSA-N 1 2 410.496 -0.418 20 0 HBADLO Cn1cc(N2C[C@@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CCC2=O)cn1 ZINC001136668901 1071014050 /nfs/dbraw/zinc/01/40/50/1071014050.db2.gz HJGUWJMFSCXPSJ-AWEZNQCLSA-N 1 2 411.528 -0.212 20 0 HBADLO Cn1cc(N2C[C@H](C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CCC2=O)cn1 ZINC001136668902 1071014177 /nfs/dbraw/zinc/01/41/77/1071014177.db2.gz HJGUWJMFSCXPSJ-CQSZACIVSA-N 1 2 411.528 -0.212 20 0 HBADLO CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001136669225 1071014474 /nfs/dbraw/zinc/01/44/74/1071014474.db2.gz VOAWPHLEJFEXJI-AWEZNQCLSA-N 1 2 407.533 -0.113 20 0 HBADLO CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001136669226 1071014274 /nfs/dbraw/zinc/01/42/74/1071014274.db2.gz VOAWPHLEJFEXJI-CQSZACIVSA-N 1 2 407.533 -0.113 20 0 HBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672250 1071014323 /nfs/dbraw/zinc/01/43/23/1071014323.db2.gz HJBKVWYYWHXZPW-UXLLHSPISA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672250 1071014307 /nfs/dbraw/zinc/01/43/07/1071014307.db2.gz HJBKVWYYWHXZPW-UXLLHSPISA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672251 1071013860 /nfs/dbraw/zinc/01/38/60/1071013860.db2.gz HJBKVWYYWHXZPW-YQQAZPJKSA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672251 1071013847 /nfs/dbraw/zinc/01/38/47/1071013847.db2.gz HJBKVWYYWHXZPW-YQQAZPJKSA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672252 1071014102 /nfs/dbraw/zinc/01/41/02/1071014102.db2.gz HJBKVWYYWHXZPW-ZMSDIMECSA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672252 1071014084 /nfs/dbraw/zinc/01/40/84/1071014084.db2.gz HJBKVWYYWHXZPW-ZMSDIMECSA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672253 1071014579 /nfs/dbraw/zinc/01/45/79/1071014579.db2.gz HJBKVWYYWHXZPW-ZOBUZTSGSA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001136672253 1071014562 /nfs/dbraw/zinc/01/45/62/1071014562.db2.gz HJBKVWYYWHXZPW-ZOBUZTSGSA-N 1 2 406.458 -0.604 20 0 HBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001136672417 1071014379 /nfs/dbraw/zinc/01/43/79/1071014379.db2.gz MYTOMGDZYDEJSA-HNNXBMFYSA-N 1 2 424.523 -0.489 20 0 HBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001136672417 1071014362 /nfs/dbraw/zinc/01/43/62/1071014362.db2.gz MYTOMGDZYDEJSA-HNNXBMFYSA-N 1 2 424.523 -0.489 20 0 HBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001136672418 1071013914 /nfs/dbraw/zinc/01/39/14/1071013914.db2.gz MYTOMGDZYDEJSA-OAHLLOKOSA-N 1 2 424.523 -0.489 20 0 HBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)C1 ZINC001136672418 1071013897 /nfs/dbraw/zinc/01/38/97/1071013897.db2.gz MYTOMGDZYDEJSA-OAHLLOKOSA-N 1 2 424.523 -0.489 20 0 HBADLO O=C(NCCS(=O)(=O)N1CCSCC1)c1cccn1CC[NH+]1CCOCC1 ZINC001136689149 1071015921 /nfs/dbraw/zinc/01/59/21/1071015921.db2.gz XNAIIBNDVQWBEO-UHFFFAOYSA-N 1 2 416.569 -0.071 20 0 HBADLO O=C(Cc1c[nH+]c[nH]1)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001136769620 1071018847 /nfs/dbraw/zinc/01/88/47/1071018847.db2.gz RQBVZNRYMUNKMH-UHFFFAOYSA-N 1 2 405.436 -0.184 20 0 HBADLO CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001136817198 1071020330 /nfs/dbraw/zinc/02/03/30/1071020330.db2.gz IIHMBHFAJCXCBF-AWEZNQCLSA-N 1 2 414.509 -0.150 20 0 HBADLO CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC001136817199 1071020011 /nfs/dbraw/zinc/02/00/11/1071020011.db2.gz IIHMBHFAJCXCBF-CQSZACIVSA-N 1 2 414.509 -0.150 20 0 HBADLO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3cnc[nH]3)CC[C@@H]12 ZINC001136867361 1071021541 /nfs/dbraw/zinc/02/15/41/1071021541.db2.gz MOGDNTXIBBLNQU-AEFFLSMTSA-N 1 2 411.528 -0.115 20 0 HBADLO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3cnc[nH]3)CC[C@@H]12 ZINC001136867361 1071021521 /nfs/dbraw/zinc/02/15/21/1071021521.db2.gz MOGDNTXIBBLNQU-AEFFLSMTSA-N 1 2 411.528 -0.115 20 0 HBADLO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3c[nH]cn3)CC[C@@H]12 ZINC001136867361 1071021503 /nfs/dbraw/zinc/02/15/03/1071021503.db2.gz MOGDNTXIBBLNQU-AEFFLSMTSA-N 1 2 411.528 -0.115 20 0 HBADLO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3c[nH]cn3)CC[C@@H]12 ZINC001136867361 1071021483 /nfs/dbraw/zinc/02/14/83/1071021483.db2.gz MOGDNTXIBBLNQU-AEFFLSMTSA-N 1 2 411.528 -0.115 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001136947698 1071024212 /nfs/dbraw/zinc/02/42/12/1071024212.db2.gz LRYKFEAQQVIHNW-BVGQSLNGSA-N 1 2 417.466 -0.994 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001136947699 1071024051 /nfs/dbraw/zinc/02/40/51/1071024051.db2.gz LRYKFEAQQVIHNW-FSPWUOQZSA-N 1 2 417.466 -0.994 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC001136947701 1071024274 /nfs/dbraw/zinc/02/42/74/1071024274.db2.gz LRYKFEAQQVIHNW-JEBQAFNWSA-N 1 2 417.466 -0.994 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC001136947703 1071023950 /nfs/dbraw/zinc/02/39/50/1071023950.db2.gz LRYKFEAQQVIHNW-XWIAVFTESA-N 1 2 417.466 -0.994 20 0 HBADLO Cc1c[nH+]c2cc(C(=O)N3CCN(CC(=O)N[C@H]4CCS(=O)(=O)C4)CC3)ccn12 ZINC001136948917 1071025547 /nfs/dbraw/zinc/02/55/47/1071025547.db2.gz JFFMJMVXWONLEH-INIZCTEOSA-N 1 2 419.507 -0.296 20 0 HBADLO Cc1c[nH+]c2cc(C(=O)N3CCN(CC(=O)N[C@@H]4CCS(=O)(=O)C4)CC3)ccn12 ZINC001136948920 1071025439 /nfs/dbraw/zinc/02/54/39/1071025439.db2.gz JFFMJMVXWONLEH-MRXNPFEDSA-N 1 2 419.507 -0.296 20 0 HBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136949313 1071025527 /nfs/dbraw/zinc/02/55/27/1071025527.db2.gz RBELHSMEGLIPIU-FMKPAKJESA-N 1 2 414.503 -0.690 20 0 HBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001136949314 1071025486 /nfs/dbraw/zinc/02/54/86/1071025486.db2.gz RBELHSMEGLIPIU-YCPHGPKFSA-N 1 2 414.503 -0.690 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001136949351 1071026069 /nfs/dbraw/zinc/02/60/69/1071026069.db2.gz SDQLLOKEKRWLTF-AGIUHOORSA-N 1 2 406.405 -0.650 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001136949352 1071026134 /nfs/dbraw/zinc/02/61/34/1071026134.db2.gz SDQLLOKEKRWLTF-AVGNSLFASA-N 1 2 406.405 -0.650 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001136949353 1071025990 /nfs/dbraw/zinc/02/59/90/1071025990.db2.gz SDQLLOKEKRWLTF-UPJWGTAASA-N 1 2 406.405 -0.650 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CNC(=O)C[C@@H]1C(F)(F)F ZINC001136949354 1071026009 /nfs/dbraw/zinc/02/60/09/1071026009.db2.gz SDQLLOKEKRWLTF-XQQFMLRXSA-N 1 2 406.405 -0.650 20 0 HBADLO CS(=O)(=O)c1ccc(N)c(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001136949467 1071026023 /nfs/dbraw/zinc/02/60/23/1071026023.db2.gz VPZAFXFDXYQZJP-CYBMUJFWSA-N 1 2 410.496 -0.665 20 0 HBADLO CS(=O)(=O)c1ccc(N)c(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001136949468 1071026084 /nfs/dbraw/zinc/02/60/84/1071026084.db2.gz VPZAFXFDXYQZJP-ZDUSSCGKSA-N 1 2 410.496 -0.665 20 0 HBADLO O=C(Cc1ccc(F)cc1)N[C@@H](CO)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001136962202 1071026630 /nfs/dbraw/zinc/02/66/30/1071026630.db2.gz DGAXAKMKDJOEIE-KRWDZBQOSA-N 1 2 404.446 -0.719 20 0 HBADLO CN1C[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001136962208 1071026646 /nfs/dbraw/zinc/02/66/46/1071026646.db2.gz DPINLUAQLGHVPD-HNNXBMFYSA-N 1 2 421.502 -0.500 20 0 HBADLO CN1C[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)N(C(=O)OC(C)(C)C)CC1=O ZINC001136962209 1071026560 /nfs/dbraw/zinc/02/65/60/1071026560.db2.gz DPINLUAQLGHVPD-OAHLLOKOSA-N 1 2 421.502 -0.500 20 0 HBADLO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@@H+](Cc3cc[nH]n3)CC[C@@H]12 ZINC001137126540 1071887350 /nfs/dbraw/zinc/88/73/50/1071887350.db2.gz OIFCNZREYGGRJG-AEFFLSMTSA-N 1 2 411.528 -0.115 20 0 HBADLO CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CC[N@H+](Cc3cc[nH]n3)CC[C@@H]12 ZINC001137126540 1071887332 /nfs/dbraw/zinc/88/73/32/1071887332.db2.gz OIFCNZREYGGRJG-AEFFLSMTSA-N 1 2 411.528 -0.115 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 ZINC001137220692 1071904563 /nfs/dbraw/zinc/90/45/63/1071904563.db2.gz SVVZEVQZGPAAKM-HVEKOLDVSA-N 1 2 401.504 -0.196 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 ZINC001137220693 1071904378 /nfs/dbraw/zinc/90/43/78/1071904378.db2.gz SVVZEVQZGPAAKM-XAUUPUKJSA-N 1 2 401.504 -0.196 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cn(C)nc1I ZINC001137220892 1071904445 /nfs/dbraw/zinc/90/44/45/1071904445.db2.gz XIASCLRSUUWDBK-JTQLQIEISA-N 1 2 408.240 -0.210 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1cn(C)nc1I ZINC001137220893 1071904634 /nfs/dbraw/zinc/90/46/34/1071904634.db2.gz XIASCLRSUUWDBK-SNVBAGLBSA-N 1 2 408.240 -0.210 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CCS(C)(=O)=O)C2 ZINC001142529435 1069384736 /nfs/dbraw/zinc/38/47/36/1069384736.db2.gz SHXKYVQQSAYYDD-HNNXBMFYSA-N 1 2 414.528 -0.371 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CCS(C)(=O)=O)C2 ZINC001142529436 1069384909 /nfs/dbraw/zinc/38/49/09/1069384909.db2.gz SHXKYVQQSAYYDD-OAHLLOKOSA-N 1 2 414.528 -0.371 20 0 HBADLO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001142584159 1070078776 /nfs/dbraw/zinc/07/87/76/1070078776.db2.gz LFKKOCINPMFGCS-ARFHVFGLSA-N 1 2 401.529 -0.553 20 0 HBADLO CC(C)[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001142584159 1070078760 /nfs/dbraw/zinc/07/87/60/1070078760.db2.gz LFKKOCINPMFGCS-ARFHVFGLSA-N 1 2 401.529 -0.553 20 0 HBADLO CC(C)[N@@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001142584160 1070079013 /nfs/dbraw/zinc/07/90/13/1070079013.db2.gz LFKKOCINPMFGCS-BZUAXINKSA-N 1 2 401.529 -0.553 20 0 HBADLO CC(C)[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001142584160 1070078998 /nfs/dbraw/zinc/07/89/98/1070078998.db2.gz LFKKOCINPMFGCS-BZUAXINKSA-N 1 2 401.529 -0.553 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC001143469079 1069004202 /nfs/dbraw/zinc/00/42/02/1069004202.db2.gz FLPVXDCFXVPDJD-HNNXBMFYSA-N 1 2 409.512 -0.730 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCCS1(=O)=O)CC2 ZINC001143469082 1069004350 /nfs/dbraw/zinc/00/43/50/1069004350.db2.gz FLPVXDCFXVPDJD-OAHLLOKOSA-N 1 2 409.512 -0.730 20 0 HBADLO COc1ccccc1C[NH+]1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001143650504 1071032488 /nfs/dbraw/zinc/03/24/88/1071032488.db2.gz HWUVLYLRLWITDD-UHFFFAOYSA-N 1 2 415.450 -0.209 20 0 HBADLO O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)CC1 ZINC001143776324 1071033646 /nfs/dbraw/zinc/03/36/46/1071033646.db2.gz PBEUTOFVHHYUCU-UHFFFAOYSA-N 1 2 400.439 -0.354 20 0 HBADLO C[C@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC001143813832 1071034205 /nfs/dbraw/zinc/03/42/05/1071034205.db2.gz AHOFLBZTMKIJBC-HNNXBMFYSA-N 1 2 412.512 -0.804 20 0 HBADLO C[C@@H](NC(=O)c1cccn1CC[NH+]1CCOCC1)C(=O)N1CCS(=O)(=O)CC1 ZINC001143813833 1071034238 /nfs/dbraw/zinc/03/42/38/1071034238.db2.gz AHOFLBZTMKIJBC-OAHLLOKOSA-N 1 2 412.512 -0.804 20 0 HBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1 ZINC001144170468 1071040953 /nfs/dbraw/zinc/04/09/53/1071040953.db2.gz MVCVWWQZLRCCGB-MSOLQXFVSA-N 1 2 410.478 -0.141 20 0 HBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1 ZINC001144170469 1071041083 /nfs/dbraw/zinc/04/10/83/1071041083.db2.gz MVCVWWQZLRCCGB-QZTJIDSGSA-N 1 2 410.478 -0.141 20 0 HBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1 ZINC001144170470 1071041052 /nfs/dbraw/zinc/04/10/52/1071041052.db2.gz MVCVWWQZLRCCGB-ROUUACIJSA-N 1 2 410.478 -0.141 20 0 HBADLO NC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1 ZINC001144170471 1071040970 /nfs/dbraw/zinc/04/09/70/1071040970.db2.gz MVCVWWQZLRCCGB-ZWKOTPCHSA-N 1 2 410.478 -0.141 20 0 HBADLO COCCOCC[NH+]1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn32)CC1 ZINC001144291727 1071043954 /nfs/dbraw/zinc/04/39/54/1071043954.db2.gz PTEWOWKYTWKKIC-UHFFFAOYSA-N 1 2 411.484 -0.598 20 0 HBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001144292055 1071043916 /nfs/dbraw/zinc/04/39/16/1071043916.db2.gz ZVSIUKVXYUXBEG-KRWDZBQOSA-N 1 2 421.498 -0.016 20 0 HBADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC001144292056 1071043981 /nfs/dbraw/zinc/04/39/81/1071043981.db2.gz ZVSIUKVXYUXBEG-QGZVFWFLSA-N 1 2 421.498 -0.016 20 0 HBADLO CC(=O)N1CCC[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001144316752 1071044570 /nfs/dbraw/zinc/04/45/70/1071044570.db2.gz AAAJZJRUQVSLSY-INIZCTEOSA-N 1 2 402.499 -0.297 20 0 HBADLO CC(=O)N[C@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)C(C)C ZINC001144360226 1071047390 /nfs/dbraw/zinc/04/73/90/1071047390.db2.gz CLMJSVKAXBSIRA-KRWDZBQOSA-N 1 2 404.515 -0.147 20 0 HBADLO CC(=O)N[C@@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)C(C)C ZINC001144360227 1071047197 /nfs/dbraw/zinc/04/71/97/1071047197.db2.gz CLMJSVKAXBSIRA-QGZVFWFLSA-N 1 2 404.515 -0.147 20 0 HBADLO CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001144408245 1071048205 /nfs/dbraw/zinc/04/82/05/1071048205.db2.gz BTYSMKBNLGCNNW-UHFFFAOYSA-N 1 2 419.544 -0.293 20 0 HBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 ZINC001144408989 1071048274 /nfs/dbraw/zinc/04/82/74/1071048274.db2.gz NANRYUXCHLGXBB-UHFFFAOYSA-N 1 2 407.558 -0.430 20 0 HBADLO C[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001144558393 1071050312 /nfs/dbraw/zinc/05/03/12/1071050312.db2.gz RSBTUNLJFOXJEU-AWEZNQCLSA-N 1 2 411.503 -0.526 20 0 HBADLO C[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001144558393 1071050306 /nfs/dbraw/zinc/05/03/06/1071050306.db2.gz RSBTUNLJFOXJEU-AWEZNQCLSA-N 1 2 411.503 -0.526 20 0 HBADLO C[C@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001144558394 1071050281 /nfs/dbraw/zinc/05/02/81/1071050281.db2.gz RSBTUNLJFOXJEU-CQSZACIVSA-N 1 2 411.503 -0.526 20 0 HBADLO C[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001144558394 1071050275 /nfs/dbraw/zinc/05/02/75/1071050275.db2.gz RSBTUNLJFOXJEU-CQSZACIVSA-N 1 2 411.503 -0.526 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNc1ccc(O)cc1 ZINC001144587072 1071050589 /nfs/dbraw/zinc/05/05/89/1071050589.db2.gz HMUDCKJFHJURFL-HOTGVXAUSA-N 1 2 400.439 -0.269 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNc1ccc(O)cc1 ZINC001144587072 1071050583 /nfs/dbraw/zinc/05/05/83/1071050583.db2.gz HMUDCKJFHJURFL-HOTGVXAUSA-N 1 2 400.439 -0.269 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613094 1071052103 /nfs/dbraw/zinc/05/21/03/1071052103.db2.gz NCUZIAVYWPRGLS-DOMZBBRYSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613094 1071052092 /nfs/dbraw/zinc/05/20/92/1071052092.db2.gz NCUZIAVYWPRGLS-DOMZBBRYSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613095 1071052250 /nfs/dbraw/zinc/05/22/50/1071052250.db2.gz NCUZIAVYWPRGLS-IUODEOHRSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613095 1071052244 /nfs/dbraw/zinc/05/22/44/1071052244.db2.gz NCUZIAVYWPRGLS-IUODEOHRSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613096 1071052163 /nfs/dbraw/zinc/05/21/63/1071052163.db2.gz NCUZIAVYWPRGLS-SWLSCSKDSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613096 1071052153 /nfs/dbraw/zinc/05/21/53/1071052153.db2.gz NCUZIAVYWPRGLS-SWLSCSKDSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613097 1071052073 /nfs/dbraw/zinc/05/20/73/1071052073.db2.gz NCUZIAVYWPRGLS-WFASDCNBSA-N 1 2 405.904 -0.184 20 0 HBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001144613097 1071052061 /nfs/dbraw/zinc/05/20/61/1071052061.db2.gz NCUZIAVYWPRGLS-WFASDCNBSA-N 1 2 405.904 -0.184 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)c1ccc(O)cc1 ZINC001144615674 1071052232 /nfs/dbraw/zinc/05/22/32/1071052232.db2.gz ACKVFSIDERTMHF-HRCADAONSA-N 1 2 401.423 -0.648 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)c1ccc(O)cc1 ZINC001144615674 1071052216 /nfs/dbraw/zinc/05/22/16/1071052216.db2.gz ACKVFSIDERTMHF-HRCADAONSA-N 1 2 401.423 -0.648 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)c1ccc(O)cc1 ZINC001144615684 1071052306 /nfs/dbraw/zinc/05/23/06/1071052306.db2.gz ACKVFSIDERTMHF-JYJNAYRXSA-N 1 2 401.423 -0.648 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)c1ccc(O)cc1 ZINC001144615684 1071052299 /nfs/dbraw/zinc/05/22/99/1071052299.db2.gz ACKVFSIDERTMHF-JYJNAYRXSA-N 1 2 401.423 -0.648 20 0 HBADLO CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001144657362 1071052912 /nfs/dbraw/zinc/05/29/12/1071052912.db2.gz SYLZOHHQMPWYOH-PBHICJAKSA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001144657362 1071052896 /nfs/dbraw/zinc/05/28/96/1071052896.db2.gz SYLZOHHQMPWYOH-PBHICJAKSA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001144657367 1071053161 /nfs/dbraw/zinc/05/31/61/1071053161.db2.gz SYLZOHHQMPWYOH-RHSMWYFYSA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001144657367 1071053153 /nfs/dbraw/zinc/05/31/53/1071053153.db2.gz SYLZOHHQMPWYOH-RHSMWYFYSA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001144657369 1071053002 /nfs/dbraw/zinc/05/30/02/1071053002.db2.gz SYLZOHHQMPWYOH-WMLDXEAASA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001144657369 1071052996 /nfs/dbraw/zinc/05/29/96/1071052996.db2.gz SYLZOHHQMPWYOH-WMLDXEAASA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1=O ZINC001144657370 1071053076 /nfs/dbraw/zinc/05/30/76/1071053076.db2.gz SYLZOHHQMPWYOH-YOEHRIQHSA-N 1 2 404.471 -0.745 20 0 HBADLO CN1CCO[C@@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1=O ZINC001144657370 1071053068 /nfs/dbraw/zinc/05/30/68/1071053068.db2.gz SYLZOHHQMPWYOH-YOEHRIQHSA-N 1 2 404.471 -0.745 20 0 HBADLO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144700384 1071054118 /nfs/dbraw/zinc/05/41/18/1071054118.db2.gz QJEOFQNDHLTLBF-PMPSAXMXSA-N 1 2 406.487 -0.536 20 0 HBADLO CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144700384 1071054110 /nfs/dbraw/zinc/05/41/10/1071054110.db2.gz QJEOFQNDHLTLBF-PMPSAXMXSA-N 1 2 406.487 -0.536 20 0 HBADLO COc1ccc([C@H](O)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144785548 1071055235 /nfs/dbraw/zinc/05/52/35/1071055235.db2.gz HHOBGPKTIHBGQN-ULQDDVLXSA-N 1 2 415.450 -0.345 20 0 HBADLO COc1ccc([C@H](O)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144785548 1071055227 /nfs/dbraw/zinc/05/52/27/1071055227.db2.gz HHOBGPKTIHBGQN-ULQDDVLXSA-N 1 2 415.450 -0.345 20 0 HBADLO COc1ccc([C@@H](O)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144785549 1071055080 /nfs/dbraw/zinc/05/50/80/1071055080.db2.gz HHOBGPKTIHBGQN-YESZJQIVSA-N 1 2 415.450 -0.345 20 0 HBADLO COc1ccc([C@@H](O)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001144785549 1071055073 /nfs/dbraw/zinc/05/50/73/1071055073.db2.gz HHOBGPKTIHBGQN-YESZJQIVSA-N 1 2 415.450 -0.345 20 0 HBADLO COc1ccc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1O ZINC001144794656 1071055196 /nfs/dbraw/zinc/05/51/96/1071055196.db2.gz OJDVDMFHNMNJJS-GJZGRUSLSA-N 1 2 415.450 -0.130 20 0 HBADLO COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1O ZINC001144794656 1071055187 /nfs/dbraw/zinc/05/51/87/1071055187.db2.gz OJDVDMFHNMNJJS-GJZGRUSLSA-N 1 2 415.450 -0.130 20 0 HBADLO COC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144812373 1071055263 /nfs/dbraw/zinc/05/52/63/1071055263.db2.gz SECMOFLRCOBISL-UGUYLWEFSA-N 1 2 419.482 -0.107 20 0 HBADLO COC(=O)[C@H]1CCCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144812373 1071055258 /nfs/dbraw/zinc/05/52/58/1071055258.db2.gz SECMOFLRCOBISL-UGUYLWEFSA-N 1 2 419.482 -0.107 20 0 HBADLO CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144866228 1071057400 /nfs/dbraw/zinc/05/74/00/1071057400.db2.gz SROIWWGPZCIRII-KKUMJFAQSA-N 1 2 424.527 -0.829 20 0 HBADLO CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001144866228 1071057391 /nfs/dbraw/zinc/05/73/91/1071057391.db2.gz SROIWWGPZCIRII-KKUMJFAQSA-N 1 2 424.527 -0.829 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896470 1071058627 /nfs/dbraw/zinc/05/86/27/1071058627.db2.gz RVVLCRQNOOODSS-LJCCNALRSA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144896470 1071058618 /nfs/dbraw/zinc/05/86/18/1071058618.db2.gz RVVLCRQNOOODSS-LJCCNALRSA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896471 1071058787 /nfs/dbraw/zinc/05/87/87/1071058787.db2.gz RVVLCRQNOOODSS-VIPLHTEESA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144896471 1071058780 /nfs/dbraw/zinc/05/87/80/1071058780.db2.gz RVVLCRQNOOODSS-VIPLHTEESA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896472 1071058721 /nfs/dbraw/zinc/05/87/21/1071058721.db2.gz RVVLCRQNOOODSS-XLSPSMHOSA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144896472 1071058714 /nfs/dbraw/zinc/05/87/14/1071058714.db2.gz RVVLCRQNOOODSS-XLSPSMHOSA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896474 1071058542 /nfs/dbraw/zinc/05/85/42/1071058542.db2.gz RVVLCRQNOOODSS-YZLZLFLDSA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(C(=O)N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144896474 1071058537 /nfs/dbraw/zinc/05/85/37/1071058537.db2.gz RVVLCRQNOOODSS-YZLZLFLDSA-N 1 2 410.442 -0.963 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901596 1071061861 /nfs/dbraw/zinc/06/18/61/1071061861.db2.gz FCKRACIDSWMZGY-CEXWTWQISA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144901596 1071061843 /nfs/dbraw/zinc/06/18/43/1071061843.db2.gz FCKRACIDSWMZGY-CEXWTWQISA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901602 1071061985 /nfs/dbraw/zinc/06/19/85/1071061985.db2.gz FCKRACIDSWMZGY-GBESFXJTSA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144901602 1071061968 /nfs/dbraw/zinc/06/19/68/1071061968.db2.gz FCKRACIDSWMZGY-GBESFXJTSA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901605 1071062398 /nfs/dbraw/zinc/06/23/98/1071062398.db2.gz FCKRACIDSWMZGY-GUDVDZBRSA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144901605 1071062382 /nfs/dbraw/zinc/06/23/82/1071062382.db2.gz FCKRACIDSWMZGY-GUDVDZBRSA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901606 1071062554 /nfs/dbraw/zinc/06/25/54/1071062554.db2.gz FCKRACIDSWMZGY-IPMKNSEASA-N 1 2 400.431 -0.215 20 0 HBADLO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144901606 1071062542 /nfs/dbraw/zinc/06/25/42/1071062542.db2.gz FCKRACIDSWMZGY-IPMKNSEASA-N 1 2 400.431 -0.215 20 0 HBADLO COc1cccc(C[C@@H]([NH3+])C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001144943061 1071067513 /nfs/dbraw/zinc/06/75/13/1071067513.db2.gz PBVGJQGKTJSPBB-CVEARBPZSA-N 1 2 403.439 -0.394 20 0 HBADLO COc1cccc(C[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC001144943065 1071067662 /nfs/dbraw/zinc/06/76/62/1071067662.db2.gz PBVGJQGKTJSPBB-HOTGVXAUSA-N 1 2 403.439 -0.394 20 0 HBADLO COC(=O)[C@H](CCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)NC(C)=O ZINC001144956646 1071068734 /nfs/dbraw/zinc/06/87/34/1071068734.db2.gz CNKZNXXQDPYKNA-AWEZNQCLSA-N 1 2 403.443 -0.287 20 0 HBADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001146247314 1071084005 /nfs/dbraw/zinc/08/40/05/1071084005.db2.gz KJNIBCVKJVREAH-ZDUSSCGKSA-N 1 2 411.459 -0.349 20 0 HBADLO CC1(C)[C@H](C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146248585 1071084176 /nfs/dbraw/zinc/08/41/76/1071084176.db2.gz DAXXNPVSRZMJSM-CABCVRRESA-N 1 2 411.484 -0.712 20 0 HBADLO COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)c12 ZINC001146254214 1071084039 /nfs/dbraw/zinc/08/40/39/1071084039.db2.gz FFNJLLCHWVQQJM-KOLCDFICSA-N 1 2 407.408 -0.183 20 0 HBADLO COc1cc(N2CCN(C(=O)[C@@H]3N4C(=O)C[C@H]4S(=O)(=O)C3(C)C)CC2)cc[nH+]1 ZINC001146254437 1071084728 /nfs/dbraw/zinc/08/47/28/1071084728.db2.gz DNJIJKYCJXOLKC-CVEARBPZSA-N 1 2 408.480 -0.127 20 0 HBADLO CC1(C)[C@H](C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254767 1071085454 /nfs/dbraw/zinc/08/54/54/1071085454.db2.gz QOYCQMXYQWHSDJ-CVEARBPZSA-N 1 2 419.463 -0.062 20 0 HBADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C ZINC001146264322 1071087071 /nfs/dbraw/zinc/08/70/71/1071087071.db2.gz AZVVQEYARJVGNK-YUTCNCBUSA-N 1 2 412.468 -0.856 20 0 HBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C ZINC001146373411 1071088579 /nfs/dbraw/zinc/08/85/79/1071088579.db2.gz XWYGMMCGXLJKCE-PSKZRQQASA-N 1 2 423.470 -0.183 20 0 HBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)/C=C/C(=O)NCCNC(=O)OC(C)(C)C ZINC001146373412 1071088514 /nfs/dbraw/zinc/08/85/14/1071088514.db2.gz XWYGMMCGXLJKCE-UZYOAWRESA-N 1 2 423.470 -0.183 20 0 HBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146437924 1071090339 /nfs/dbraw/zinc/09/03/39/1071090339.db2.gz UHVXMVSAOZAQLS-QWHCGFSZSA-N 1 2 415.491 -0.356 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146437924 1071090332 /nfs/dbraw/zinc/09/03/32/1071090332.db2.gz UHVXMVSAOZAQLS-QWHCGFSZSA-N 1 2 415.491 -0.356 20 0 HBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146437925 1071090529 /nfs/dbraw/zinc/09/05/29/1071090529.db2.gz UHVXMVSAOZAQLS-STQMWFEESA-N 1 2 415.491 -0.356 20 0 HBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](CCCNC(N)=O)NC(=O)OC(C)(C)C ZINC001146437925 1071090522 /nfs/dbraw/zinc/09/05/22/1071090522.db2.gz UHVXMVSAOZAQLS-STQMWFEESA-N 1 2 415.491 -0.356 20 0 HBADLO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001146618469 1071094382 /nfs/dbraw/zinc/09/43/82/1071094382.db2.gz JDXPVLAKKBJDFS-BYNBJNPRSA-N 1 2 400.435 -0.272 20 0 HBADLO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001146618471 1071094311 /nfs/dbraw/zinc/09/43/11/1071094311.db2.gz JDXPVLAKKBJDFS-JGNHQEBTSA-N 1 2 400.435 -0.272 20 0 HBADLO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001146618521 1071094404 /nfs/dbraw/zinc/09/44/04/1071094404.db2.gz LMDBHJLACASENZ-GUDVDZBRSA-N 1 2 415.490 -0.608 20 0 HBADLO O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001146618521 1071094395 /nfs/dbraw/zinc/09/43/95/1071094395.db2.gz LMDBHJLACASENZ-GUDVDZBRSA-N 1 2 415.490 -0.608 20 0 HBADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)CC[C@@H]3C2)cs1 ZINC001146620826 1071095355 /nfs/dbraw/zinc/09/53/55/1071095355.db2.gz CVLBSPNHPWLOIK-NTDXCCSUSA-N 1 2 423.535 -0.086 20 0 HBADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C4=C[C@@H](O)[C@@H](O)[C@H](O)C4)CC[C@@H]3C2)cs1 ZINC001146620826 1071095339 /nfs/dbraw/zinc/09/53/39/1071095339.db2.gz CVLBSPNHPWLOIK-NTDXCCSUSA-N 1 2 423.535 -0.086 20 0 HBADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146626115 1071096570 /nfs/dbraw/zinc/09/65/70/1071096570.db2.gz AAEMHSGZHJDMHU-JRBPQWBISA-N 1 2 404.463 -0.325 20 0 HBADLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146626115 1071096563 /nfs/dbraw/zinc/09/65/63/1071096563.db2.gz AAEMHSGZHJDMHU-JRBPQWBISA-N 1 2 404.463 -0.325 20 0 HBADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146626116 1071096688 /nfs/dbraw/zinc/09/66/88/1071096688.db2.gz AAEMHSGZHJDMHU-SOAMZJECSA-N 1 2 404.463 -0.325 20 0 HBADLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146626116 1071096680 /nfs/dbraw/zinc/09/66/80/1071096680.db2.gz AAEMHSGZHJDMHU-SOAMZJECSA-N 1 2 404.463 -0.325 20 0 HBADLO COc1nn(C)cc1C(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001147019518 1071105091 /nfs/dbraw/zinc/10/50/91/1071105091.db2.gz ZCJXIGVSSKZTSZ-UHFFFAOYSA-N 1 2 401.471 -0.252 20 0 HBADLO O=C(/C=C/C[NH+]1CCOCC1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001147243817 1071107500 /nfs/dbraw/zinc/10/75/00/1071107500.db2.gz NCTMAEVWMSYDTP-OWOJBTEDSA-N 1 2 401.529 -0.036 20 0 HBADLO O=C(/C=C\C[NH+]1CCOCC1)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC001147243818 1071107577 /nfs/dbraw/zinc/10/75/77/1071107577.db2.gz NCTMAEVWMSYDTP-UPHRSURJSA-N 1 2 401.529 -0.036 20 0 HBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001147350841 1071109947 /nfs/dbraw/zinc/10/99/47/1071109947.db2.gz DHZNJJLAKLSSEN-ABHRYQDASA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147350841 1071109943 /nfs/dbraw/zinc/10/99/43/1071109943.db2.gz DHZNJJLAKLSSEN-ABHRYQDASA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)[C@H]1CN(C)CC[N@H+]1C ZINC001147350844 1071109874 /nfs/dbraw/zinc/10/98/74/1071109874.db2.gz DHZNJJLAKLSSEN-COMQUAJESA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)[C@H]1CN(C)CC[N@@H+]1C ZINC001147350844 1071109867 /nfs/dbraw/zinc/10/98/67/1071109867.db2.gz DHZNJJLAKLSSEN-COMQUAJESA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)[C@@H]1CN(C)CC[N@H+]1C ZINC001147350846 1071110034 /nfs/dbraw/zinc/11/00/34/1071110034.db2.gz DHZNJJLAKLSSEN-OSFYFWSMSA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147350846 1071110028 /nfs/dbraw/zinc/11/00/28/1071110028.db2.gz DHZNJJLAKLSSEN-OSFYFWSMSA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001147350848 1071111016 /nfs/dbraw/zinc/11/10/16/1071111016.db2.gz DHZNJJLAKLSSEN-XPCVCDNBSA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001147350848 1071111011 /nfs/dbraw/zinc/11/10/11/1071111011.db2.gz DHZNJJLAKLSSEN-XPCVCDNBSA-N 1 2 404.558 -0.474 20 0 HBADLO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CN(C)CC[N@H+]1C ZINC001147352471 1071108988 /nfs/dbraw/zinc/10/89/88/1071108988.db2.gz MDDFEWCEEUQBDN-DVOMOZLQSA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@H]1CN(C)CC[N@@H+]1C ZINC001147352471 1071108980 /nfs/dbraw/zinc/10/89/80/1071108980.db2.gz MDDFEWCEEUQBDN-DVOMOZLQSA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001147352475 1071109026 /nfs/dbraw/zinc/10/90/26/1071109026.db2.gz MDDFEWCEEUQBDN-HEHGZKQESA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001147352475 1071109022 /nfs/dbraw/zinc/10/90/22/1071109022.db2.gz MDDFEWCEEUQBDN-HEHGZKQESA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CN(C)CC[N@H+]1C ZINC001147352477 1071109188 /nfs/dbraw/zinc/10/91/88/1071109188.db2.gz MDDFEWCEEUQBDN-WWGRRREGSA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147352477 1071109182 /nfs/dbraw/zinc/10/91/82/1071109182.db2.gz MDDFEWCEEUQBDN-WWGRRREGSA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001147352478 1071109100 /nfs/dbraw/zinc/10/91/00/1071109100.db2.gz MDDFEWCEEUQBDN-XEZPLFJOSA-N 1 2 411.528 -0.797 20 0 HBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147352478 1071109092 /nfs/dbraw/zinc/10/90/92/1071109092.db2.gz MDDFEWCEEUQBDN-XEZPLFJOSA-N 1 2 411.528 -0.797 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001147353541 1071109291 /nfs/dbraw/zinc/10/92/91/1071109291.db2.gz YIDMDUORHPFHGG-KYOSRNDESA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147353541 1071109286 /nfs/dbraw/zinc/10/92/86/1071109286.db2.gz YIDMDUORHPFHGG-KYOSRNDESA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001147353542 1071109140 /nfs/dbraw/zinc/10/91/40/1071109140.db2.gz YIDMDUORHPFHGG-LNSITVRQSA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001147353542 1071109135 /nfs/dbraw/zinc/10/91/35/1071109135.db2.gz YIDMDUORHPFHGG-LNSITVRQSA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001147353543 1071108814 /nfs/dbraw/zinc/10/88/14/1071108814.db2.gz YIDMDUORHPFHGG-NJZAAPMLSA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001147353543 1071108810 /nfs/dbraw/zinc/10/88/10/1071108810.db2.gz YIDMDUORHPFHGG-NJZAAPMLSA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001147353544 1071108917 /nfs/dbraw/zinc/10/89/17/1071108917.db2.gz YIDMDUORHPFHGG-UXIGCNINSA-N 1 2 400.549 -0.546 20 0 HBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001147353544 1071108907 /nfs/dbraw/zinc/10/89/07/1071108907.db2.gz YIDMDUORHPFHGG-UXIGCNINSA-N 1 2 400.549 -0.546 20 0 HBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2n(n1)CCNC2=O ZINC001147543183 1071113477 /nfs/dbraw/zinc/11/34/77/1071113477.db2.gz BXFWEBKPYYAZRR-BFUOFWGJSA-N 1 2 405.455 -0.505 20 0 HBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2n(n1)CCNC2=O ZINC001147543184 1071113442 /nfs/dbraw/zinc/11/34/42/1071113442.db2.gz BXFWEBKPYYAZRR-DJJJIMSYSA-N 1 2 405.455 -0.505 20 0 HBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2n(n1)CCNC2=O ZINC001147543185 1071113331 /nfs/dbraw/zinc/11/33/31/1071113331.db2.gz BXFWEBKPYYAZRR-ORAYPTAESA-N 1 2 405.455 -0.505 20 0 HBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)c1cc2n(n1)CCNC2=O ZINC001147543186 1071113388 /nfs/dbraw/zinc/11/33/88/1071113388.db2.gz BXFWEBKPYYAZRR-YJYMSZOUSA-N 1 2 405.455 -0.505 20 0 HBADLO O=C(c1cc2n(n1)CCNC2=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001147544794 1071114873 /nfs/dbraw/zinc/11/48/73/1071114873.db2.gz YIAPHGXVKWKFBJ-UHFFFAOYSA-N 1 2 408.422 -0.526 20 0 HBADLO O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001147608223 1071118739 /nfs/dbraw/zinc/11/87/39/1071118739.db2.gz IIFLKTSFCRACOL-INIZCTEOSA-N 1 2 413.471 -0.302 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1c[nH]c(=O)cn1)C2 ZINC001147621255 1071117314 /nfs/dbraw/zinc/11/73/14/1071117314.db2.gz ISWLCSRAGPGNER-AWEZNQCLSA-N 1 2 402.455 -0.408 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1c[nH]c(=O)cn1)C2 ZINC001147621256 1071117360 /nfs/dbraw/zinc/11/73/60/1071117360.db2.gz ISWLCSRAGPGNER-CQSZACIVSA-N 1 2 402.455 -0.408 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2 ZINC001147692012 1071119646 /nfs/dbraw/zinc/11/96/46/1071119646.db2.gz DWXZUZJQZSORKH-CYBMUJFWSA-N 1 2 418.454 -0.290 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2 ZINC001147692013 1071119436 /nfs/dbraw/zinc/11/94/36/1071119436.db2.gz DWXZUZJQZSORKH-ZDUSSCGKSA-N 1 2 418.454 -0.290 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)CC2 ZINC001147692016 1071119525 /nfs/dbraw/zinc/11/95/25/1071119525.db2.gz DYBWGYQXCIXDIR-UHFFFAOYSA-N 1 2 401.427 -0.793 20 0 HBADLO COc1c[nH]c(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)cc1=O ZINC001147736588 1071122628 /nfs/dbraw/zinc/12/26/28/1071122628.db2.gz ZKOKUSUJVCYFGC-UHFFFAOYSA-N 1 2 400.439 -0.028 20 0 HBADLO COc1c[nH]c(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)cc1=O ZINC001147736588 1071122621 /nfs/dbraw/zinc/12/26/21/1071122621.db2.gz ZKOKUSUJVCYFGC-UHFFFAOYSA-N 1 2 400.439 -0.028 20 0 HBADLO Cn1nc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Br ZINC001147763598 1071121621 /nfs/dbraw/zinc/12/16/21/1071121621.db2.gz DSRKGSJEIOICKK-LLVKDONJSA-N 1 2 400.277 -0.155 20 0 HBADLO Cn1nc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Br ZINC001147763600 1071121771 /nfs/dbraw/zinc/12/17/71/1071121771.db2.gz DSRKGSJEIOICKK-NSHDSACASA-N 1 2 400.277 -0.155 20 0 HBADLO COCCNc1nc(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001147765410 1071121696 /nfs/dbraw/zinc/12/16/96/1071121696.db2.gz UEQQJEPHMDLUND-AWEZNQCLSA-N 1 2 411.528 -0.207 20 0 HBADLO COCCNc1nc(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001147765414 1071121731 /nfs/dbraw/zinc/12/17/31/1071121731.db2.gz UEQQJEPHMDLUND-CQSZACIVSA-N 1 2 411.528 -0.207 20 0 HBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)C(=O)NCCO2 ZINC001147765491 1071121600 /nfs/dbraw/zinc/12/16/00/1071121600.db2.gz UVYFTYSBZLZTHU-HNNXBMFYSA-N 1 2 402.451 -0.528 20 0 HBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc2c(c1)C(=O)NCCO2 ZINC001147765493 1071121801 /nfs/dbraw/zinc/12/18/01/1071121801.db2.gz UVYFTYSBZLZTHU-OAHLLOKOSA-N 1 2 402.451 -0.528 20 0 HBADLO CCOC(=O)C1(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001147766065 1071121685 /nfs/dbraw/zinc/12/16/85/1071121685.db2.gz ZSNAPPSIWHEJRZ-INIZCTEOSA-N 1 2 411.499 -0.214 20 0 HBADLO CCOC(=O)C1(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCOCC1 ZINC001147766067 1071121647 /nfs/dbraw/zinc/12/16/47/1071121647.db2.gz ZSNAPPSIWHEJRZ-MRXNPFEDSA-N 1 2 411.499 -0.214 20 0 HBADLO COc1ccc(F)c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001147784400 1071126832 /nfs/dbraw/zinc/12/68/32/1071126832.db2.gz VEHVRSXJPKXIQF-STQMWFEESA-N 1 2 404.402 -0.230 20 0 HBADLO COc1ccc(F)c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001147784400 1071126828 /nfs/dbraw/zinc/12/68/28/1071126828.db2.gz VEHVRSXJPKXIQF-STQMWFEESA-N 1 2 404.402 -0.230 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001147820711 1071127033 /nfs/dbraw/zinc/12/70/33/1071127033.db2.gz GHSLDGHTDZNEEJ-INIZCTEOSA-N 1 2 403.526 -0.330 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001147820711 1071127030 /nfs/dbraw/zinc/12/70/30/1071127030.db2.gz GHSLDGHTDZNEEJ-INIZCTEOSA-N 1 2 403.526 -0.330 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001147820712 1071127138 /nfs/dbraw/zinc/12/71/38/1071127138.db2.gz GHSLDGHTDZNEEJ-MRXNPFEDSA-N 1 2 403.526 -0.330 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(S(N)(=O)=O)s1 ZINC001147820712 1071127127 /nfs/dbraw/zinc/12/71/27/1071127127.db2.gz GHSLDGHTDZNEEJ-MRXNPFEDSA-N 1 2 403.526 -0.330 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001147823148 1071127060 /nfs/dbraw/zinc/12/70/60/1071127060.db2.gz RCBUCHUBPLBHBI-GOSISDBHSA-N 1 2 403.545 -0.076 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001147823148 1071127053 /nfs/dbraw/zinc/12/70/53/1071127053.db2.gz RCBUCHUBPLBHBI-GOSISDBHSA-N 1 2 403.545 -0.076 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001147823149 1071126958 /nfs/dbraw/zinc/12/69/58/1071126958.db2.gz RCBUCHUBPLBHBI-SFHVURJKSA-N 1 2 403.545 -0.076 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCS(=O)(=O)N1CCCC1 ZINC001147823149 1071126949 /nfs/dbraw/zinc/12/69/49/1071126949.db2.gz RCBUCHUBPLBHBI-SFHVURJKSA-N 1 2 403.545 -0.076 20 0 HBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001147824121 1071128199 /nfs/dbraw/zinc/12/81/99/1071128199.db2.gz WWECGFPQAZBRDE-PBHICJAKSA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001147824121 1071128193 /nfs/dbraw/zinc/12/81/93/1071128193.db2.gz WWECGFPQAZBRDE-PBHICJAKSA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001147824123 1071127997 /nfs/dbraw/zinc/12/79/97/1071127997.db2.gz WWECGFPQAZBRDE-RHSMWYFYSA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001147824123 1071127989 /nfs/dbraw/zinc/12/79/89/1071127989.db2.gz WWECGFPQAZBRDE-RHSMWYFYSA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001147824125 1071128110 /nfs/dbraw/zinc/12/81/10/1071128110.db2.gz WWECGFPQAZBRDE-WMLDXEAASA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001147824125 1071128103 /nfs/dbraw/zinc/12/81/03/1071128103.db2.gz WWECGFPQAZBRDE-WMLDXEAASA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001147824126 1071128215 /nfs/dbraw/zinc/12/82/15/1071128215.db2.gz WWECGFPQAZBRDE-YOEHRIQHSA-N 1 2 423.601 -0.221 20 0 HBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001147824126 1071128212 /nfs/dbraw/zinc/12/82/12/1071128212.db2.gz WWECGFPQAZBRDE-YOEHRIQHSA-N 1 2 423.601 -0.221 20 0 HBADLO CC(=O)Nc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccn1 ZINC001147831650 1071128179 /nfs/dbraw/zinc/12/81/79/1071128179.db2.gz DTFDSDQHAAKPTR-GJZGRUSLSA-N 1 2 413.438 -0.420 20 0 HBADLO CC(=O)Nc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccn1 ZINC001147831650 1071128176 /nfs/dbraw/zinc/12/81/76/1071128176.db2.gz DTFDSDQHAAKPTR-GJZGRUSLSA-N 1 2 413.438 -0.420 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001147832125 1071128129 /nfs/dbraw/zinc/12/81/29/1071128129.db2.gz NTRGQWGREQOZSS-GOSISDBHSA-N 1 2 403.545 -0.220 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001147832125 1071128127 /nfs/dbraw/zinc/12/81/27/1071128127.db2.gz NTRGQWGREQOZSS-GOSISDBHSA-N 1 2 403.545 -0.220 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001147832126 1071128230 /nfs/dbraw/zinc/12/82/30/1071128230.db2.gz NTRGQWGREQOZSS-SFHVURJKSA-N 1 2 403.545 -0.220 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC001147832126 1071128225 /nfs/dbraw/zinc/12/82/25/1071128225.db2.gz NTRGQWGREQOZSS-SFHVURJKSA-N 1 2 403.545 -0.220 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001147832492 1071128091 /nfs/dbraw/zinc/12/80/91/1071128091.db2.gz YHFSHITVBFOYTQ-FQEVSTJZSA-N 1 2 413.515 -0.186 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001147832492 1071128086 /nfs/dbraw/zinc/12/80/86/1071128086.db2.gz YHFSHITVBFOYTQ-FQEVSTJZSA-N 1 2 413.515 -0.186 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001147832493 1071129107 /nfs/dbraw/zinc/12/91/07/1071129107.db2.gz YHFSHITVBFOYTQ-HXUWFJFHSA-N 1 2 413.515 -0.186 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCOC(=O)CNC(=O)C(C)(C)C ZINC001147832493 1071129102 /nfs/dbraw/zinc/12/91/02/1071129102.db2.gz YHFSHITVBFOYTQ-HXUWFJFHSA-N 1 2 413.515 -0.186 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3c(CO)cnc(C)c3O)C2)C1 ZINC001147835269 1071128880 /nfs/dbraw/zinc/12/88/80/1071128880.db2.gz BLGXTWNJIFAKIR-FQEVSTJZSA-N 1 2 406.483 -0.111 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3c(CO)cnc(C)c3O)C2)C1 ZINC001147835269 1071128867 /nfs/dbraw/zinc/12/88/67/1071128867.db2.gz BLGXTWNJIFAKIR-FQEVSTJZSA-N 1 2 406.483 -0.111 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3c(CO)cnc(C)c3O)C2)C1 ZINC001147835270 1071128981 /nfs/dbraw/zinc/12/89/81/1071128981.db2.gz BLGXTWNJIFAKIR-HXUWFJFHSA-N 1 2 406.483 -0.111 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3c(CO)cnc(C)c3O)C2)C1 ZINC001147835270 1071128973 /nfs/dbraw/zinc/12/89/73/1071128973.db2.gz BLGXTWNJIFAKIR-HXUWFJFHSA-N 1 2 406.483 -0.111 20 0 HBADLO O=C(N[C@@H](CO)C(=O)N1CC[NH+](CCn2cncn2)CC1)OCc1ccccc1 ZINC001147844157 1071129052 /nfs/dbraw/zinc/12/90/52/1071129052.db2.gz XHZFSPCQNDKLNX-KRWDZBQOSA-N 1 2 402.455 -0.290 20 0 HBADLO O=C(N[C@H](CO)C(=O)N1CC[NH+](CCn2cncn2)CC1)OCc1ccccc1 ZINC001147844158 1071129011 /nfs/dbraw/zinc/12/90/11/1071129011.db2.gz XHZFSPCQNDKLNX-QGZVFWFLSA-N 1 2 402.455 -0.290 20 0 HBADLO COc1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1O ZINC001148212521 1071136770 /nfs/dbraw/zinc/13/67/70/1071136770.db2.gz BJGLLTPZGFRBKT-KBPBESRZSA-N 1 2 401.423 -0.059 20 0 HBADLO COc1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1O ZINC001148212521 1071136767 /nfs/dbraw/zinc/13/67/67/1071136767.db2.gz BJGLLTPZGFRBKT-KBPBESRZSA-N 1 2 401.423 -0.059 20 0 HBADLO COc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1O ZINC001148271703 1071138241 /nfs/dbraw/zinc/13/82/41/1071138241.db2.gz YXDHBLQOHBNEKC-KBPBESRZSA-N 1 2 401.423 -0.059 20 0 HBADLO COc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1O ZINC001148271703 1071138236 /nfs/dbraw/zinc/13/82/36/1071138236.db2.gz YXDHBLQOHBNEKC-KBPBESRZSA-N 1 2 401.423 -0.059 20 0 HBADLO C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)CC1 ZINC001148276313 1071138380 /nfs/dbraw/zinc/13/83/80/1071138380.db2.gz ZGBQUVUYXYPHPP-UHFFFAOYSA-N 1 2 402.455 -0.204 20 0 HBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001148300739 1071137459 /nfs/dbraw/zinc/13/74/59/1071137459.db2.gz JGHCHKCJLBYDTD-AWEZNQCLSA-N 1 2 413.496 -0.476 20 0 HBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001148300739 1071137456 /nfs/dbraw/zinc/13/74/56/1071137456.db2.gz JGHCHKCJLBYDTD-AWEZNQCLSA-N 1 2 413.496 -0.476 20 0 HBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001148300740 1071137469 /nfs/dbraw/zinc/13/74/69/1071137469.db2.gz JGHCHKCJLBYDTD-CQSZACIVSA-N 1 2 413.496 -0.476 20 0 HBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001148300740 1071137466 /nfs/dbraw/zinc/13/74/66/1071137466.db2.gz JGHCHKCJLBYDTD-CQSZACIVSA-N 1 2 413.496 -0.476 20 0 HBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1 ZINC001148301496 1071137443 /nfs/dbraw/zinc/13/74/43/1071137443.db2.gz VFFSIBFZFIVTJM-UHFFFAOYSA-N 1 2 413.496 -0.522 20 0 HBADLO CN(CCO)S(=O)(=O)c1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1 ZINC001148301496 1071137442 /nfs/dbraw/zinc/13/74/42/1071137442.db2.gz VFFSIBFZFIVTJM-UHFFFAOYSA-N 1 2 413.496 -0.522 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc2ccccc2[nH]c1=O ZINC001151863698 1071639113 /nfs/dbraw/zinc/63/91/13/1071639113.db2.gz TZVSEKWLIGQLAL-GJZGRUSLSA-N 1 2 423.433 -0.536 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc2ccccc2[nH]c1=O ZINC001151863698 1071639108 /nfs/dbraw/zinc/63/91/08/1071639108.db2.gz TZVSEKWLIGQLAL-GJZGRUSLSA-N 1 2 423.433 -0.536 20 0 HBADLO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@@H+]2C ZINC001164639078 719277033 /nfs/dbraw/zinc/27/70/33/719277033.db2.gz HBGRUKMGNQJALV-UHFFFAOYSA-N 1 2 411.528 -0.251 20 0 HBADLO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)C(=O)N(CCOC)CC[N@H+]2C ZINC001164639078 719277027 /nfs/dbraw/zinc/27/70/27/719277027.db2.gz HBGRUKMGNQJALV-UHFFFAOYSA-N 1 2 411.528 -0.251 20 0 HBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncc4c(n3)N(C)CC(=O)N4)CC2)C1=O ZINC001164642201 719276609 /nfs/dbraw/zinc/27/66/09/719276609.db2.gz YKPWKBLPCAYREH-UHFFFAOYSA-N 1 2 403.487 -0.376 20 0 HBADLO COCCN1CC[N@H+](C)C2(CCN(c3ncc4c(n3)N(C)CC(=O)N4)CC2)C1=O ZINC001164642201 719276607 /nfs/dbraw/zinc/27/66/07/719276607.db2.gz YKPWKBLPCAYREH-UHFFFAOYSA-N 1 2 403.487 -0.376 20 0 HBADLO CNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1 ZINC001164644871 719279905 /nfs/dbraw/zinc/27/99/05/719279905.db2.gz VLBDFPHYVMUODL-UHFFFAOYSA-N 1 2 411.528 -0.251 20 0 HBADLO CNS(=O)(=O)c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1 ZINC001164644871 719279904 /nfs/dbraw/zinc/27/99/04/719279904.db2.gz VLBDFPHYVMUODL-UHFFFAOYSA-N 1 2 411.528 -0.251 20 0 HBADLO CN1CCN(c2ccc(N(Cc3noc4c3C[NH2+]CC4)S(C)(=O)=O)nn2)CC1 ZINC001164654720 719327244 /nfs/dbraw/zinc/32/72/44/719327244.db2.gz MSHRLMFEFODZLI-UHFFFAOYSA-N 1 2 407.500 -0.172 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)ncc1C(N)=O)CC2 ZINC001164702564 720047485 /nfs/dbraw/zinc/04/74/85/720047485.db2.gz HCKPWDLMENWVQW-UHFFFAOYSA-N 1 2 418.889 -0.087 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164704166 719937274 /nfs/dbraw/zinc/93/72/74/719937274.db2.gz ODKYRGGMGFEDQL-UHFFFAOYSA-N 1 2 419.511 -0.587 20 0 HBADLO Cc1cc2c(c(N3CCc4c(C(=O)N5CC[NH+](C)CC5)nn(C)c4C3)n1)C(=O)NC2=O ZINC001164708287 719922371 /nfs/dbraw/zinc/92/23/71/719922371.db2.gz HMCMSWCHIOFBRO-UHFFFAOYSA-N 1 2 423.477 -0.043 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164708413 719905986 /nfs/dbraw/zinc/90/59/86/719905986.db2.gz CSYHTINNEKOYSI-UHFFFAOYSA-N 1 2 419.511 -0.587 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncc(Cl)nc1C(N)=O)CC2 ZINC001164708429 719912707 /nfs/dbraw/zinc/91/27/07/719912707.db2.gz CYMJSMMQXTWZFI-UHFFFAOYSA-N 1 2 418.889 -0.087 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164708606 719931388 /nfs/dbraw/zinc/93/13/88/719931388.db2.gz MZVXDGKJYIMUGR-UHFFFAOYSA-N 1 2 419.511 -0.587 20 0 HBADLO CN(C)C(=O)c1cncc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001164708637 719928303 /nfs/dbraw/zinc/92/83/03/719928303.db2.gz NXKLCHVWPXRWLB-UHFFFAOYSA-N 1 2 412.498 -0.138 20 0 HBADLO CCNC(=O)c1ccc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nn1 ZINC001164708763 719932408 /nfs/dbraw/zinc/93/24/08/719932408.db2.gz PDGLFSSIDKRULX-UHFFFAOYSA-N 1 2 412.498 -0.090 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cncc(-n3cncn3)n1)CC2 ZINC001164708828 719928601 /nfs/dbraw/zinc/92/86/01/719928601.db2.gz SYLMQVAKHTYPLS-UHFFFAOYSA-N 1 2 408.470 -0.259 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164709242 719912269 /nfs/dbraw/zinc/91/22/69/719912269.db2.gz RFQVCTLTHNYQSX-UHFFFAOYSA-N 1 2 418.889 -0.087 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164709521 719903414 /nfs/dbraw/zinc/90/34/14/719903414.db2.gz XVKLTZSHMCLERZ-UHFFFAOYSA-N 1 2 418.889 -0.087 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164709651 719903684 /nfs/dbraw/zinc/90/36/84/719903684.db2.gz ZHOJGJCWCHAZNI-UHFFFAOYSA-N 1 2 418.889 -0.087 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cccc(S(N)(=O)=O)n1)CC2 ZINC001164716461 720048957 /nfs/dbraw/zinc/04/89/57/720048957.db2.gz WMWSLRUNMNXMQA-UHFFFAOYSA-N 1 2 419.511 -0.587 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)N(C)CC(=O)N4)C2)C1 ZINC001164720524 720261796 /nfs/dbraw/zinc/26/17/96/720261796.db2.gz XULCKAIJRRGARX-IBGZPJMESA-N 1 2 403.487 -0.470 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)N(C)CC(=O)N4)C2)C1 ZINC001164720524 720261786 /nfs/dbraw/zinc/26/17/86/720261786.db2.gz XULCKAIJRRGARX-IBGZPJMESA-N 1 2 403.487 -0.470 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)N(C)CC(=O)N4)C2)C1 ZINC001164720525 720262246 /nfs/dbraw/zinc/26/22/46/720262246.db2.gz XULCKAIJRRGARX-LJQANCHMSA-N 1 2 403.487 -0.470 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)N(C)CC(=O)N4)C2)C1 ZINC001164720525 720262240 /nfs/dbraw/zinc/26/22/40/720262240.db2.gz XULCKAIJRRGARX-LJQANCHMSA-N 1 2 403.487 -0.470 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc4c3C(=O)NC4=O)C2)C1 ZINC001164723230 720280857 /nfs/dbraw/zinc/28/08/57/720280857.db2.gz UYBZHSHLRSWPDN-FQEVSTJZSA-N 1 2 401.467 -0.062 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)cc4c3C(=O)NC4=O)C2)C1 ZINC001164723230 720280849 /nfs/dbraw/zinc/28/08/49/720280849.db2.gz UYBZHSHLRSWPDN-FQEVSTJZSA-N 1 2 401.467 -0.062 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc4c3C(=O)NC4=O)C2)C1 ZINC001164723231 720280210 /nfs/dbraw/zinc/28/02/10/720280210.db2.gz UYBZHSHLRSWPDN-HXUWFJFHSA-N 1 2 401.467 -0.062 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc4c3C(=O)NC4=O)C2)C1 ZINC001164723231 720280198 /nfs/dbraw/zinc/28/01/98/720280198.db2.gz UYBZHSHLRSWPDN-HXUWFJFHSA-N 1 2 401.467 -0.062 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3S(=O)(=O)NC)C2)C1 ZINC001164723805 720264814 /nfs/dbraw/zinc/26/48/14/720264814.db2.gz YCJMYRHKCSNIAC-GOSISDBHSA-N 1 2 411.528 -0.346 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3S(=O)(=O)NC)C2)C1 ZINC001164723805 720264806 /nfs/dbraw/zinc/26/48/06/720264806.db2.gz YCJMYRHKCSNIAC-GOSISDBHSA-N 1 2 411.528 -0.346 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3S(=O)(=O)NC)C2)C1 ZINC001164723809 720266047 /nfs/dbraw/zinc/26/60/47/720266047.db2.gz YCJMYRHKCSNIAC-SFHVURJKSA-N 1 2 411.528 -0.346 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3S(=O)(=O)NC)C2)C1 ZINC001164723809 720266036 /nfs/dbraw/zinc/26/60/36/720266036.db2.gz YCJMYRHKCSNIAC-SFHVURJKSA-N 1 2 411.528 -0.346 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3F)C2)C1 ZINC001164723870 720308707 /nfs/dbraw/zinc/30/87/07/720308707.db2.gz PPYIXTCVDUPOOA-KRWDZBQOSA-N 1 2 415.491 -0.467 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(S(N)(=O)=O)cc3F)C2)C1 ZINC001164723870 720308703 /nfs/dbraw/zinc/30/87/03/720308703.db2.gz PPYIXTCVDUPOOA-KRWDZBQOSA-N 1 2 415.491 -0.467 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncc(S(N)(=O)=O)cc3F)C2)C1 ZINC001164723874 720308494 /nfs/dbraw/zinc/30/84/94/720308494.db2.gz PPYIXTCVDUPOOA-QGZVFWFLSA-N 1 2 415.491 -0.467 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(S(N)(=O)=O)cc3F)C2)C1 ZINC001164723874 720308488 /nfs/dbraw/zinc/30/84/88/720308488.db2.gz PPYIXTCVDUPOOA-QGZVFWFLSA-N 1 2 415.491 -0.467 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(C(=O)OC)c3OC)C2)C1 ZINC001164726446 720309819 /nfs/dbraw/zinc/30/98/19/720309819.db2.gz ZCSBXWBQUDGNQS-IBGZPJMESA-N 1 2 407.471 -0.063 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(C(=O)OC)c3OC)C2)C1 ZINC001164726446 720309814 /nfs/dbraw/zinc/30/98/14/720309814.db2.gz ZCSBXWBQUDGNQS-IBGZPJMESA-N 1 2 407.471 -0.063 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(C(=O)OC)c3OC)C2)C1 ZINC001164726447 720309326 /nfs/dbraw/zinc/30/93/26/720309326.db2.gz ZCSBXWBQUDGNQS-LJQANCHMSA-N 1 2 407.471 -0.063 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(C(=O)OC)c3OC)C2)C1 ZINC001164726447 720309319 /nfs/dbraw/zinc/30/93/19/720309319.db2.gz ZCSBXWBQUDGNQS-LJQANCHMSA-N 1 2 407.471 -0.063 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(N)=O)nn1)C2 ZINC001164822713 720438212 /nfs/dbraw/zinc/43/82/12/720438212.db2.gz HAWXQDCGQHADFK-AWEZNQCLSA-N 1 2 401.471 -0.238 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(C(N)=O)nn1)C2 ZINC001164822714 720438223 /nfs/dbraw/zinc/43/82/23/720438223.db2.gz HAWXQDCGQHADFK-CQSZACIVSA-N 1 2 401.471 -0.238 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(N)=O)n1)C2 ZINC001164826985 720437012 /nfs/dbraw/zinc/43/70/12/720437012.db2.gz XRKCVIOXPAYIGR-AWEZNQCLSA-N 1 2 401.471 -0.238 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1nccc(C(N)=O)n1)C2 ZINC001164826986 720436746 /nfs/dbraw/zinc/43/67/46/720436746.db2.gz XRKCVIOXPAYIGR-CQSZACIVSA-N 1 2 401.471 -0.238 20 0 HBADLO NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913941 721798302 /nfs/dbraw/zinc/79/83/02/721798302.db2.gz IYAXEUQSQZSJFZ-GOSISDBHSA-N 1 2 420.495 -0.373 20 0 HBADLO NS(=O)(=O)c1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913941 721798298 /nfs/dbraw/zinc/79/82/98/721798298.db2.gz IYAXEUQSQZSJFZ-GOSISDBHSA-N 1 2 420.495 -0.373 20 0 HBADLO NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nn1 ZINC001164913942 721798161 /nfs/dbraw/zinc/79/81/61/721798161.db2.gz IYAXEUQSQZSJFZ-SFHVURJKSA-N 1 2 420.495 -0.373 20 0 HBADLO NS(=O)(=O)c1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nn1 ZINC001164913942 721798160 /nfs/dbraw/zinc/79/81/60/721798160.db2.gz IYAXEUQSQZSJFZ-SFHVURJKSA-N 1 2 420.495 -0.373 20 0 HBADLO O=C(C1CCC1)N1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001167054700 1068225158 /nfs/dbraw/zinc/22/51/58/1068225158.db2.gz NDRWBLNXOPUJCL-UHFFFAOYSA-N 1 2 417.514 -0.007 20 0 HBADLO O=C(C1CCC1)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001167054700 1068225150 /nfs/dbraw/zinc/22/51/50/1068225150.db2.gz NDRWBLNXOPUJCL-UHFFFAOYSA-N 1 2 417.514 -0.007 20 0 HBADLO CN(c1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1)C1CCS(=O)(=O)CC1 ZINC001167100273 1068274364 /nfs/dbraw/zinc/27/43/64/1068274364.db2.gz QBCRYHMUXZGWDB-UHFFFAOYSA-N 1 2 412.516 -0.442 20 0 HBADLO CN(c1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1)C1CCS(=O)(=O)CC1 ZINC001167100273 1068274357 /nfs/dbraw/zinc/27/43/57/1068274357.db2.gz QBCRYHMUXZGWDB-UHFFFAOYSA-N 1 2 412.516 -0.442 20 0 HBADLO CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccn4)CC3)C[C@H]21 ZINC001167104662 1068279589 /nfs/dbraw/zinc/27/95/89/1068279589.db2.gz FHKNXWWQFCVOJK-BBWFWOEESA-N 1 2 408.524 -0.136 20 0 HBADLO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)C2 ZINC001167197288 1068299985 /nfs/dbraw/zinc/29/99/85/1068299985.db2.gz GJMXTCMCQUDKOA-NEPJUHHUSA-N 1 2 409.468 -0.903 20 0 HBADLO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)C2 ZINC001167197289 1068300193 /nfs/dbraw/zinc/30/01/93/1068300193.db2.gz GJMXTCMCQUDKOA-NWDGAFQWSA-N 1 2 409.468 -0.903 20 0 HBADLO COC(=O)[C@@H]1CCS(=O)(=O)C12CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)C2 ZINC001167197290 1068300139 /nfs/dbraw/zinc/30/01/39/1068300139.db2.gz GJMXTCMCQUDKOA-RYUDHWBXSA-N 1 2 409.468 -0.903 20 0 HBADLO COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)C2 ZINC001167197291 1068300015 /nfs/dbraw/zinc/30/00/15/1068300015.db2.gz GJMXTCMCQUDKOA-VXGBXAGGSA-N 1 2 409.468 -0.903 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001167203964 1068301072 /nfs/dbraw/zinc/30/10/72/1068301072.db2.gz FJGJZTIFYQLKNS-IBGZPJMESA-N 1 2 408.499 -0.027 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001167203964 1068301055 /nfs/dbraw/zinc/30/10/55/1068301055.db2.gz FJGJZTIFYQLKNS-IBGZPJMESA-N 1 2 408.499 -0.027 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001167203965 1068300928 /nfs/dbraw/zinc/30/09/28/1068300928.db2.gz FJGJZTIFYQLKNS-LJQANCHMSA-N 1 2 408.499 -0.027 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)CCN1C(=O)NC2(CCCC2)C1=O ZINC001167203965 1068300916 /nfs/dbraw/zinc/30/09/16/1068300916.db2.gz FJGJZTIFYQLKNS-LJQANCHMSA-N 1 2 408.499 -0.027 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001167214227 1068302681 /nfs/dbraw/zinc/30/26/81/1068302681.db2.gz KJCCTCRBVBTKGT-FQEVSTJZSA-N 1 2 403.483 -0.637 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001167214227 1068302664 /nfs/dbraw/zinc/30/26/64/1068302664.db2.gz KJCCTCRBVBTKGT-FQEVSTJZSA-N 1 2 403.483 -0.637 20 0 HBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001167214234 1068302727 /nfs/dbraw/zinc/30/27/27/1068302727.db2.gz KJCCTCRBVBTKGT-HXUWFJFHSA-N 1 2 403.483 -0.637 20 0 HBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC001167214234 1068302707 /nfs/dbraw/zinc/30/27/07/1068302707.db2.gz KJCCTCRBVBTKGT-HXUWFJFHSA-N 1 2 403.483 -0.637 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001167216537 1068303277 /nfs/dbraw/zinc/30/32/77/1068303277.db2.gz YCWDRMONZSPSFL-ARFHVFGLSA-N 1 2 416.544 -0.856 20 0 HBADLO CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001167216538 1068303426 /nfs/dbraw/zinc/30/34/26/1068303426.db2.gz YCWDRMONZSPSFL-BZUAXINKSA-N 1 2 416.544 -0.856 20 0 HBADLO COCCNS(=O)(=O)c1cccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)c1 ZINC001167470256 1068498095 /nfs/dbraw/zinc/49/80/95/1068498095.db2.gz MOWGERITQISYFB-UHFFFAOYSA-N 1 2 413.496 -0.210 20 0 HBADLO COCCNS(=O)(=O)c1cccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)c1 ZINC001167470256 1068498090 /nfs/dbraw/zinc/49/80/90/1068498090.db2.gz MOWGERITQISYFB-UHFFFAOYSA-N 1 2 413.496 -0.210 20 0 HBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001167470366 1068498161 /nfs/dbraw/zinc/49/81/61/1068498161.db2.gz PVTYQBRESKBSHH-UHFFFAOYSA-N 1 2 421.498 -0.175 20 0 HBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001167470366 1068498157 /nfs/dbraw/zinc/49/81/57/1068498157.db2.gz PVTYQBRESKBSHH-UHFFFAOYSA-N 1 2 421.498 -0.175 20 0 HBADLO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001167470466 1068497969 /nfs/dbraw/zinc/49/79/69/1068497969.db2.gz RZLLANQUBHWQAX-HNNXBMFYSA-N 1 2 424.885 -0.121 20 0 HBADLO NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001167470466 1068497963 /nfs/dbraw/zinc/49/79/63/1068497963.db2.gz RZLLANQUBHWQAX-HNNXBMFYSA-N 1 2 424.885 -0.121 20 0 HBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001167470467 1068498221 /nfs/dbraw/zinc/49/82/21/1068498221.db2.gz RZLLANQUBHWQAX-OAHLLOKOSA-N 1 2 424.885 -0.121 20 0 HBADLO NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001167470467 1068498215 /nfs/dbraw/zinc/49/82/15/1068498215.db2.gz RZLLANQUBHWQAX-OAHLLOKOSA-N 1 2 424.885 -0.121 20 0 HBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001167470584 1068498199 /nfs/dbraw/zinc/49/81/99/1068498199.db2.gz VSKQZJLEALEKTQ-UHFFFAOYSA-N 1 2 415.468 -0.470 20 0 HBADLO COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001167470584 1068498191 /nfs/dbraw/zinc/49/81/91/1068498191.db2.gz VSKQZJLEALEKTQ-UHFFFAOYSA-N 1 2 415.468 -0.470 20 0 HBADLO NC(=O)[C@@H]1CC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)=NN1c1ccc(F)cc1 ZINC001167470658 1068498309 /nfs/dbraw/zinc/49/83/09/1068498309.db2.gz XRRNTGVEHWFPGP-INIZCTEOSA-N 1 2 405.430 -0.189 20 0 HBADLO NC(=O)[C@@H]1CC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)=NN1c1ccc(F)cc1 ZINC001167470658 1068498300 /nfs/dbraw/zinc/49/83/00/1068498300.db2.gz XRRNTGVEHWFPGP-INIZCTEOSA-N 1 2 405.430 -0.189 20 0 HBADLO NC(=O)[C@H]1CC(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)=NN1c1ccc(F)cc1 ZINC001167470659 1068498018 /nfs/dbraw/zinc/49/80/18/1068498018.db2.gz XRRNTGVEHWFPGP-MRXNPFEDSA-N 1 2 405.430 -0.189 20 0 HBADLO NC(=O)[C@H]1CC(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)=NN1c1ccc(F)cc1 ZINC001167470659 1068498014 /nfs/dbraw/zinc/49/80/14/1068498014.db2.gz XRRNTGVEHWFPGP-MRXNPFEDSA-N 1 2 405.430 -0.189 20 0 HBADLO Cc1nsc(N2CCC[N@@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)n1 ZINC001167550568 1068659191 /nfs/dbraw/zinc/65/91/91/1068659191.db2.gz WTVIKXGZGLGRNU-UHFFFAOYSA-N 1 2 416.573 -0.101 20 0 HBADLO Cc1nsc(N2CCC[N@H+](CC(=O)NC3CCN(S(C)(=O)=O)CC3)CC2)n1 ZINC001167550568 1068659187 /nfs/dbraw/zinc/65/91/87/1068659187.db2.gz WTVIKXGZGLGRNU-UHFFFAOYSA-N 1 2 416.573 -0.101 20 0 HBADLO O=C(NCCN1C[C@H]2CCCCN2C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001167691312 1068962448 /nfs/dbraw/zinc/96/24/48/1068962448.db2.gz PZAPEHUMKNSZDK-DLBZAZTESA-N 1 2 407.515 -0.427 20 0 HBADLO O=C(NCCN1C[C@H]2CCCCN2C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001167691321 1068963085 /nfs/dbraw/zinc/96/30/85/1068963085.db2.gz PZAPEHUMKNSZDK-IAGOWNOFSA-N 1 2 407.515 -0.427 20 0 HBADLO O=C(NCCN1C[C@@H]2CCCCN2C1=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001167691322 1068963122 /nfs/dbraw/zinc/96/31/22/1068963122.db2.gz PZAPEHUMKNSZDK-IRXDYDNUSA-N 1 2 407.515 -0.427 20 0 HBADLO O=C(NCCN1C[C@@H]2CCCCN2C1=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001167691323 1068963074 /nfs/dbraw/zinc/96/30/74/1068963074.db2.gz PZAPEHUMKNSZDK-SJORKVTESA-N 1 2 407.515 -0.427 20 0 HBADLO CNC(=O)CCC[NH+]1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001167727498 1069068294 /nfs/dbraw/zinc/06/82/94/1069068294.db2.gz CBLVYSKRJVGNHM-UHFFFAOYSA-N 1 2 404.514 -0.834 20 0 HBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2C[NH+](C[C@H]3CNC(=O)C3)C2)CC1 ZINC001167951251 1069690307 /nfs/dbraw/zinc/69/03/07/1069690307.db2.gz YXMLZDXNUKKLTI-CYBMUJFWSA-N 1 2 402.517 -0.311 20 0 HBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2C[NH+](C[C@@H]3CNC(=O)C3)C2)CC1 ZINC001167951260 1069691101 /nfs/dbraw/zinc/69/11/01/1069691101.db2.gz YXMLZDXNUKKLTI-ZDUSSCGKSA-N 1 2 402.517 -0.311 20 0 HBADLO CN1CCC[C@H]([NH+]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001167996347 1070638961 /nfs/dbraw/zinc/63/89/61/1070638961.db2.gz JEATYVMLDCBELV-KRWDZBQOSA-N 1 2 423.539 -0.155 20 0 HBADLO CN1CCC[C@@H]([NH+]2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001167996349 1070638982 /nfs/dbraw/zinc/63/89/82/1070638982.db2.gz JEATYVMLDCBELV-QGZVFWFLSA-N 1 2 423.539 -0.155 20 0 HBADLO COCCN1C(=O)c2ccc(C(=O)N[C@H](CO)c3c[nH+]cn3C)cc2S1(=O)=O ZINC001168349507 1069457542 /nfs/dbraw/zinc/45/75/42/1069457542.db2.gz NJYZWSBBLDOYEH-CYBMUJFWSA-N 1 2 408.436 -0.326 20 0 HBADLO COCCN1C(=O)c2ccc(C(=O)N[C@@H](CO)c3c[nH+]cn3C)cc2S1(=O)=O ZINC001168349508 1069457678 /nfs/dbraw/zinc/45/76/78/1069457678.db2.gz NJYZWSBBLDOYEH-ZDUSSCGKSA-N 1 2 408.436 -0.326 20 0 HBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001168350246 1069458714 /nfs/dbraw/zinc/45/87/14/1069458714.db2.gz SXKKXCWSDMPQJB-CHWSQXEVSA-N 1 2 402.860 -0.438 20 0 HBADLO Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001168350247 1069458651 /nfs/dbraw/zinc/45/86/51/1069458651.db2.gz SXKKXCWSDMPQJB-OLZOCXBDSA-N 1 2 402.860 -0.438 20 0 HBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001168350248 1069458753 /nfs/dbraw/zinc/45/87/53/1069458753.db2.gz SXKKXCWSDMPQJB-QWHCGFSZSA-N 1 2 402.860 -0.438 20 0 HBADLO Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001168350249 1069458674 /nfs/dbraw/zinc/45/86/74/1069458674.db2.gz SXKKXCWSDMPQJB-STQMWFEESA-N 1 2 402.860 -0.438 20 0 HBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@H+](C)C[C@H]3CO)c2)CC1 ZINC001168537245 1069000420 /nfs/dbraw/zinc/00/04/20/1069000420.db2.gz HOEBGUMXLCTNMI-KRWDZBQOSA-N 1 2 424.523 -0.712 20 0 HBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@@H+](C)C[C@H]3CO)c2)CC1 ZINC001168537245 1069000413 /nfs/dbraw/zinc/00/04/13/1069000413.db2.gz HOEBGUMXLCTNMI-KRWDZBQOSA-N 1 2 424.523 -0.712 20 0 HBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@H+](C)C[C@@H]3CO)c2)CC1 ZINC001168537248 1069000447 /nfs/dbraw/zinc/00/04/47/1069000447.db2.gz HOEBGUMXLCTNMI-QGZVFWFLSA-N 1 2 424.523 -0.712 20 0 HBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@@H+](C)C[C@@H]3CO)c2)CC1 ZINC001168537248 1069000440 /nfs/dbraw/zinc/00/04/40/1069000440.db2.gz HOEBGUMXLCTNMI-QGZVFWFLSA-N 1 2 424.523 -0.712 20 0 HBADLO O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001168990122 1070125357 /nfs/dbraw/zinc/12/53/57/1070125357.db2.gz HDRFPNPPDTXCTR-HNNXBMFYSA-N 1 2 401.460 -0.336 20 0 HBADLO O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001168990123 1070125427 /nfs/dbraw/zinc/12/54/27/1070125427.db2.gz HDRFPNPPDTXCTR-OAHLLOKOSA-N 1 2 401.460 -0.336 20 0 HBADLO CNC(=O)COc1ccc(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001168992109 1070123844 /nfs/dbraw/zinc/12/38/44/1070123844.db2.gz NNAWSUKYSNSODT-INIZCTEOSA-N 1 2 407.467 -0.007 20 0 HBADLO CNC(=O)COc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001168992118 1070123918 /nfs/dbraw/zinc/12/39/18/1070123918.db2.gz NNAWSUKYSNSODT-MRXNPFEDSA-N 1 2 407.467 -0.007 20 0 HBADLO CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)[C@H]1c1ccnn1C ZINC001169002036 1070124667 /nfs/dbraw/zinc/12/46/67/1070124667.db2.gz IQGKKNYJQFFGNU-IPELMVKDSA-N 1 2 421.498 -0.732 20 0 HBADLO CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)[C@H]1c1ccnn1C ZINC001169002037 1070124736 /nfs/dbraw/zinc/12/47/36/1070124736.db2.gz IQGKKNYJQFFGNU-LZQZEXGQSA-N 1 2 421.498 -0.732 20 0 HBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169004027 1070125512 /nfs/dbraw/zinc/12/55/12/1070125512.db2.gz WEMXTTIWCCYQRB-CABCVRRESA-N 1 2 409.574 -0.393 20 0 HBADLO CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169004029 1070125443 /nfs/dbraw/zinc/12/54/43/1070125443.db2.gz WEMXTTIWCCYQRB-GJZGRUSLSA-N 1 2 409.574 -0.393 20 0 HBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001169004031 1070125341 /nfs/dbraw/zinc/12/53/41/1070125341.db2.gz WEMXTTIWCCYQRB-HUUCEWRRSA-N 1 2 409.574 -0.393 20 0 HBADLO CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001169004033 1070125553 /nfs/dbraw/zinc/12/55/53/1070125553.db2.gz WEMXTTIWCCYQRB-LSDHHAIUSA-N 1 2 409.574 -0.393 20 0 HBADLO COC(=O)c1ccc2c(n1)nc(N[C@H]1C[NH2+][C@H](C(=O)OC)C1)nc2N1CCOCC1 ZINC001169130022 1070127370 /nfs/dbraw/zinc/12/73/70/1070127370.db2.gz MVPAUQNFQAJOKO-RISCZKNCSA-N 1 2 416.438 -0.037 20 0 HBADLO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1noc(C(N)=O)n1 ZINC001169170983 1070130550 /nfs/dbraw/zinc/13/05/50/1070130550.db2.gz BZXNJUOTIPHFTQ-JTQLQIEISA-N 1 2 404.431 -0.736 20 0 HBADLO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]Cc1noc(C(N)=O)n1 ZINC001169170984 1070130569 /nfs/dbraw/zinc/13/05/69/1070130569.db2.gz BZXNJUOTIPHFTQ-SNVBAGLBSA-N 1 2 404.431 -0.736 20 0 HBADLO CCOC(=O)[C@@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)O ZINC001169173095 1070130608 /nfs/dbraw/zinc/13/06/08/1070130608.db2.gz ZBSKMGGGDYDDKR-MCIONIFRSA-N 1 2 409.487 -0.105 20 0 HBADLO CCOC(=O)[C@@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)O ZINC001169173096 1070131311 /nfs/dbraw/zinc/13/13/11/1070131311.db2.gz ZBSKMGGGDYDDKR-MJBXVCDLSA-N 1 2 409.487 -0.105 20 0 HBADLO CCOC(=O)[C@H]([NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)O ZINC001169178540 1070131302 /nfs/dbraw/zinc/13/13/02/1070131302.db2.gz ZBSKMGGGDYDDKR-BFHYXJOUSA-N 1 2 409.487 -0.105 20 0 HBADLO CCOC(=O)[C@H]([NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[C@@H](C)O ZINC001169178541 1070131405 /nfs/dbraw/zinc/13/14/05/1070131405.db2.gz ZBSKMGGGDYDDKR-MGPQQGTHSA-N 1 2 409.487 -0.105 20 0 HBADLO COC(=O)[C@@]1([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCOC1 ZINC001169197948 1070130027 /nfs/dbraw/zinc/13/00/27/1070130027.db2.gz YNWUPBILMRYBGW-BFUOFWGJSA-N 1 2 407.471 -0.086 20 0 HBADLO COC(=O)[C@]1([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCOC1 ZINC001169197949 1070129877 /nfs/dbraw/zinc/12/98/77/1070129877.db2.gz YNWUPBILMRYBGW-DJJJIMSYSA-N 1 2 407.471 -0.086 20 0 HBADLO COC(=O)[C@@]1([NH2+][C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCOC1 ZINC001169197950 1070129865 /nfs/dbraw/zinc/12/98/65/1070129865.db2.gz YNWUPBILMRYBGW-ORAYPTAESA-N 1 2 407.471 -0.086 20 0 HBADLO COC(=O)[C@]1([NH2+][C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)CCOC1 ZINC001169197951 1070130063 /nfs/dbraw/zinc/13/00/63/1070130063.db2.gz YNWUPBILMRYBGW-YJYMSZOUSA-N 1 2 407.471 -0.086 20 0 HBADLO Cn1cnc(S(=O)(=O)NCC(=O)NCc2cc[nH+]c(N3CCSCC3)c2)c1 ZINC001169226265 1070133657 /nfs/dbraw/zinc/13/36/57/1070133657.db2.gz OGYVRWANLUSUON-UHFFFAOYSA-N 1 2 410.525 -0.037 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[S@@](=O)CC2(C)C)CC1 ZINC001169330291 1070136340 /nfs/dbraw/zinc/13/63/40/1070136340.db2.gz CPYFDUMHGQDJKP-MUUNZHRXSA-N 1 2 405.528 -0.145 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC[S@](=O)CC2(C)C)CC1 ZINC001169330294 1070136123 /nfs/dbraw/zinc/13/61/23/1070136123.db2.gz CPYFDUMHGQDJKP-NDEPHWFRSA-N 1 2 405.528 -0.145 20 0 HBADLO CS(=O)(=O)N1CCN(CCNc2cc(N3CCC(C(N)=O)CC3)[nH+]cn2)CC1 ZINC001169342274 1070137007 /nfs/dbraw/zinc/13/70/07/1070137007.db2.gz LNYJYXSHVCZJCP-UHFFFAOYSA-N 1 2 411.532 -0.833 20 0 HBADLO CCOC(=O)Cn1ccc2c1nc[nH+]c2NCCN1CCN(S(C)(=O)=O)CC1 ZINC001169342735 1070136916 /nfs/dbraw/zinc/13/69/16/1070136916.db2.gz NYNJCKPDGOKNEP-UHFFFAOYSA-N 1 2 410.500 -0.017 20 0 HBADLO CS(=O)(=O)N1CCN(CCNc2ccc(OCC[NH+]3CCOCC3)nc2)CC1 ZINC001169347840 1070136248 /nfs/dbraw/zinc/13/62/48/1070136248.db2.gz KFQSKEKPIGJKTL-UHFFFAOYSA-N 1 2 413.544 -0.218 20 0 HBADLO CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387742 1070138844 /nfs/dbraw/zinc/13/88/44/1070138844.db2.gz OSSBULIMGPVNQR-CVEARBPZSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387742 1070138835 /nfs/dbraw/zinc/13/88/35/1070138835.db2.gz OSSBULIMGPVNQR-CVEARBPZSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387743 1070138566 /nfs/dbraw/zinc/13/85/66/1070138566.db2.gz OSSBULIMGPVNQR-HOTGVXAUSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387743 1070138564 /nfs/dbraw/zinc/13/85/64/1070138564.db2.gz OSSBULIMGPVNQR-HOTGVXAUSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387744 1070138580 /nfs/dbraw/zinc/13/85/80/1070138580.db2.gz OSSBULIMGPVNQR-HZPDHXFCSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387744 1070138577 /nfs/dbraw/zinc/13/85/77/1070138577.db2.gz OSSBULIMGPVNQR-HZPDHXFCSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387745 1070138712 /nfs/dbraw/zinc/13/87/12/1070138712.db2.gz OSSBULIMGPVNQR-JKSUJKDBSA-N 1 2 422.482 -0.178 20 0 HBADLO CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)COC)nc3C2)CO1 ZINC001169387745 1070138707 /nfs/dbraw/zinc/13/87/07/1070138707.db2.gz OSSBULIMGPVNQR-JKSUJKDBSA-N 1 2 422.482 -0.178 20 0 HBADLO CC(=O)N1CC[C@@H]([N@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001169535748 1070143306 /nfs/dbraw/zinc/14/33/06/1070143306.db2.gz ACTZYZVTJFBILF-IXDOHACOSA-N 1 2 421.523 -0.370 20 0 HBADLO CC(=O)N1CC[C@@H]([N@@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001169535748 1070143303 /nfs/dbraw/zinc/14/33/03/1070143303.db2.gz ACTZYZVTJFBILF-IXDOHACOSA-N 1 2 421.523 -0.370 20 0 HBADLO CC(=O)N1CC[C@H]([N@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001169535752 1070143407 /nfs/dbraw/zinc/14/34/07/1070143407.db2.gz ACTZYZVTJFBILF-YESZJQIVSA-N 1 2 421.523 -0.370 20 0 HBADLO CC(=O)N1CC[C@H]([N@@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001169535752 1070143403 /nfs/dbraw/zinc/14/34/03/1070143403.db2.gz ACTZYZVTJFBILF-YESZJQIVSA-N 1 2 421.523 -0.370 20 0 HBADLO CC(=O)N1CC[C@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)C1 ZINC001169545725 1070144165 /nfs/dbraw/zinc/14/41/65/1070144165.db2.gz MHTNBFKRJLOQDX-INIZCTEOSA-N 1 2 413.482 -0.267 20 0 HBADLO CC(=O)N1CC[C@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)C1 ZINC001169545725 1070144163 /nfs/dbraw/zinc/14/41/63/1070144163.db2.gz MHTNBFKRJLOQDX-INIZCTEOSA-N 1 2 413.482 -0.267 20 0 HBADLO CC(=O)N1CC[C@@H]([N@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)C1 ZINC001169545730 1070144015 /nfs/dbraw/zinc/14/40/15/1070144015.db2.gz MHTNBFKRJLOQDX-MRXNPFEDSA-N 1 2 413.482 -0.267 20 0 HBADLO CC(=O)N1CC[C@@H]([N@@H+]2CCCn3c(=O)cc(CNC(=O)c4nccn4C)nc3C2)C1 ZINC001169545730 1070144011 /nfs/dbraw/zinc/14/40/11/1070144011.db2.gz MHTNBFKRJLOQDX-MRXNPFEDSA-N 1 2 413.482 -0.267 20 0 HBADLO COc1cccc(C[NH+]2CCN(C(=O)CCn3cc(C(N)=O)c(=O)[nH]c3=O)CC2)c1 ZINC001169551156 1070143159 /nfs/dbraw/zinc/14/31/59/1070143159.db2.gz RUCVATHYHGIYSS-UHFFFAOYSA-N 1 2 415.450 -0.209 20 0 HBADLO C[C@@H](C(=O)NC1CN(S(=O)(=O)N(C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001169869006 1070155397 /nfs/dbraw/zinc/15/53/97/1070155397.db2.gz DFEZYZTTYXXRGA-AWEZNQCLSA-N 1 2 413.519 -0.057 20 0 HBADLO C[C@H](C(=O)NC1CN(S(=O)(=O)N(C)C)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001169869007 1070155339 /nfs/dbraw/zinc/15/53/39/1070155339.db2.gz DFEZYZTTYXXRGA-CQSZACIVSA-N 1 2 413.519 -0.057 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169879141 1070154492 /nfs/dbraw/zinc/15/44/92/1070154492.db2.gz HDYQHLNGIYSCIG-HNNXBMFYSA-N 1 2 422.573 -0.974 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169879141 1070154476 /nfs/dbraw/zinc/15/44/76/1070154476.db2.gz HDYQHLNGIYSCIG-HNNXBMFYSA-N 1 2 422.573 -0.974 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169879142 1070154532 /nfs/dbraw/zinc/15/45/32/1070154532.db2.gz HDYQHLNGIYSCIG-OAHLLOKOSA-N 1 2 422.573 -0.974 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001169879142 1070154527 /nfs/dbraw/zinc/15/45/27/1070154527.db2.gz HDYQHLNGIYSCIG-OAHLLOKOSA-N 1 2 422.573 -0.974 20 0 HBADLO COc1ccc(CN2CCc3c2nc[nH+]c3N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC001169969452 1070159311 /nfs/dbraw/zinc/15/93/11/1070159311.db2.gz INHNERIEISJIFC-FLXNRXMOSA-N 1 2 418.450 -0.740 20 0 HBADLO COc1ccc(CN2CCc3c2nc[nH+]c3N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC001169969453 1070159502 /nfs/dbraw/zinc/15/95/02/1070159502.db2.gz INHNERIEISJIFC-RXFYRGCNSA-N 1 2 418.450 -0.740 20 0 HBADLO OC[C@H]1O[C@@H](O)[C@H](Nc2c3[nH+]ccn3ccc2I)[C@@H](O)[C@@H]1O ZINC001169972739 1070192030 /nfs/dbraw/zinc/19/20/30/1070192030.db2.gz XWXMNQYSQXMGTN-BCPMIOLYSA-N 1 2 421.191 -0.849 20 0 HBADLO OC[C@H]1O[C@H](O)[C@H](Nc2c3[nH+]ccn3ccc2I)[C@@H](O)[C@@H]1O ZINC001169972740 1070193059 /nfs/dbraw/zinc/19/30/59/1070193059.db2.gz XWXMNQYSQXMGTN-SDAAFIMUSA-N 1 2 421.191 -0.849 20 0 HBADLO Cn1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC[NH2+]2)cn1 ZINC001170101783 1070434672 /nfs/dbraw/zinc/43/46/72/1070434672.db2.gz LWULQEPQHIGMRU-KRWDZBQOSA-N 1 2 405.480 -0.098 20 0 HBADLO Cn1cc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)CC[NH2+]2)cn1 ZINC001170101786 1070434465 /nfs/dbraw/zinc/43/44/65/1070434465.db2.gz LWULQEPQHIGMRU-QGZVFWFLSA-N 1 2 405.480 -0.098 20 0 HBADLO Cn1cc([C@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)cn1 ZINC001170102850 1070436358 /nfs/dbraw/zinc/43/63/58/1070436358.db2.gz VPEIHCARGWGGNJ-DZGCQCFKSA-N 1 2 408.484 -0.942 20 0 HBADLO Cn1cc([C@@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)cn1 ZINC001170102851 1070436524 /nfs/dbraw/zinc/43/65/24/1070436524.db2.gz VPEIHCARGWGGNJ-HIFRSBDPSA-N 1 2 408.484 -0.942 20 0 HBADLO Cn1cc([C@H]2CN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)cn1 ZINC001170102852 1070436584 /nfs/dbraw/zinc/43/65/84/1070436584.db2.gz VPEIHCARGWGGNJ-UKRRQHHQSA-N 1 2 408.484 -0.942 20 0 HBADLO Cn1cc([C@@H]2CN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC[NH2+]2)cn1 ZINC001170102853 1070437268 /nfs/dbraw/zinc/43/72/68/1070437268.db2.gz VPEIHCARGWGGNJ-ZFWWWQNUSA-N 1 2 408.484 -0.942 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)[C@@H](C)O)cc1 ZINC001170103014 1070435615 /nfs/dbraw/zinc/43/56/15/1070435615.db2.gz YRHNMGSNNUNDTR-JLSDUUJJSA-N 1 2 421.523 -0.071 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)[C@@H](C)O)cc1 ZINC001170103022 1070435492 /nfs/dbraw/zinc/43/54/92/1070435492.db2.gz YRHNMGSNNUNDTR-OLMNPRSZSA-N 1 2 421.523 -0.071 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)[C@H](C)O)cc1 ZINC001170103024 1070435352 /nfs/dbraw/zinc/43/53/52/1070435352.db2.gz YRHNMGSNNUNDTR-QGTPRVQTSA-N 1 2 421.523 -0.071 20 0 HBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)[C@H](C)O)cc1 ZINC001170103027 1070435407 /nfs/dbraw/zinc/43/54/07/1070435407.db2.gz YRHNMGSNNUNDTR-WBAXXEDZSA-N 1 2 421.523 -0.071 20 0 HBADLO Cn1cc([C@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cn1 ZINC001170110889 1070441173 /nfs/dbraw/zinc/44/11/73/1070441173.db2.gz BCDTUFXZVATHBG-DLBZAZTESA-N 1 2 416.457 -0.365 20 0 HBADLO Cn1cc([C@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cn1 ZINC001170110891 1070441097 /nfs/dbraw/zinc/44/10/97/1070441097.db2.gz BCDTUFXZVATHBG-IAGOWNOFSA-N 1 2 416.457 -0.365 20 0 HBADLO Cn1cc([C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cn1 ZINC001170110894 1070441279 /nfs/dbraw/zinc/44/12/79/1070441279.db2.gz BCDTUFXZVATHBG-IRXDYDNUSA-N 1 2 416.457 -0.365 20 0 HBADLO Cn1cc([C@@H]2CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC[NH2+]2)cn1 ZINC001170110896 1070441070 /nfs/dbraw/zinc/44/10/70/1070441070.db2.gz BCDTUFXZVATHBG-SJORKVTESA-N 1 2 416.457 -0.365 20 0 HBADLO O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170139562 1070475526 /nfs/dbraw/zinc/47/55/26/1070475526.db2.gz JEXZGLBLXUMMFH-CABCVRRESA-N 1 2 413.887 -0.125 20 0 HBADLO O=C([C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170139564 1070475372 /nfs/dbraw/zinc/47/53/72/1070475372.db2.gz JEXZGLBLXUMMFH-GJZGRUSLSA-N 1 2 413.887 -0.125 20 0 HBADLO O=C([C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001170139566 1070475477 /nfs/dbraw/zinc/47/54/77/1070475477.db2.gz JEXZGLBLXUMMFH-HUUCEWRRSA-N 1 2 413.887 -0.125 20 0 HBADLO O=C([C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001170139568 1070475547 /nfs/dbraw/zinc/47/55/47/1070475547.db2.gz JEXZGLBLXUMMFH-LSDHHAIUSA-N 1 2 413.887 -0.125 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC001170235040 1070512919 /nfs/dbraw/zinc/51/29/19/1070512919.db2.gz WUSGECAYNUNWPG-UHFFFAOYSA-N 1 2 424.523 -0.472 20 0 HBADLO CC(C)NS(=O)(=O)N1CCN([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001170244637 1070513423 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QGEGASRHJMPMRD-YWPYICTPSA-N 1 2 401.485 -0.443 20 0 HBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001171007732 1071015556 /nfs/dbraw/zinc/01/55/56/1071015556.db2.gz QGEGASRHJMPMRD-ZOWXZIJZSA-N 1 2 401.485 -0.443 20 0 HBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001171007732 1071015539 /nfs/dbraw/zinc/01/55/39/1071015539.db2.gz QGEGASRHJMPMRD-ZOWXZIJZSA-N 1 2 401.485 -0.443 20 0 HBADLO Cc1cn(CC(=O)NCCNc2[nH+]cnc3[nH]cc([S@@](C)=O)c32)c(=O)[nH]c1=O ZINC001171081740 1071028075 /nfs/dbraw/zinc/02/80/75/1071028075.db2.gz JRUNJMZJDCMWSP-MUUNZHRXSA-N 1 2 405.440 -0.554 20 0 HBADLO Cc1cn(CC(=O)NCCNc2[nH+]cnc3[nH]cc([S@](C)=O)c32)c(=O)[nH]c1=O ZINC001171081741 1071028229 /nfs/dbraw/zinc/02/82/29/1071028229.db2.gz JRUNJMZJDCMWSP-NDEPHWFRSA-N 1 2 405.440 -0.554 20 0 HBADLO CCOC(=O)c1cc2c[nH+]c(NCCNC(=O)Cn3cc(C)c(=O)[nH]c3=O)nc2[nH]1 ZINC001171082305 1071028669 /nfs/dbraw/zinc/02/86/69/1071028669.db2.gz 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CTEYNVASPCTESZ-LVQVYYBASA-N 1 2 401.529 -0.769 20 0 HBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1CO ZINC001171137511 1071039862 /nfs/dbraw/zinc/03/98/62/1071039862.db2.gz CTEYNVASPCTESZ-XUWVNRHRSA-N 1 2 401.529 -0.769 20 0 HBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@@H]1CO ZINC001171137511 1071039856 /nfs/dbraw/zinc/03/98/56/1071039856.db2.gz CTEYNVASPCTESZ-XUWVNRHRSA-N 1 2 401.529 -0.769 20 0 HBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1CO ZINC001171137512 1071039986 /nfs/dbraw/zinc/03/99/86/1071039986.db2.gz CTEYNVASPCTESZ-YHUYYLMFSA-N 1 2 401.529 -0.769 20 0 HBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)C[C@H]1CO ZINC001171137512 1071039978 /nfs/dbraw/zinc/03/99/78/1071039978.db2.gz CTEYNVASPCTESZ-YHUYYLMFSA-N 1 2 401.529 -0.769 20 0 HBADLO C[N@H+]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)C[C@@H]1CO ZINC001171138863 1071039293 /nfs/dbraw/zinc/03/92/93/1071039293.db2.gz 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20 0 HBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@H+](C)[C@@H](CO)C3)c2)CC1 ZINC001171140721 1071039786 /nfs/dbraw/zinc/03/97/86/1071039786.db2.gz VGIQNZYUGXOOTO-QGZVFWFLSA-N 1 2 424.523 -0.712 20 0 HBADLO CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)c2)CC1 ZINC001171140721 1071039782 /nfs/dbraw/zinc/03/97/82/1071039782.db2.gz VGIQNZYUGXOOTO-QGZVFWFLSA-N 1 2 424.523 -0.712 20 0 HBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C[C@H]1CO ZINC001171141019 1071039896 /nfs/dbraw/zinc/03/98/96/1071039896.db2.gz XBSCGKTWQCGOIQ-KELXMEGNSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C[C@H]1CO ZINC001171141019 1071039892 /nfs/dbraw/zinc/03/98/92/1071039892.db2.gz XBSCGKTWQCGOIQ-KELXMEGNSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@@H]1CO ZINC001171141020 1071039810 /nfs/dbraw/zinc/03/98/10/1071039810.db2.gz XBSCGKTWQCGOIQ-LJFWHQRKSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@@H]1CO ZINC001171141020 1071039805 /nfs/dbraw/zinc/03/98/05/1071039805.db2.gz XBSCGKTWQCGOIQ-LJFWHQRKSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@H]1CO ZINC001171141021 1071039881 /nfs/dbraw/zinc/03/98/81/1071039881.db2.gz XBSCGKTWQCGOIQ-TYKASLFTSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C[C@H]1CO ZINC001171141021 1071039874 /nfs/dbraw/zinc/03/98/74/1071039874.db2.gz XBSCGKTWQCGOIQ-TYKASLFTSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C[C@@H]1CO ZINC001171141022 1071039829 /nfs/dbraw/zinc/03/98/29/1071039829.db2.gz XBSCGKTWQCGOIQ-UVFSVYEVSA-N 1 2 400.479 -0.075 20 0 HBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C[C@@H]1CO ZINC001171141022 1071039825 /nfs/dbraw/zinc/03/98/25/1071039825.db2.gz XBSCGKTWQCGOIQ-UVFSVYEVSA-N 1 2 400.479 -0.075 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001171231447 1071056863 /nfs/dbraw/zinc/05/68/63/1071056863.db2.gz RVUSHKXNJYMXNJ-CRAIPNDOSA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001171231447 1071056852 /nfs/dbraw/zinc/05/68/52/1071056852.db2.gz RVUSHKXNJYMXNJ-CRAIPNDOSA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001171231451 1071056957 /nfs/dbraw/zinc/05/69/57/1071056957.db2.gz RVUSHKXNJYMXNJ-MAUKXSAKSA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001171231451 1071056945 /nfs/dbraw/zinc/05/69/45/1071056945.db2.gz RVUSHKXNJYMXNJ-MAUKXSAKSA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001171231453 1071056801 /nfs/dbraw/zinc/05/68/01/1071056801.db2.gz RVUSHKXNJYMXNJ-QAPCUYQASA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001171231453 1071056793 /nfs/dbraw/zinc/05/67/93/1071056793.db2.gz RVUSHKXNJYMXNJ-QAPCUYQASA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001171231454 1071056831 /nfs/dbraw/zinc/05/68/31/1071056831.db2.gz RVUSHKXNJYMXNJ-YJBOKZPZSA-N 1 2 411.524 -0.109 20 0 HBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001171231454 1071056820 /nfs/dbraw/zinc/05/68/20/1071056820.db2.gz RVUSHKXNJYMXNJ-YJBOKZPZSA-N 1 2 411.524 -0.109 20 0 HBADLO COC(=O)c1cnc2[nH]cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4[NH3+])c(=O)n3)cc1-2 ZINC001171264656 1071077977 /nfs/dbraw/zinc/07/79/77/1071077977.db2.gz QGYRCUOBXJBGHV-XKVFNRALSA-N 1 2 416.394 -0.938 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@@H](O)CO)[C@H]1CCN(C2CCOCC2)C1=O ZINC001171427196 1071156334 /nfs/dbraw/zinc/15/63/34/1071156334.db2.gz UHCBNXCXSDFNKD-CVEARBPZSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)[C@H]1CCN(C2CCOCC2)C1=O ZINC001171427196 1071156329 /nfs/dbraw/zinc/15/63/29/1071156329.db2.gz UHCBNXCXSDFNKD-CVEARBPZSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@H](O)CO)[C@H]1CCN(C2CCOCC2)C1=O ZINC001171427197 1071156242 /nfs/dbraw/zinc/15/62/42/1071156242.db2.gz UHCBNXCXSDFNKD-HOTGVXAUSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@H](O)CO)[C@H]1CCN(C2CCOCC2)C1=O ZINC001171427197 1071156235 /nfs/dbraw/zinc/15/62/35/1071156235.db2.gz UHCBNXCXSDFNKD-HOTGVXAUSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@@H](O)CO)[C@@H]1CCN(C2CCOCC2)C1=O ZINC001171427199 1071156255 /nfs/dbraw/zinc/15/62/55/1071156255.db2.gz UHCBNXCXSDFNKD-HZPDHXFCSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@@H](O)CO)[C@@H]1CCN(C2CCOCC2)C1=O ZINC001171427199 1071156253 /nfs/dbraw/zinc/15/62/53/1071156253.db2.gz UHCBNXCXSDFNKD-HZPDHXFCSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@@H+](C[C@H](O)CO)[C@@H]1CCN(C2CCOCC2)C1=O ZINC001171427201 1071156349 /nfs/dbraw/zinc/15/63/49/1071156349.db2.gz UHCBNXCXSDFNKD-JKSUJKDBSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(C)(C)OC(=O)NCC[N@H+](C[C@H](O)CO)[C@@H]1CCN(C2CCOCC2)C1=O ZINC001171427201 1071156345 /nfs/dbraw/zinc/15/63/45/1071156345.db2.gz UHCBNXCXSDFNKD-JKSUJKDBSA-N 1 2 401.504 -0.054 20 0 HBADLO CC(=O)NCC[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001171545026 1071164496 /nfs/dbraw/zinc/16/44/96/1071164496.db2.gz OWXZQSNCSRUOEM-UHFFFAOYSA-N 1 2 418.466 -0.134 20 0 HBADLO CC(=O)NCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001171545026 1071164488 /nfs/dbraw/zinc/16/44/88/1071164488.db2.gz OWXZQSNCSRUOEM-UHFFFAOYSA-N 1 2 418.466 -0.134 20 0 HBADLO Cn1ccnc1[C@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)(C)CO ZINC001171580951 1071165149 /nfs/dbraw/zinc/16/51/49/1071165149.db2.gz CYBXYICYTMZSDX-HNNXBMFYSA-N 1 2 401.533 -0.391 20 0 HBADLO Cn1ccnc1[C@@H]([NH2+]CC(=O)NC1CCN(S(C)(=O)=O)CC1)C(C)(C)CO ZINC001171580953 1071165472 /nfs/dbraw/zinc/16/54/72/1071165472.db2.gz CYBXYICYTMZSDX-OAHLLOKOSA-N 1 2 401.533 -0.391 20 0 HBADLO COc1cc(C(=O)NC[C@]2(CO)COCC[NH2+]2)cc(NS(C)(=O)=O)c1OC ZINC001171662326 1071165898 /nfs/dbraw/zinc/16/58/98/1071165898.db2.gz UWYQNHUAKWRLOF-INIZCTEOSA-N 1 2 403.457 -0.844 20 0 HBADLO COc1cc(C(=O)NC[C@@]2(CO)COCC[NH2+]2)cc(NS(C)(=O)=O)c1OC ZINC001171662327 1071166197 /nfs/dbraw/zinc/16/61/97/1071166197.db2.gz UWYQNHUAKWRLOF-MRXNPFEDSA-N 1 2 403.457 -0.844 20 0 HBADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001171683898 1071166102 /nfs/dbraw/zinc/16/61/02/1071166102.db2.gz GINPMMUTYUDBGP-PVRZRQTBSA-N 1 2 411.549 -0.134 20 0 HBADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001171683898 1071166095 /nfs/dbraw/zinc/16/60/95/1071166095.db2.gz GINPMMUTYUDBGP-PVRZRQTBSA-N 1 2 411.549 -0.134 20 0 HBADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001171683899 1071165942 /nfs/dbraw/zinc/16/59/42/1071165942.db2.gz GINPMMUTYUDBGP-FXFTYNISSA-N 1 2 411.549 -0.134 20 0 HBADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001171683899 1071165936 /nfs/dbraw/zinc/16/59/36/1071165936.db2.gz GINPMMUTYUDBGP-FXFTYNISSA-N 1 2 411.549 -0.134 20 0 HBADLO COC[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001171714845 1071167034 /nfs/dbraw/zinc/16/70/34/1071167034.db2.gz WMKGWCCQPDXLPI-JKSUJKDBSA-N 1 2 413.496 -0.272 20 0 HBADLO COC[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001171714845 1071167023 /nfs/dbraw/zinc/16/70/23/1071167023.db2.gz WMKGWCCQPDXLPI-JKSUJKDBSA-N 1 2 413.496 -0.272 20 0 HBADLO O=S(=O)(NCc1ccccc1)N1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001171786334 1071168499 /nfs/dbraw/zinc/16/84/99/1071168499.db2.gz TUWYKBDAUPYBHP-GOSISDBHSA-N 1 2 413.540 -0.069 20 0 HBADLO O=S(=O)(NCc1ccccc1)N1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001171786335 1071168719 /nfs/dbraw/zinc/16/87/19/1071168719.db2.gz TUWYKBDAUPYBHP-SFHVURJKSA-N 1 2 413.540 -0.069 20 0 HBADLO Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001171828543 1071168626 /nfs/dbraw/zinc/16/86/26/1071168626.db2.gz MSTVWTUNMLVDIM-DOTOQJQBSA-N 1 2 401.471 -0.497 20 0 HBADLO Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001171828543 1071168617 /nfs/dbraw/zinc/16/86/17/1071168617.db2.gz MSTVWTUNMLVDIM-DOTOQJQBSA-N 1 2 401.471 -0.497 20 0 HBADLO Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001171828544 1071168595 /nfs/dbraw/zinc/16/85/95/1071168595.db2.gz MSTVWTUNMLVDIM-RDJZCZTQSA-N 1 2 401.471 -0.497 20 0 HBADLO Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](C)NC(=O)Cn3cnnn3)C2)cc1 ZINC001171828544 1071168590 /nfs/dbraw/zinc/16/85/90/1071168590.db2.gz MSTVWTUNMLVDIM-RDJZCZTQSA-N 1 2 401.471 -0.497 20 0 HBADLO O=C(C[NH+]1CCC(O)(CO)CC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001171841944 1071171182 /nfs/dbraw/zinc/17/11/82/1071171182.db2.gz VLBFHQBAZVUIMI-UHFFFAOYSA-N 1 2 413.496 -0.535 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([NH+]2CC(N3CCNC(=O)C3)C2)CCN1C(=O)c1ccccc1 ZINC001173511020 1071186428 /nfs/dbraw/zinc/18/64/28/1071186428.db2.gz DEFCUTNHNKTHGH-AEFFLSMTSA-N 1 2 400.479 -0.051 20 0 HBADLO COC(=O)[C@H]1C[C@@H]([NH+]2CC(N3CCNC(=O)C3)C2)CCN1C(=O)c1ccccc1 ZINC001173511025 1071186663 /nfs/dbraw/zinc/18/66/63/1071186663.db2.gz DEFCUTNHNKTHGH-FUHWJXTLSA-N 1 2 400.479 -0.051 20 0 HBADLO COC(=O)[C@H]1C[C@H]([NH+]2CC(N3CCNC(=O)C3)C2)CCN1C(=O)c1ccccc1 ZINC001173511029 1071186562 /nfs/dbraw/zinc/18/65/62/1071186562.db2.gz DEFCUTNHNKTHGH-SJLPKXTDSA-N 1 2 400.479 -0.051 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]([NH+]2CC(N3CCNC(=O)C3)C2)CCN1C(=O)c1ccccc1 ZINC001173511034 1071186493 /nfs/dbraw/zinc/18/64/93/1071186493.db2.gz DEFCUTNHNKTHGH-WMZOPIPTSA-N 1 2 400.479 -0.051 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](n2c[nH+]cc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])C[C@@H]1C(=O)OC ZINC001173579212 1071188824 /nfs/dbraw/zinc/18/88/24/1071188824.db2.gz SWRSTQNJLXZDNB-DEQVHRJGSA-N 1 2 410.427 -0.743 20 0 HBADLO COC(=O)[C@@H]1C[C@H](n2c[nH+]cc2C[C@H](NC(=O)CC[NH3+])C(=O)[O-])C[C@@H]1C(=O)OC ZINC001173579217 1071189078 /nfs/dbraw/zinc/18/90/78/1071189078.db2.gz SWRSTQNJLXZDNB-GHYVTOPFSA-N 1 2 410.427 -0.743 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173580466 1071189962 /nfs/dbraw/zinc/18/99/62/1071189962.db2.gz ATFADXJPDZAJMC-MUJYYYPQSA-N 1 2 402.513 -0.078 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(N3CCS(=O)(=O)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173580467 1071189841 /nfs/dbraw/zinc/18/98/41/1071189841.db2.gz ATFADXJPDZAJMC-PHZGNYQRSA-N 1 2 402.513 -0.078 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CCCn3nnc(Cn4cnnc4)c3C2)C[C@@H]1C(=O)OC ZINC001173580732 1071189869 /nfs/dbraw/zinc/18/98/69/1071189869.db2.gz XWRRZLRTIMIXQY-BTTYYORXSA-N 1 2 403.443 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WUXZGYFQCXYRJA-NWHWRWDZSA-N 1 2 410.467 -0.325 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)C[C@@H]1C(=O)OC ZINC001173581187 1071189947 /nfs/dbraw/zinc/18/99/47/1071189947.db2.gz WUXZGYFQCXYRJA-RGGMIXCSSA-N 1 2 410.467 -0.325 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)C[C@@H]1C(=O)OC ZINC001173581187 1071189942 /nfs/dbraw/zinc/18/99/42/1071189942.db2.gz WUXZGYFQCXYRJA-RGGMIXCSSA-N 1 2 410.467 -0.325 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)C[C@@H]1C(=O)OC ZINC001173581188 1071189897 /nfs/dbraw/zinc/18/98/97/1071189897.db2.gz WUXZGYFQCXYRJA-XJTKPRQNSA-N 1 2 410.467 -0.325 20 0 HBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCOCC4)[C@@H](C2)O3)C[C@@H]1C(=O)OC ZINC001173581188 1071189893 /nfs/dbraw/zinc/18/98/93/1071189893.db2.gz WUXZGYFQCXYRJA-XJTKPRQNSA-N 1 2 410.467 -0.325 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)C[C@@H]1C(=O)OC ZINC001173581189 1071189996 /nfs/dbraw/zinc/18/99/96/1071189996.db2.gz WUXZGYFQCXYRJA-ZBURPKILSA-N 1 2 410.467 -0.325 20 0 HBADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)C[C@@H]1C(=O)OC ZINC001173581189 1071189995 /nfs/dbraw/zinc/18/99/95/1071189995.db2.gz WUXZGYFQCXYRJA-ZBURPKILSA-N 1 2 410.467 -0.325 20 0 HBADLO NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174523751 1071195796 /nfs/dbraw/zinc/19/57/96/1071195796.db2.gz ZIDHACCLJSRCLG-BGIGGGFGSA-N 1 2 418.454 -0.278 20 0 HBADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653804 1071197232 /nfs/dbraw/zinc/19/72/32/1071197232.db2.gz ZSESIBSNSXNYLT-KBPBESRZSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653804 1071197230 /nfs/dbraw/zinc/19/72/30/1071197230.db2.gz ZSESIBSNSXNYLT-KBPBESRZSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653821 1071197226 /nfs/dbraw/zinc/19/72/26/1071197226.db2.gz ZSESIBSNSXNYLT-KGLIPLIRSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653821 1071197225 /nfs/dbraw/zinc/19/72/25/1071197225.db2.gz ZSESIBSNSXNYLT-KGLIPLIRSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653823 1071197189 /nfs/dbraw/zinc/19/71/89/1071197189.db2.gz ZSESIBSNSXNYLT-UONOGXRCSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653823 1071197187 /nfs/dbraw/zinc/19/71/87/1071197187.db2.gz ZSESIBSNSXNYLT-UONOGXRCSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653825 1071197257 /nfs/dbraw/zinc/19/72/57/1071197257.db2.gz ZSESIBSNSXNYLT-ZIAGYGMSSA-N 1 2 406.549 -0.382 20 0 HBADLO CNC(=O)NC[C@@H]1C[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CCO1 ZINC001174653825 1071197255 /nfs/dbraw/zinc/19/72/55/1071197255.db2.gz ZSESIBSNSXNYLT-ZIAGYGMSSA-N 1 2 406.549 -0.382 20 0 HBADLO CCc1nc2ccc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cn2n1 ZINC001174675341 1071196491 /nfs/dbraw/zinc/19/64/91/1071196491.db2.gz FXJGQLXEIVQYOL-GJZGRUSLSA-N 1 2 424.465 -0.168 20 0 HBADLO CCc1nc2ccc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cn2n1 ZINC001174675341 1071196485 /nfs/dbraw/zinc/19/64/85/1071196485.db2.gz FXJGQLXEIVQYOL-GJZGRUSLSA-N 1 2 424.465 -0.168 20 0 HBADLO NS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001174709786 1071198227 /nfs/dbraw/zinc/19/82/27/1071198227.db2.gz ZTUOSQJEDAVQBL-LLVKDONJSA-N 1 2 402.498 -0.485 20 0 HBADLO NS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cs1 ZINC001174709790 1071197964 /nfs/dbraw/zinc/19/79/64/1071197964.db2.gz ZTUOSQJEDAVQBL-NSHDSACASA-N 1 2 402.498 -0.485 20 0 HBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001174716407 1071198214 /nfs/dbraw/zinc/19/82/14/1071198214.db2.gz RCOJCPUSQQVPNT-FOIQADDNSA-N 1 2 411.499 -0.264 20 0 HBADLO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN([C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001174716408 1071198022 /nfs/dbraw/zinc/19/80/22/1071198022.db2.gz RCOJCPUSQQVPNT-MGPUTAFESA-N 1 2 411.499 -0.264 20 0 HBADLO COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001174716409 1071198180 /nfs/dbraw/zinc/19/81/80/1071198180.db2.gz RCOJCPUSQQVPNT-QRWLVFNGSA-N 1 2 411.499 -0.264 20 0 HBADLO COC(=O)C1CCN(C(=O)[C@H](C)[NH+]2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001174716410 1071198192 /nfs/dbraw/zinc/19/81/92/1071198192.db2.gz RCOJCPUSQQVPNT-YWZLYKJASA-N 1 2 411.499 -0.264 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@@H](O)C[C@@]3(C)CO)C2=O)cc1 ZINC001174733985 1071198122 /nfs/dbraw/zinc/19/81/22/1071198122.db2.gz DQJGMFOBEWPVKC-AGRHKRQWSA-N 1 2 406.439 -0.689 20 0 HBADLO 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COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+]3C[C@H](O)C[C@]3(C)CO)C2=O)cc1 ZINC001174734001 1071198080 /nfs/dbraw/zinc/19/80/80/1071198080.db2.gz DQJGMFOBEWPVKC-ZNOIYHFQSA-N 1 2 406.439 -0.689 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+]3C[C@H](O)C[C@]3(C)CO)C2=O)cc1 ZINC001174734001 1071198075 /nfs/dbraw/zinc/19/80/75/1071198075.db2.gz DQJGMFOBEWPVKC-ZNOIYHFQSA-N 1 2 406.439 -0.689 20 0 HBADLO C[C@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734109 1071198342 /nfs/dbraw/zinc/19/83/42/1071198342.db2.gz GFAQRNGSAXBPOZ-KBXCAEBGSA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734109 1071198334 /nfs/dbraw/zinc/19/83/34/1071198334.db2.gz GFAQRNGSAXBPOZ-KBXCAEBGSA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734307 1071198303 /nfs/dbraw/zinc/19/83/03/1071198303.db2.gz GFAQRNGSAXBPOZ-KDOFPFPSSA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734307 1071198298 /nfs/dbraw/zinc/19/82/98/1071198298.db2.gz GFAQRNGSAXBPOZ-KDOFPFPSSA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@@]1(CO)C[C@H](O)C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734308 1071198982 /nfs/dbraw/zinc/19/89/82/1071198982.db2.gz GFAQRNGSAXBPOZ-KSSFIOAISA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734308 1071198975 /nfs/dbraw/zinc/19/89/75/1071198975.db2.gz GFAQRNGSAXBPOZ-KSSFIOAISA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@]1(CO)C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734309 1071199174 /nfs/dbraw/zinc/19/91/74/1071199174.db2.gz GFAQRNGSAXBPOZ-RDTXWAMCSA-N 1 2 410.496 -0.087 20 0 HBADLO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC001174734309 1071199168 /nfs/dbraw/zinc/19/91/68/1071199168.db2.gz GFAQRNGSAXBPOZ-RDTXWAMCSA-N 1 2 410.496 -0.087 20 0 HBADLO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC001174949818 1071200750 /nfs/dbraw/zinc/20/07/50/1071200750.db2.gz YZRXBSHIGITFBL-AWEZNQCLSA-N 1 2 409.512 -0.089 20 0 HBADLO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC001174949818 1071200746 /nfs/dbraw/zinc/20/07/46/1071200746.db2.gz YZRXBSHIGITFBL-AWEZNQCLSA-N 1 2 409.512 -0.089 20 0 HBADLO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC001174949821 1071200585 /nfs/dbraw/zinc/20/05/85/1071200585.db2.gz YZRXBSHIGITFBL-CQSZACIVSA-N 1 2 409.512 -0.089 20 0 HBADLO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C1 ZINC001174949821 1071200581 /nfs/dbraw/zinc/20/05/81/1071200581.db2.gz YZRXBSHIGITFBL-CQSZACIVSA-N 1 2 409.512 -0.089 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC001174976179 1071200661 /nfs/dbraw/zinc/20/06/61/1071200661.db2.gz VPRRLPZVVWSTTC-DLBZAZTESA-N 1 2 423.539 -0.623 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC001174976179 1071200656 /nfs/dbraw/zinc/20/06/56/1071200656.db2.gz VPRRLPZVVWSTTC-DLBZAZTESA-N 1 2 423.539 -0.623 20 0 HBADLO C[N@H+]1CCCn2nc(C(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)cc2C1 ZINC001175047951 1071201411 /nfs/dbraw/zinc/20/14/11/1071201411.db2.gz PLWLJJFFBXGFND-UHFFFAOYSA-N 1 2 414.470 -0.195 20 0 HBADLO C[N@@H+]1CCCn2nc(C(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)cc2C1 ZINC001175047951 1071201402 /nfs/dbraw/zinc/20/14/02/1071201402.db2.gz PLWLJJFFBXGFND-UHFFFAOYSA-N 1 2 414.470 -0.195 20 0 HBADLO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)C[C@H]2C1 ZINC001175062775 1071201549 /nfs/dbraw/zinc/20/15/49/1071201549.db2.gz BKGBAHNQFKKRIE-CABCVRRESA-N 1 2 410.544 -0.081 20 0 HBADLO CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)C[C@H]2C1 ZINC001175062775 1071201540 /nfs/dbraw/zinc/20/15/40/1071201540.db2.gz BKGBAHNQFKKRIE-CABCVRRESA-N 1 2 410.544 -0.081 20 0 HBADLO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)C2 ZINC001175066270 1071201714 /nfs/dbraw/zinc/20/17/14/1071201714.db2.gz VLQMDVGQNQBVOE-UHFFFAOYSA-N 1 2 416.486 -0.429 20 0 HBADLO CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)C2 ZINC001175066270 1071201707 /nfs/dbraw/zinc/20/17/07/1071201707.db2.gz VLQMDVGQNQBVOE-UHFFFAOYSA-N 1 2 416.486 -0.429 20 0 HBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C1 ZINC001175066770 1071201326 /nfs/dbraw/zinc/20/13/26/1071201326.db2.gz XBARXLCVHOAFNT-HNNXBMFYSA-N 1 2 415.498 -0.050 20 0 HBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C1 ZINC001175066770 1071201320 /nfs/dbraw/zinc/20/13/20/1071201320.db2.gz XBARXLCVHOAFNT-HNNXBMFYSA-N 1 2 415.498 -0.050 20 0 HBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C1 ZINC001175066771 1071201486 /nfs/dbraw/zinc/20/14/86/1071201486.db2.gz XBARXLCVHOAFNT-OAHLLOKOSA-N 1 2 415.498 -0.050 20 0 HBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C1 ZINC001175066771 1071201481 /nfs/dbraw/zinc/20/14/81/1071201481.db2.gz XBARXLCVHOAFNT-OAHLLOKOSA-N 1 2 415.498 -0.050 20 0 HBADLO C[N@H+]1CCCn2nc(C(=O)N3CCn4c(CN5CCOCC5)nnc4C3)cc2C1 ZINC001175067059 1071201466 /nfs/dbraw/zinc/20/14/66/1071201466.db2.gz ZYAOVXQGLJGJTN-UHFFFAOYSA-N 1 2 400.487 -0.202 20 0 HBADLO C[N@@H+]1CCCn2nc(C(=O)N3CCn4c(CN5CCOCC5)nnc4C3)cc2C1 ZINC001175067059 1071201458 /nfs/dbraw/zinc/20/14/58/1071201458.db2.gz ZYAOVXQGLJGJTN-UHFFFAOYSA-N 1 2 400.487 -0.202 20 0 HBADLO CC(=O)N1CC2(C1)CN(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)C[C@H]2C(=O)N(C)C ZINC001175078200 1071201357 /nfs/dbraw/zinc/20/13/57/1071201357.db2.gz UJKNAYWQDKUKKQ-INIZCTEOSA-N 1 2 402.499 -0.273 20 0 HBADLO CC(=O)N1CC2(C1)CN(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)C[C@H]2C(=O)N(C)C ZINC001175078200 1071201348 /nfs/dbraw/zinc/20/13/48/1071201348.db2.gz UJKNAYWQDKUKKQ-INIZCTEOSA-N 1 2 402.499 -0.273 20 0 HBADLO CC(=O)N1CC2(C1)CN(C(=O)c1cc3n(n1)CCC[N@@H+](C)C3)C[C@@H]2C(=O)N(C)C ZINC001175078201 1071201508 /nfs/dbraw/zinc/20/15/08/1071201508.db2.gz UJKNAYWQDKUKKQ-MRXNPFEDSA-N 1 2 402.499 -0.273 20 0 HBADLO CC(=O)N1CC2(C1)CN(C(=O)c1cc3n(n1)CCC[N@H+](C)C3)C[C@@H]2C(=O)N(C)C ZINC001175078201 1071201501 /nfs/dbraw/zinc/20/15/01/1071201501.db2.gz UJKNAYWQDKUKKQ-MRXNPFEDSA-N 1 2 402.499 -0.273 20 0 HBADLO Cc1cn([C@H]2C[C@H](NC(=O)c3cc4n(n3)CCC[N@H+](C)C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001175105141 1071201659 /nfs/dbraw/zinc/20/16/59/1071201659.db2.gz VIZKWKRNXLCMNP-NUEKZKHPSA-N 1 2 418.454 -0.632 20 0 HBADLO Cc1cn([C@H]2C[C@H](NC(=O)c3cc4n(n3)CCC[N@@H+](C)C4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001175105141 1071201653 /nfs/dbraw/zinc/20/16/53/1071201653.db2.gz VIZKWKRNXLCMNP-NUEKZKHPSA-N 1 2 418.454 -0.632 20 0 HBADLO O=C(NCc1nc2c(c(=O)[nH]1)COCC2)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001175213148 1071203668 /nfs/dbraw/zinc/20/36/68/1071203668.db2.gz BSNHRNCSUNUDOF-CYBMUJFWSA-N 1 2 405.455 -0.948 20 0 HBADLO O=C(NCc1nc2c(c(=O)[nH]1)COCC2)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001175213153 1071203720 /nfs/dbraw/zinc/20/37/20/1071203720.db2.gz BSNHRNCSUNUDOF-ZDUSSCGKSA-N 1 2 405.455 -0.948 20 0 HBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC001175219377 1071203752 /nfs/dbraw/zinc/20/37/52/1071203752.db2.gz FTKTUIQTLFMKPK-UHFFFAOYSA-N 1 2 406.512 -0.195 20 0 HBADLO NS(=O)(=O)NC1CC[NH+](CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001175220566 1071204331 /nfs/dbraw/zinc/20/43/31/1071204331.db2.gz WGPTVKFXBQSULK-UHFFFAOYSA-N 1 2 423.539 -0.204 20 0 HBADLO COCCOc1ccc(CNC(=O)C[N@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC001175220622 1071204385 /nfs/dbraw/zinc/20/43/85/1071204385.db2.gz XZNYDZCNCDIPFJ-UHFFFAOYSA-N 1 2 420.510 -0.002 20 0 HBADLO COCCOc1ccc(CNC(=O)C[N@@H+]2CCCN(C(=O)CNC(C)=O)CC2)cc1 ZINC001175220622 1071204380 /nfs/dbraw/zinc/20/43/80/1071204380.db2.gz XZNYDZCNCDIPFJ-UHFFFAOYSA-N 1 2 420.510 -0.002 20 0 HBADLO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001175291303 1071204985 /nfs/dbraw/zinc/20/49/85/1071204985.db2.gz DWSGIXVLOUGZRB-AWEZNQCLSA-N 1 2 407.500 -0.736 20 0 HBADLO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001175291304 1071204965 /nfs/dbraw/zinc/20/49/65/1071204965.db2.gz DWSGIXVLOUGZRB-CQSZACIVSA-N 1 2 407.500 -0.736 20 0 HBADLO NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001175291489 1071205075 /nfs/dbraw/zinc/20/50/75/1071205075.db2.gz HNLBOZUHKDXLPK-UHFFFAOYSA-N 1 2 405.480 -0.110 20 0 HBADLO O=C(CCNS(=O)(=O)c1cccnc1)N1CC[NH+](CCc2cnccn2)CC1 ZINC001175291878 1071205066 /nfs/dbraw/zinc/20/50/66/1071205066.db2.gz LLUNHLUCINSQLN-UHFFFAOYSA-N 1 2 404.496 -0.073 20 0 HBADLO Nc1ccccc1S(=O)(=O)NCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001175291981 1071205011 /nfs/dbraw/zinc/20/50/11/1071205011.db2.gz NLBVZZZRRJEDFX-UHFFFAOYSA-N 1 2 404.496 -0.276 20 0 HBADLO CC(C)c1nc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)no1 ZINC001175296939 1071205543 /nfs/dbraw/zinc/20/55/43/1071205543.db2.gz MHRROIIDUXWOHE-STQMWFEESA-N 1 2 403.443 -0.338 20 0 HBADLO CC(C)c1nc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)no1 ZINC001175296939 1071205537 /nfs/dbraw/zinc/20/55/37/1071205537.db2.gz MHRROIIDUXWOHE-STQMWFEESA-N 1 2 403.443 -0.338 20 0 HBADLO NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175350718 1071206101 /nfs/dbraw/zinc/20/61/01/1071206101.db2.gz XTQXDYYNWHNAKF-XKLVTHTNSA-N 1 2 404.427 -0.668 20 0 HBADLO COc1cccc(CCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001175357124 1071206278 /nfs/dbraw/zinc/20/62/78/1071206278.db2.gz CUJHNBBSFFLFMS-HOTGVXAUSA-N 1 2 414.466 -0.050 20 0 HBADLO COc1cccc(CCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001175357124 1071206267 /nfs/dbraw/zinc/20/62/67/1071206267.db2.gz CUJHNBBSFFLFMS-HOTGVXAUSA-N 1 2 414.466 -0.050 20 0 HBADLO COc1cccnc1CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001175512509 1071208022 /nfs/dbraw/zinc/20/80/22/1071208022.db2.gz KEEKDGFMCBSKMR-HOTGVXAUSA-N 1 2 414.466 -0.050 20 0 HBADLO COc1cccnc1CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001175512509 1071208006 /nfs/dbraw/zinc/20/80/06/1071208006.db2.gz KEEKDGFMCBSKMR-HOTGVXAUSA-N 1 2 414.466 -0.050 20 0 HBADLO NC(=O)C1([NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)CCS(=O)(=O)CC1 ZINC001175541480 1071210051 /nfs/dbraw/zinc/21/00/51/1071210051.db2.gz DMPYJRAHWNAPPR-UHFFFAOYSA-N 1 2 405.423 -0.074 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1ccc[nH]1 ZINC001175566678 1071210975 /nfs/dbraw/zinc/21/09/75/1071210975.db2.gz YDIHUUOFEDNGQN-GJZGRUSLSA-N 1 2 415.454 -0.939 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1ccc[nH]1 ZINC001175566678 1071210954 /nfs/dbraw/zinc/21/09/54/1071210954.db2.gz YDIHUUOFEDNGQN-GJZGRUSLSA-N 1 2 415.454 -0.939 20 0 HBADLO Cn1nncc1C1(O)CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)C1 ZINC001175722606 1071213044 /nfs/dbraw/zinc/21/30/44/1071213044.db2.gz FXVOCAKZUZZGRN-HNNXBMFYSA-N 1 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CNC(=O)CN(CC(=O)NC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC001175898401 1071214678 /nfs/dbraw/zinc/21/46/78/1071214678.db2.gz NWZRZSLAGFCDRH-UHFFFAOYSA-N 1 2 419.530 -0.649 20 0 HBADLO COc1ncccc1CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001176268337 1071218855 /nfs/dbraw/zinc/21/88/55/1071218855.db2.gz PMGAWNJSUPFBQJ-GJZGRUSLSA-N 1 2 400.439 -0.440 20 0 HBADLO COc1ncccc1CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001176268337 1071218850 /nfs/dbraw/zinc/21/88/50/1071218850.db2.gz PMGAWNJSUPFBQJ-GJZGRUSLSA-N 1 2 400.439 -0.440 20 0 HBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC001176304661 1071219741 /nfs/dbraw/zinc/21/97/41/1071219741.db2.gz KAHBGTRWJPFUSX-UHFFFAOYSA-N 1 2 400.476 -0.079 20 0 HBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC001176304661 1071219737 /nfs/dbraw/zinc/21/97/37/1071219737.db2.gz KAHBGTRWJPFUSX-UHFFFAOYSA-N 1 2 400.476 -0.079 20 0 HBADLO CNC(=O)CN1CCC[N@@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC001176305113 1071219674 /nfs/dbraw/zinc/21/96/74/1071219674.db2.gz XKHAQLRAWPUMBW-UHFFFAOYSA-N 1 2 401.511 -0.051 20 0 HBADLO CNC(=O)CN1CCC[N@H+](CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC001176305113 1071219667 /nfs/dbraw/zinc/21/96/67/1071219667.db2.gz XKHAQLRAWPUMBW-UHFFFAOYSA-N 1 2 401.511 -0.051 20 0 HBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC001176305113 1071219660 /nfs/dbraw/zinc/21/96/60/1071219660.db2.gz XKHAQLRAWPUMBW-UHFFFAOYSA-N 1 2 401.511 -0.051 20 0 HBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 ZINC001176305113 1071219648 /nfs/dbraw/zinc/21/96/48/1071219648.db2.gz XKHAQLRAWPUMBW-UHFFFAOYSA-N 1 2 401.511 -0.051 20 0 HBADLO Cc1nnc(CCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)s1 ZINC001176336041 1071219433 /nfs/dbraw/zinc/21/94/33/1071219433.db2.gz ZVQSUQNKINJIOO-STQMWFEESA-N 1 2 405.484 -0.294 20 0 HBADLO Cc1nnc(CCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)s1 ZINC001176336041 1071219421 /nfs/dbraw/zinc/21/94/21/1071219421.db2.gz ZVQSUQNKINJIOO-STQMWFEESA-N 1 2 405.484 -0.294 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001176353520 1071220785 /nfs/dbraw/zinc/22/07/85/1071220785.db2.gz DGXJPPLZEKYFHB-DZGCQCFKSA-N 1 2 406.468 -0.569 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001176353520 1071220781 /nfs/dbraw/zinc/22/07/81/1071220781.db2.gz DGXJPPLZEKYFHB-DZGCQCFKSA-N 1 2 406.468 -0.569 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001176353523 1071220660 /nfs/dbraw/zinc/22/06/60/1071220660.db2.gz DGXJPPLZEKYFHB-UKRRQHHQSA-N 1 2 406.468 -0.569 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001176353523 1071220651 /nfs/dbraw/zinc/22/06/51/1071220651.db2.gz DGXJPPLZEKYFHB-UKRRQHHQSA-N 1 2 406.468 -0.569 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001176354343 1071220287 /nfs/dbraw/zinc/22/02/87/1071220287.db2.gz AKIXSTKBMFATMP-QBPKDAKJSA-N 1 2 405.455 -0.231 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001176354343 1071220276 /nfs/dbraw/zinc/22/02/76/1071220276.db2.gz AKIXSTKBMFATMP-QBPKDAKJSA-N 1 2 405.455 -0.231 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001176354444 1071220626 /nfs/dbraw/zinc/22/06/26/1071220626.db2.gz BKALEFXCWWBPCE-IJEWVQPXSA-N 1 2 412.516 -0.956 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CCN(S(=O)(=O)N(C)C)C[C@@H]2C1 ZINC001176354444 1071220623 /nfs/dbraw/zinc/22/06/23/1071220623.db2.gz BKALEFXCWWBPCE-IJEWVQPXSA-N 1 2 412.516 -0.956 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001176354452 1071220472 /nfs/dbraw/zinc/22/04/72/1071220472.db2.gz BVWMHCDKBUHYRG-OAHLLOKOSA-N 1 2 418.454 -0.365 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001176354452 1071220462 /nfs/dbraw/zinc/22/04/62/1071220462.db2.gz BVWMHCDKBUHYRG-OAHLLOKOSA-N 1 2 418.454 -0.365 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001176354481 1071220568 /nfs/dbraw/zinc/22/05/68/1071220568.db2.gz CZKLWQFJGYIHSS-CRAIPNDOSA-N 1 2 413.482 -0.066 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001176354481 1071220565 /nfs/dbraw/zinc/22/05/65/1071220565.db2.gz CZKLWQFJGYIHSS-CRAIPNDOSA-N 1 2 413.482 -0.066 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001176354482 1071220691 /nfs/dbraw/zinc/22/06/91/1071220691.db2.gz CZKLWQFJGYIHSS-MAUKXSAKSA-N 1 2 413.482 -0.066 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001176354482 1071220686 /nfs/dbraw/zinc/22/06/86/1071220686.db2.gz CZKLWQFJGYIHSS-MAUKXSAKSA-N 1 2 413.482 -0.066 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001176356104 1071221265 /nfs/dbraw/zinc/22/12/65/1071221265.db2.gz JLJNVAIBAGZJOC-BRSBDYLESA-N 1 2 421.498 -0.290 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001176356104 1071221258 /nfs/dbraw/zinc/22/12/58/1071221258.db2.gz JLJNVAIBAGZJOC-BRSBDYLESA-N 1 2 421.498 -0.290 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](NC(=O)c2cccn2C)[C@H]2COC[C@H]21 ZINC001176356155 1071221386 /nfs/dbraw/zinc/22/13/86/1071221386.db2.gz JROXEVQJCLGIPX-YFHUEUNASA-N 1 2 414.466 -0.549 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](NC(=O)c2cccn2C)[C@H]2COC[C@H]21 ZINC001176356155 1071221379 /nfs/dbraw/zinc/22/13/79/1071221379.db2.gz JROXEVQJCLGIPX-YFHUEUNASA-N 1 2 414.466 -0.549 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001176356650 1071221473 /nfs/dbraw/zinc/22/14/73/1071221473.db2.gz LWYQLHDCBBOADW-MBOZVWFJSA-N 1 2 403.483 -0.009 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001176356650 1071221467 /nfs/dbraw/zinc/22/14/67/1071221467.db2.gz LWYQLHDCBBOADW-MBOZVWFJSA-N 1 2 403.483 -0.009 20 0 HBADLO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(C)=O)CC2)n1 ZINC001176356775 1071221306 /nfs/dbraw/zinc/22/13/06/1071221306.db2.gz OCWBWDIMHRIAAX-OAHLLOKOSA-N 1 2 417.470 -0.392 20 0 HBADLO COc1cc(OC)nc(CN2CCN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(C)=O)CC2)n1 ZINC001176356775 1071221300 /nfs/dbraw/zinc/22/13/00/1071221300.db2.gz OCWBWDIMHRIAAX-OAHLLOKOSA-N 1 2 417.470 -0.392 20 0 HBADLO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)CC2 ZINC001176356797 1071221662 /nfs/dbraw/zinc/22/16/62/1071221662.db2.gz OLDZGCBCKMXNKH-HZPDHXFCSA-N 1 2 407.471 -0.630 20 0 HBADLO CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)CC2 ZINC001176356797 1071221655 /nfs/dbraw/zinc/22/16/55/1071221655.db2.gz OLDZGCBCKMXNKH-HZPDHXFCSA-N 1 2 407.471 -0.630 20 0 HBADLO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)CC2 ZINC001176356798 1071221529 /nfs/dbraw/zinc/22/15/29/1071221529.db2.gz OLDZGCBCKMXNKH-JKSUJKDBSA-N 1 2 407.471 -0.630 20 0 HBADLO CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)CC2 ZINC001176356798 1071221524 /nfs/dbraw/zinc/22/15/24/1071221524.db2.gz OLDZGCBCKMXNKH-JKSUJKDBSA-N 1 2 407.471 -0.630 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001176357630 1071221343 /nfs/dbraw/zinc/22/13/43/1071221343.db2.gz TZKZEVQVNAMFOM-OAHLLOKOSA-N 1 2 402.459 -0.541 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCn2c(CN(C)C(C)=O)nnc2C1 ZINC001176357630 1071221334 /nfs/dbraw/zinc/22/13/34/1071221334.db2.gz TZKZEVQVNAMFOM-OAHLLOKOSA-N 1 2 402.459 -0.541 20 0 HBADLO COCCN1CCO[C@H]2CN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(C)=O)CC[C@H]2C1=O ZINC001176357635 1071221766 /nfs/dbraw/zinc/22/17/66/1071221766.db2.gz UEBFQVKDUBCULR-ZACQAIPSSA-N 1 2 407.471 -0.821 20 0 HBADLO COCCN1CCO[C@H]2CN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(C)=O)CC[C@H]2C1=O ZINC001176357635 1071221759 /nfs/dbraw/zinc/22/17/59/1071221759.db2.gz UEBFQVKDUBCULR-ZACQAIPSSA-N 1 2 407.471 -0.821 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001176357637 1071221200 /nfs/dbraw/zinc/22/12/00/1071221200.db2.gz UEKJYYCAPORCSV-NRSFXHEJSA-N 1 2 419.482 -0.268 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001176357637 1071221196 /nfs/dbraw/zinc/22/11/96/1071221196.db2.gz UEKJYYCAPORCSV-NRSFXHEJSA-N 1 2 419.482 -0.268 20 0 HBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001176357766 1071221229 /nfs/dbraw/zinc/22/12/29/1071221229.db2.gz WWSNXOCTJPEGEC-RHSMWYFYSA-N 1 2 417.470 -0.925 20 0 HBADLO COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001176357766 1071221219 /nfs/dbraw/zinc/22/12/19/1071221219.db2.gz WWSNXOCTJPEGEC-RHSMWYFYSA-N 1 2 417.470 -0.925 20 0 HBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001176357771 1071221606 /nfs/dbraw/zinc/22/16/06/1071221606.db2.gz WWSNXOCTJPEGEC-WMLDXEAASA-N 1 2 417.470 -0.925 20 0 HBADLO COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001176357771 1071221596 /nfs/dbraw/zinc/22/15/96/1071221596.db2.gz WWSNXOCTJPEGEC-WMLDXEAASA-N 1 2 417.470 -0.925 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001176357777 1071221740 /nfs/dbraw/zinc/22/17/40/1071221740.db2.gz WXOISGYJDCPFLI-XLIONFOSSA-N 1 2 421.498 -0.431 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001176357777 1071221732 /nfs/dbraw/zinc/22/17/32/1071221732.db2.gz WXOISGYJDCPFLI-XLIONFOSSA-N 1 2 421.498 -0.431 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001176357779 1071221636 /nfs/dbraw/zinc/22/16/36/1071221636.db2.gz WXOISGYJDCPFLI-YLJYHZDGSA-N 1 2 421.498 -0.431 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001176357779 1071221628 /nfs/dbraw/zinc/22/16/28/1071221628.db2.gz WXOISGYJDCPFLI-YLJYHZDGSA-N 1 2 421.498 -0.431 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001176358165 1071221570 /nfs/dbraw/zinc/22/15/70/1071221570.db2.gz YRRDRNINPFHCEK-OXQOHEQNSA-N 1 2 418.498 -0.614 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001176358165 1071221562 /nfs/dbraw/zinc/22/15/62/1071221562.db2.gz YRRDRNINPFHCEK-OXQOHEQNSA-N 1 2 418.498 -0.614 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001176358169 1071221714 /nfs/dbraw/zinc/22/17/14/1071221714.db2.gz YRRDRNINPFHCEK-UZLBHIALSA-N 1 2 418.498 -0.614 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001176358169 1071221711 /nfs/dbraw/zinc/22/17/11/1071221711.db2.gz YRRDRNINPFHCEK-UZLBHIALSA-N 1 2 418.498 -0.614 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001176358220 1071222065 /nfs/dbraw/zinc/22/20/65/1071222065.db2.gz YXUFTIPVMAUAKC-IDHHARJASA-N 1 2 406.487 -0.122 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001176358220 1071222055 /nfs/dbraw/zinc/22/20/55/1071222055.db2.gz YXUFTIPVMAUAKC-IDHHARJASA-N 1 2 406.487 -0.122 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001176358250 1071222195 /nfs/dbraw/zinc/22/21/95/1071222195.db2.gz ZEJJBSYCCDNABB-QMCVQRASSA-N 1 2 406.487 -0.408 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2CO[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC001176358250 1071222184 /nfs/dbraw/zinc/22/21/84/1071222184.db2.gz ZEJJBSYCCDNABB-QMCVQRASSA-N 1 2 406.487 -0.408 20 0 HBADLO COc1ccc(C[C@@H](C)NC(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(C)=O)cc1S(N)(=O)=O ZINC001176380414 1071219569 /nfs/dbraw/zinc/21/95/69/1071219569.db2.gz QYTLGSGNDOFMOV-IAQYHMDHSA-N 1 2 423.495 -0.140 20 0 HBADLO COc1ccc(C[C@@H](C)NC(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(C)=O)cc1S(N)(=O)=O ZINC001176380414 1071219561 /nfs/dbraw/zinc/21/95/61/1071219561.db2.gz QYTLGSGNDOFMOV-IAQYHMDHSA-N 1 2 423.495 -0.140 20 0 HBADLO COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001176380468 1071219767 /nfs/dbraw/zinc/21/97/67/1071219767.db2.gz RXODULGHJRUBEO-DOTOQJQBSA-N 1 2 401.467 -0.061 20 0 HBADLO COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001176380468 1071219760 /nfs/dbraw/zinc/21/97/60/1071219760.db2.gz RXODULGHJRUBEO-DOTOQJQBSA-N 1 2 401.467 -0.061 20 0 HBADLO COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O)C2 ZINC001176380798 1071219726 /nfs/dbraw/zinc/21/97/26/1071219726.db2.gz RXODULGHJRUBEO-NVXWUHKLSA-N 1 2 401.467 -0.061 20 0 HBADLO COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O)C2 ZINC001176380798 1071219721 /nfs/dbraw/zinc/21/97/21/1071219721.db2.gz RXODULGHJRUBEO-NVXWUHKLSA-N 1 2 401.467 -0.061 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001176381456 1071219500 /nfs/dbraw/zinc/21/95/00/1071219500.db2.gz ZSVMOBOOVWYRAR-MRXNPFEDSA-N 1 2 401.423 -0.567 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC(=O)NCC(=O)OCc1ccccc1 ZINC001176381456 1071219482 /nfs/dbraw/zinc/21/94/82/1071219482.db2.gz ZSVMOBOOVWYRAR-MRXNPFEDSA-N 1 2 401.423 -0.567 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001176385517 1071220607 /nfs/dbraw/zinc/22/06/07/1071220607.db2.gz RDTOQXGNEVYVIF-MRXNPFEDSA-N 1 2 420.495 -0.179 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCN(S(=O)(=O)c2ccccn2)CC1 ZINC001176385517 1071220602 /nfs/dbraw/zinc/22/06/02/1071220602.db2.gz RDTOQXGNEVYVIF-MRXNPFEDSA-N 1 2 420.495 -0.179 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001176385791 1071220543 /nfs/dbraw/zinc/22/05/43/1071220543.db2.gz WEHNJLJQKUAWNZ-OAHLLOKOSA-N 1 2 422.486 -0.348 20 0 HBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001176385791 1071220532 /nfs/dbraw/zinc/22/05/32/1071220532.db2.gz WEHNJLJQKUAWNZ-OAHLLOKOSA-N 1 2 422.486 -0.348 20 0 HBADLO CC[C@H]1C(=O)NCCC[N@@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC001176402109 1071224871 /nfs/dbraw/zinc/22/48/71/1071224871.db2.gz LXASNUQJJFKFAH-HNNXBMFYSA-N 1 2 400.487 -0.388 20 0 HBADLO CC[C@H]1C(=O)NCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC001176402109 1071224863 /nfs/dbraw/zinc/22/48/63/1071224863.db2.gz LXASNUQJJFKFAH-HNNXBMFYSA-N 1 2 400.487 -0.388 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)NC[C@H]2C(C)(C)C)CC1 ZINC001176474508 1071226298 /nfs/dbraw/zinc/22/62/98/1071226298.db2.gz LCNVSDUMNWPVSA-HNNXBMFYSA-N 1 2 414.514 -0.142 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2CC(=O)NC[C@@H]2C(C)(C)C)CC1 ZINC001176474509 1071226391 /nfs/dbraw/zinc/22/63/91/1071226391.db2.gz LCNVSDUMNWPVSA-OAHLLOKOSA-N 1 2 414.514 -0.142 20 0 HBADLO COc1cc(CNC(=O)C[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc(OC)c1OC ZINC001176523370 1071227018 /nfs/dbraw/zinc/22/70/18/1071227018.db2.gz CQNKDJSIYVIOTP-FQEVSTJZSA-N 1 2 409.483 -0.293 20 0 HBADLO COc1cc(CNC(=O)C[N@@H+]2CCN3CCOC[C@@]3(CO)C2)cc(OC)c1OC ZINC001176523370 1071227005 /nfs/dbraw/zinc/22/70/05/1071227005.db2.gz CQNKDJSIYVIOTP-FQEVSTJZSA-N 1 2 409.483 -0.293 20 0 HBADLO COc1cc(CNC(=O)C[N@H+]2CCN3CCOC[C@]3(CO)C2)cc(OC)c1OC ZINC001176523373 1071226855 /nfs/dbraw/zinc/22/68/55/1071226855.db2.gz CQNKDJSIYVIOTP-HXUWFJFHSA-N 1 2 409.483 -0.293 20 0 HBADLO COc1cc(CNC(=O)C[N@@H+]2CCN3CCOC[C@]3(CO)C2)cc(OC)c1OC ZINC001176523373 1071226844 /nfs/dbraw/zinc/22/68/44/1071226844.db2.gz CQNKDJSIYVIOTP-HXUWFJFHSA-N 1 2 409.483 -0.293 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001176602753 1071230817 /nfs/dbraw/zinc/23/08/17/1071230817.db2.gz UJPNIZXVNOSLOM-INIZCTEOSA-N 1 2 421.479 -0.482 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001176602753 1071230806 /nfs/dbraw/zinc/23/08/06/1071230806.db2.gz UJPNIZXVNOSLOM-INIZCTEOSA-N 1 2 421.479 -0.482 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(C)c1I ZINC001176602759 1071230770 /nfs/dbraw/zinc/23/07/70/1071230770.db2.gz UOPHJVLKVBXHKW-VIFPVBQESA-N 1 2 402.196 -0.165 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(C)c1I ZINC001176602759 1071230764 /nfs/dbraw/zinc/23/07/64/1071230764.db2.gz UOPHJVLKVBXHKW-VIFPVBQESA-N 1 2 402.196 -0.165 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001176602865 1071230660 /nfs/dbraw/zinc/23/06/60/1071230660.db2.gz YNVBHLBHQSYTTN-INIZCTEOSA-N 1 2 410.434 -0.745 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001176602865 1071230655 /nfs/dbraw/zinc/23/06/55/1071230655.db2.gz YNVBHLBHQSYTTN-INIZCTEOSA-N 1 2 410.434 -0.745 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001176610723 1071228941 /nfs/dbraw/zinc/22/89/41/1071228941.db2.gz FFYFTZHVUXADAK-HEHGZKQESA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001176610723 1071228934 /nfs/dbraw/zinc/22/89/34/1071228934.db2.gz FFYFTZHVUXADAK-HEHGZKQESA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001176610724 1071228914 /nfs/dbraw/zinc/22/89/14/1071228914.db2.gz FFYFTZHVUXADAK-WOSRLPQWSA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001176610724 1071228909 /nfs/dbraw/zinc/22/89/09/1071228909.db2.gz FFYFTZHVUXADAK-WOSRLPQWSA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001176610725 1071228687 /nfs/dbraw/zinc/22/86/87/1071228687.db2.gz FFYFTZHVUXADAK-XEZPLFJOSA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001176610725 1071228676 /nfs/dbraw/zinc/22/86/76/1071228676.db2.gz FFYFTZHVUXADAK-XEZPLFJOSA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001176610726 1071228500 /nfs/dbraw/zinc/22/85/00/1071228500.db2.gz FFYFTZHVUXADAK-ZENOOKHLSA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001176610726 1071228491 /nfs/dbraw/zinc/22/84/91/1071228491.db2.gz FFYFTZHVUXADAK-ZENOOKHLSA-N 1 2 400.357 -0.006 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611940 1071228630 /nfs/dbraw/zinc/22/86/30/1071228630.db2.gz PGKQEAGGHFZYIZ-BHYGNILZSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611940 1071228615 /nfs/dbraw/zinc/22/86/15/1071228615.db2.gz PGKQEAGGHFZYIZ-BHYGNILZSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611948 1071228857 /nfs/dbraw/zinc/22/88/57/1071228857.db2.gz PGKQEAGGHFZYIZ-HYVNUMGLSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611948 1071228848 /nfs/dbraw/zinc/22/88/48/1071228848.db2.gz PGKQEAGGHFZYIZ-HYVNUMGLSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611950 1071228752 /nfs/dbraw/zinc/22/87/52/1071228752.db2.gz PGKQEAGGHFZYIZ-PVAVHDDUSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611950 1071228744 /nfs/dbraw/zinc/22/87/44/1071228744.db2.gz PGKQEAGGHFZYIZ-PVAVHDDUSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611951 1071228889 /nfs/dbraw/zinc/22/88/89/1071228889.db2.gz PGKQEAGGHFZYIZ-XIRDDKMYSA-N 1 2 417.441 -0.473 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F ZINC001176611951 1071228880 /nfs/dbraw/zinc/22/88/80/1071228880.db2.gz PGKQEAGGHFZYIZ-XIRDDKMYSA-N 1 2 417.441 -0.473 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@H](CS(N)(=O)=O)C2)ccc1C ZINC001176699200 1071231467 /nfs/dbraw/zinc/23/14/67/1071231467.db2.gz IPEFBOHNBCAMSQ-GFCCVEGCSA-N 1 2 404.514 -0.548 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)ccc1C ZINC001176699200 1071231462 /nfs/dbraw/zinc/23/14/62/1071231462.db2.gz IPEFBOHNBCAMSQ-GFCCVEGCSA-N 1 2 404.514 -0.548 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@H](CS(N)(=O)=O)C2)ccc1C ZINC001176699201 1071231302 /nfs/dbraw/zinc/23/13/02/1071231302.db2.gz IPEFBOHNBCAMSQ-LBPRGKRZSA-N 1 2 404.514 -0.548 20 0 HBADLO CNS(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@H](CS(N)(=O)=O)C2)ccc1C ZINC001176699201 1071231294 /nfs/dbraw/zinc/23/12/94/1071231294.db2.gz IPEFBOHNBCAMSQ-LBPRGKRZSA-N 1 2 404.514 -0.548 20 0 HBADLO NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1Nc1ccc[nH+]c1N1CCCC1 ZINC001176750452 1071232222 /nfs/dbraw/zinc/23/22/22/1071232222.db2.gz TWIATDRNIUASHP-XWXWGSFUSA-N 1 2 404.427 -0.668 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cn1ccnc12 ZINC001176772288 1071237232 /nfs/dbraw/zinc/23/72/32/1071237232.db2.gz CJMXRUYZENRDDT-CVEARBPZSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)Cn1ccnc12 ZINC001176772288 1071237227 /nfs/dbraw/zinc/23/72/27/1071237227.db2.gz CJMXRUYZENRDDT-CVEARBPZSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)Cn1ccnc12 ZINC001176772289 1071237291 /nfs/dbraw/zinc/23/72/91/1071237291.db2.gz CJMXRUYZENRDDT-HOTGVXAUSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)Cn1ccnc12 ZINC001176772289 1071237286 /nfs/dbraw/zinc/23/72/86/1071237286.db2.gz CJMXRUYZENRDDT-HOTGVXAUSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cn1ccnc12 ZINC001176772290 1071237317 /nfs/dbraw/zinc/23/73/17/1071237317.db2.gz CJMXRUYZENRDDT-HZPDHXFCSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)Cn1ccnc12 ZINC001176772290 1071237314 /nfs/dbraw/zinc/23/73/14/1071237314.db2.gz CJMXRUYZENRDDT-HZPDHXFCSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)Cn1ccnc12 ZINC001176772291 1071237210 /nfs/dbraw/zinc/23/72/10/1071237210.db2.gz CJMXRUYZENRDDT-JKSUJKDBSA-N 1 2 420.514 -0.299 20 0 HBADLO CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)Cn1ccnc12 ZINC001176772291 1071237199 /nfs/dbraw/zinc/23/71/99/1071237199.db2.gz CJMXRUYZENRDDT-JKSUJKDBSA-N 1 2 420.514 -0.299 20 0 HBADLO CC(C)(CNS(N)(=O)=O)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001176780549 1071233057 /nfs/dbraw/zinc/23/30/57/1071233057.db2.gz VEBBAIFOEQNHLM-UHFFFAOYSA-N 1 2 412.516 -0.802 20 0 HBADLO Cn1ccnc1C1(O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001176790255 1071233512 /nfs/dbraw/zinc/23/35/12/1071233512.db2.gz BWEBCGSAFQEXJI-INIZCTEOSA-N 1 2 405.499 -0.589 20 0 HBADLO Cn1ccnc1C1(O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001176790262 1071233623 /nfs/dbraw/zinc/23/36/23/1071233623.db2.gz BWEBCGSAFQEXJI-MRXNPFEDSA-N 1 2 405.499 -0.589 20 0 HBADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001176829046 1071240379 /nfs/dbraw/zinc/24/03/79/1071240379.db2.gz KNXRMEJLUNQQQL-LSDHHAIUSA-N 1 2 418.479 -0.498 20 0 HBADLO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)C1=O ZINC001176829064 1071240494 /nfs/dbraw/zinc/24/04/94/1071240494.db2.gz LFWFFZYPCBOMAH-GOSISDBHSA-N 1 2 409.512 -0.315 20 0 HBADLO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)Cc2c[nH+]c[nH]2)CC3)C1=O ZINC001176829065 1071240701 /nfs/dbraw/zinc/24/07/01/1071240701.db2.gz LFWFFZYPCBOMAH-SFHVURJKSA-N 1 2 409.512 -0.315 20 0 HBADLO O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001176829541 1071240669 /nfs/dbraw/zinc/24/06/69/1071240669.db2.gz UQUUGYXUQJZIEI-RYRKJORJSA-N 1 2 403.464 -0.069 20 0 HBADLO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001176833231 1071240626 /nfs/dbraw/zinc/24/06/26/1071240626.db2.gz FMITYGBGUFBRDO-UHFFFAOYSA-N 1 2 401.489 -0.049 20 0 HBADLO O=C(CCn1cc[nH+]c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001176874086 1071242023 /nfs/dbraw/zinc/24/20/23/1071242023.db2.gz MYXRLANPLWHATL-ARFHVFGLSA-N 1 2 410.496 -0.606 20 0 HBADLO O=C(CCn1cc[nH+]c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001176874087 1071242116 /nfs/dbraw/zinc/24/21/16/1071242116.db2.gz MYXRLANPLWHATL-BZUAXINKSA-N 1 2 410.496 -0.606 20 0 HBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)C(=O)NCC(N)=O ZINC001176877429 1071242137 /nfs/dbraw/zinc/24/21/37/1071242137.db2.gz DTRSNIBWYJEUFQ-GJZGRUSLSA-N 1 2 406.487 -0.603 20 0 HBADLO NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CCn2cc[nH+]c2)cc1Cl ZINC001176878478 1071242047 /nfs/dbraw/zinc/24/20/47/1071242047.db2.gz SSKAZHMBOLZFSV-UHFFFAOYSA-N 1 2 407.861 -0.140 20 0 HBADLO O=C(CCn1cc[nH+]c1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC001176878798 1071241979 /nfs/dbraw/zinc/24/19/79/1071241979.db2.gz LGUFEHDIOSPSGE-DEORAPPZSA-N 1 2 409.464 -0.196 20 0 HBADLO O=C(CCn1cc[nH+]c1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001176878799 1071242103 /nfs/dbraw/zinc/24/21/03/1071242103.db2.gz LGUFEHDIOSPSGE-QSGXVVIFSA-N 1 2 409.464 -0.196 20 0 HBADLO O=C(CCn1cc[nH+]c1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001176878800 1071241933 /nfs/dbraw/zinc/24/19/33/1071241933.db2.gz LGUFEHDIOSPSGE-WJNMYVKJSA-N 1 2 409.464 -0.196 20 0 HBADLO O=C(CCn1cc[nH+]c1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 ZINC001176878801 1071242063 /nfs/dbraw/zinc/24/20/63/1071242063.db2.gz LGUFEHDIOSPSGE-XNJHUCFUSA-N 1 2 409.464 -0.196 20 0 HBADLO Cc1nc(C)n(CC(=O)N2CCc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)n1 ZINC001176898902 1071243586 /nfs/dbraw/zinc/24/35/86/1071243586.db2.gz WYYKTPJSLHWJKC-UHFFFAOYSA-N 1 2 400.487 -0.399 20 0 HBADLO Cc1nnc(SCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)s1 ZINC001176930544 1071243507 /nfs/dbraw/zinc/24/35/07/1071243507.db2.gz HNJHHPBNDIYYNA-RYUDHWBXSA-N 1 2 423.524 -0.134 20 0 HBADLO Cc1nnc(SCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)s1 ZINC001176930544 1071243501 /nfs/dbraw/zinc/24/35/01/1071243501.db2.gz HNJHHPBNDIYYNA-RYUDHWBXSA-N 1 2 423.524 -0.134 20 0 HBADLO O=C(CN1CCN(c2ncccn2)CC1)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001176975976 1071244831 /nfs/dbraw/zinc/24/48/31/1071244831.db2.gz YAOVRJBEQUUHSN-UHFFFAOYSA-N 1 2 400.487 -0.234 20 0 HBADLO O=C(CN1CCN(c2ncccn2)CC1)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001176979423 1071244776 /nfs/dbraw/zinc/24/47/76/1071244776.db2.gz HRUJGXCSKYUCCR-UHFFFAOYSA-N 1 2 422.497 -0.133 20 0 HBADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC(=O)CN1CCN(c2ncccn2)CC1 ZINC001176985154 1071245451 /nfs/dbraw/zinc/24/54/51/1071245451.db2.gz XFVZIJNCOXFDPZ-INIZCTEOSA-N 1 2 401.471 -0.377 20 0 HBADLO Cc1n[nH]c(C)c1CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001177044597 1071246890 /nfs/dbraw/zinc/24/68/90/1071246890.db2.gz CLXBFOMXNBXCGW-HOTGVXAUSA-N 1 2 401.471 -0.114 20 0 HBADLO Cc1n[nH]c(C)c1CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001177044597 1071246873 /nfs/dbraw/zinc/24/68/73/1071246873.db2.gz CLXBFOMXNBXCGW-HOTGVXAUSA-N 1 2 401.471 -0.114 20 0 HBADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001177085079 1071249377 /nfs/dbraw/zinc/24/93/77/1071249377.db2.gz SCNDFKKLARFSHV-CYBMUJFWSA-N 1 2 401.489 -0.051 20 0 HBADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001177085079 1071249371 /nfs/dbraw/zinc/24/93/71/1071249371.db2.gz SCNDFKKLARFSHV-CYBMUJFWSA-N 1 2 401.489 -0.051 20 0 HBADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001177085080 1071249311 /nfs/dbraw/zinc/24/93/11/1071249311.db2.gz SCNDFKKLARFSHV-ZDUSSCGKSA-N 1 2 401.489 -0.051 20 0 HBADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001177085080 1071249304 /nfs/dbraw/zinc/24/93/04/1071249304.db2.gz SCNDFKKLARFSHV-ZDUSSCGKSA-N 1 2 401.489 -0.051 20 0 HBADLO CN1CCN(C2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)C2)CC1=O ZINC001177085101 1071249002 /nfs/dbraw/zinc/24/90/02/1071249002.db2.gz SQQOVZKJZWPRTA-HNNXBMFYSA-N 1 2 406.487 -0.170 20 0 HBADLO CN1CCN(C2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)C2)CC1=O ZINC001177085101 1071248995 /nfs/dbraw/zinc/24/89/95/1071248995.db2.gz SQQOVZKJZWPRTA-HNNXBMFYSA-N 1 2 406.487 -0.170 20 0 HBADLO CN1CCN(C2CN(C(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)C2)CC1=O ZINC001177085102 1071249193 /nfs/dbraw/zinc/24/91/93/1071249193.db2.gz SQQOVZKJZWPRTA-OAHLLOKOSA-N 1 2 406.487 -0.170 20 0 HBADLO CN1CCN(C2CN(C(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)C2)CC1=O ZINC001177085102 1071249180 /nfs/dbraw/zinc/24/91/80/1071249180.db2.gz SQQOVZKJZWPRTA-OAHLLOKOSA-N 1 2 406.487 -0.170 20 0 HBADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001177091969 1071249412 /nfs/dbraw/zinc/24/94/12/1071249412.db2.gz NAOYDMFKZJAGON-AWEZNQCLSA-N 1 2 421.454 -0.097 20 0 HBADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001177091969 1071249407 /nfs/dbraw/zinc/24/94/07/1071249407.db2.gz NAOYDMFKZJAGON-AWEZNQCLSA-N 1 2 421.454 -0.097 20 0 HBADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001177091970 1071249532 /nfs/dbraw/zinc/24/95/32/1071249532.db2.gz NAOYDMFKZJAGON-CQSZACIVSA-N 1 2 421.454 -0.097 20 0 HBADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001177091970 1071249520 /nfs/dbraw/zinc/24/95/20/1071249520.db2.gz NAOYDMFKZJAGON-CQSZACIVSA-N 1 2 421.454 -0.097 20 0 HBADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCS1(=O)=O ZINC001177095798 1071249456 /nfs/dbraw/zinc/24/94/56/1071249456.db2.gz RPVYSAIZRZGOSZ-CYBMUJFWSA-N 1 2 401.489 -0.003 20 0 HBADLO CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CCCS1(=O)=O ZINC001177095798 1071249445 /nfs/dbraw/zinc/24/94/45/1071249445.db2.gz RPVYSAIZRZGOSZ-CYBMUJFWSA-N 1 2 401.489 -0.003 20 0 HBADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCN1CCCS1(=O)=O ZINC001177095800 1071249245 /nfs/dbraw/zinc/24/92/45/1071249245.db2.gz RPVYSAIZRZGOSZ-ZDUSSCGKSA-N 1 2 401.489 -0.003 20 0 HBADLO CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCN1CCCS1(=O)=O ZINC001177095800 1071249229 /nfs/dbraw/zinc/24/92/29/1071249229.db2.gz RPVYSAIZRZGOSZ-ZDUSSCGKSA-N 1 2 401.489 -0.003 20 0 HBADLO CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12COC2 ZINC001177118608 1071248335 /nfs/dbraw/zinc/24/83/35/1071248335.db2.gz NWQSGIVBGFEPAG-CVEARBPZSA-N 1 2 409.483 -0.795 20 0 HBADLO CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12COC2 ZINC001177118609 1071248506 /nfs/dbraw/zinc/24/85/06/1071248506.db2.gz NWQSGIVBGFEPAG-HOTGVXAUSA-N 1 2 409.483 -0.795 20 0 HBADLO CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12COC2 ZINC001177118610 1071248489 /nfs/dbraw/zinc/24/84/89/1071248489.db2.gz NWQSGIVBGFEPAG-HZPDHXFCSA-N 1 2 409.483 -0.795 20 0 HBADLO CCOC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC12COC2 ZINC001177118611 1071248346 /nfs/dbraw/zinc/24/83/46/1071248346.db2.gz NWQSGIVBGFEPAG-JKSUJKDBSA-N 1 2 409.483 -0.795 20 0 HBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001177128268 1071249118 /nfs/dbraw/zinc/24/91/18/1071249118.db2.gz KCAIFMCVPHZSBX-INIZCTEOSA-N 1 2 424.523 -0.352 20 0 HBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001177128268 1071249111 /nfs/dbraw/zinc/24/91/11/1071249111.db2.gz KCAIFMCVPHZSBX-INIZCTEOSA-N 1 2 424.523 -0.352 20 0 HBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001177128269 1071249497 /nfs/dbraw/zinc/24/94/97/1071249497.db2.gz KCAIFMCVPHZSBX-MRXNPFEDSA-N 1 2 424.523 -0.352 20 0 HBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001177128269 1071249488 /nfs/dbraw/zinc/24/94/88/1071249488.db2.gz KCAIFMCVPHZSBX-MRXNPFEDSA-N 1 2 424.523 -0.352 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1cncc(Cl)n1 ZINC001177236639 1071252257 /nfs/dbraw/zinc/25/22/57/1071252257.db2.gz BDDLOYICVHASCM-STQMWFEESA-N 1 2 405.846 -0.401 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1cncc(Cl)n1 ZINC001177236639 1071252250 /nfs/dbraw/zinc/25/22/50/1071252250.db2.gz BDDLOYICVHASCM-STQMWFEESA-N 1 2 405.846 -0.401 20 0 HBADLO Cn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@@H+]3C)c1CC(=O)[O-] ZINC001177364286 1071258996 /nfs/dbraw/zinc/25/89/96/1071258996.db2.gz LUBMVXXMJTVFBF-UHFFFAOYSA-N 1 2 419.526 -0.037 20 0 HBADLO Cn1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CC[N@H+]3C)c1CC(=O)[O-] ZINC001177364286 1071258986 /nfs/dbraw/zinc/25/89/86/1071258986.db2.gz LUBMVXXMJTVFBF-UHFFFAOYSA-N 1 2 419.526 -0.037 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)Cc1ncc(F)cn1)CC2 ZINC001177400558 1071259843 /nfs/dbraw/zinc/25/98/43/1071259843.db2.gz FTMXNRIEZVESOR-UHFFFAOYSA-N 1 2 401.446 -0.136 20 0 HBADLO Cn1cnnc1CCC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001177424781 1071259756 /nfs/dbraw/zinc/25/97/56/1071259756.db2.gz HMHQWJPXQHRXNY-INIZCTEOSA-N 1 2 417.514 -0.044 20 0 HBADLO Cn1cnnc1CCC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001177424789 1071259731 /nfs/dbraw/zinc/25/97/31/1071259731.db2.gz HMHQWJPXQHRXNY-MRXNPFEDSA-N 1 2 417.514 -0.044 20 0 HBADLO Cn1cnnc1CCC(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001177424885 1071259645 /nfs/dbraw/zinc/25/96/45/1071259645.db2.gz IDEAVYSNGFZLNN-UHFFFAOYSA-N 1 2 400.487 -0.546 20 0 HBADLO Cc1nnc(CC(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH]1 ZINC001177435998 1071261082 /nfs/dbraw/zinc/26/10/82/1071261082.db2.gz JSTRVTLWOULFHV-HNNXBMFYSA-N 1 2 403.487 -0.136 20 0 HBADLO Cc1nnc(CC(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH]1 ZINC001177435999 1071260908 /nfs/dbraw/zinc/26/09/08/1071260908.db2.gz JSTRVTLWOULFHV-OAHLLOKOSA-N 1 2 403.487 -0.136 20 0 HBADLO CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001177476644 1071262428 /nfs/dbraw/zinc/26/24/28/1071262428.db2.gz WCZYONPKVUNAJR-BBWFWOEESA-N 1 2 411.499 -0.216 20 0 HBADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001177476645 1071262698 /nfs/dbraw/zinc/26/26/98/1071262698.db2.gz WCZYONPKVUNAJR-IKGGRYGDSA-N 1 2 411.499 -0.216 20 0 HBADLO CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001177476646 1071262816 /nfs/dbraw/zinc/26/28/16/1071262816.db2.gz WCZYONPKVUNAJR-ULQDDVLXSA-N 1 2 411.499 -0.216 20 0 HBADLO CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001177476647 1071262549 /nfs/dbraw/zinc/26/25/49/1071262549.db2.gz WCZYONPKVUNAJR-ZACQAIPSSA-N 1 2 411.499 -0.216 20 0 HBADLO Cc1ccnc(SCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001177501915 1071262790 /nfs/dbraw/zinc/26/27/90/1071262790.db2.gz KBTMUYZXALAQJN-KBPBESRZSA-N 1 2 417.495 -0.196 20 0 HBADLO Cc1ccnc(SCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001177501915 1071262775 /nfs/dbraw/zinc/26/27/75/1071262775.db2.gz KBTMUYZXALAQJN-KBPBESRZSA-N 1 2 417.495 -0.196 20 0 HBADLO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC001177559157 1071263553 /nfs/dbraw/zinc/26/35/53/1071263553.db2.gz BUWREGVDRKLRCZ-KRWDZBQOSA-N 1 2 413.478 -0.572 20 0 HBADLO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCn2cc[nH]c(=O)c2=O)CC1 ZINC001177559158 1071263311 /nfs/dbraw/zinc/26/33/11/1071263311.db2.gz BUWREGVDRKLRCZ-QGZVFWFLSA-N 1 2 413.478 -0.572 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@@H]2CCC[N@H+]2Cc2ccco2)c(=O)n1 ZINC001177626397 1071265205 /nfs/dbraw/zinc/26/52/05/1071265205.db2.gz PLKBKQBVDYDDIV-IQNGCQKYSA-N 1 2 419.438 -0.939 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccco2)c(=O)n1 ZINC001177626397 1071265195 /nfs/dbraw/zinc/26/51/95/1071265195.db2.gz PLKBKQBVDYDDIV-IQNGCQKYSA-N 1 2 419.438 -0.939 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@H]2CCC[N@H+]2Cc2ccco2)c(=O)n1 ZINC001177626404 1071265001 /nfs/dbraw/zinc/26/50/01/1071265001.db2.gz PLKBKQBVDYDDIV-PBZZTAOPSA-N 1 2 419.438 -0.939 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@H]2CCC[N@@H+]2Cc2ccco2)c(=O)n1 ZINC001177626404 1071264990 /nfs/dbraw/zinc/26/49/90/1071264990.db2.gz PLKBKQBVDYDDIV-PBZZTAOPSA-N 1 2 419.438 -0.939 20 0 HBADLO COc1ccc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001177884390 1071273674 /nfs/dbraw/zinc/27/36/74/1071273674.db2.gz FLZWBAVAWWWPNJ-GJZGRUSLSA-N 1 2 400.439 -0.440 20 0 HBADLO COc1ccc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001177884390 1071273666 /nfs/dbraw/zinc/27/36/66/1071273666.db2.gz FLZWBAVAWWWPNJ-GJZGRUSLSA-N 1 2 400.439 -0.440 20 0 HBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001177890392 1071274174 /nfs/dbraw/zinc/27/41/74/1071274174.db2.gz QGJJVRKMXLUZFW-AWEZNQCLSA-N 1 2 416.486 -0.181 20 0 HBADLO CC(C)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001177890392 1071274163 /nfs/dbraw/zinc/27/41/63/1071274163.db2.gz QGJJVRKMXLUZFW-AWEZNQCLSA-N 1 2 416.486 -0.181 20 0 HBADLO CC(C)CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001177890395 1071274281 /nfs/dbraw/zinc/27/42/81/1071274281.db2.gz QGJJVRKMXLUZFW-CQSZACIVSA-N 1 2 416.486 -0.181 20 0 HBADLO CC(C)CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O ZINC001177890395 1071274273 /nfs/dbraw/zinc/27/42/73/1071274273.db2.gz QGJJVRKMXLUZFW-CQSZACIVSA-N 1 2 416.486 -0.181 20 0 HBADLO CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1cccn1CC[NH+]1CCOCC1 ZINC001177890812 1071274297 /nfs/dbraw/zinc/27/42/97/1071274297.db2.gz XLRDMIYJXSXYCK-UHFFFAOYSA-N 1 2 401.471 -0.230 20 0 HBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)n1cc[nH+]c1)C(=O)NCC(N)=O ZINC001177922627 1071275676 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COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179217413 1071312654 /nfs/dbraw/zinc/31/26/54/1071312654.db2.gz PXETWIFSJYIYMG-OCCSQVGLSA-N 1 2 410.471 -0.572 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179217413 1071312637 /nfs/dbraw/zinc/31/26/37/1071312637.db2.gz PXETWIFSJYIYMG-OCCSQVGLSA-N 1 2 410.471 -0.572 20 0 HBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179217414 1071313424 /nfs/dbraw/zinc/31/34/24/1071313424.db2.gz PXETWIFSJYIYMG-TZMCWYRMSA-N 1 2 410.471 -0.572 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179217414 1071313411 /nfs/dbraw/zinc/31/34/11/1071313411.db2.gz PXETWIFSJYIYMG-TZMCWYRMSA-N 1 2 410.471 -0.572 20 0 HBADLO CC1(C)C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC001179547563 1071323146 /nfs/dbraw/zinc/32/31/46/1071323146.db2.gz PZOUIHLSNDDQIN-CABCVRRESA-N 1 2 401.529 -0.361 20 0 HBADLO CC1(C)C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC001179547566 1071323484 /nfs/dbraw/zinc/32/34/84/1071323484.db2.gz PZOUIHLSNDDQIN-GJZGRUSLSA-N 1 2 401.529 -0.361 20 0 HBADLO CC1(C)C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC001179547567 1071323230 /nfs/dbraw/zinc/32/32/30/1071323230.db2.gz PZOUIHLSNDDQIN-HUUCEWRRSA-N 1 2 401.529 -0.361 20 0 HBADLO CC1(C)C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCS1(=O)=O ZINC001179547569 1071323123 /nfs/dbraw/zinc/32/31/23/1071323123.db2.gz PZOUIHLSNDDQIN-LSDHHAIUSA-N 1 2 401.529 -0.361 20 0 HBADLO NS(=O)(=O)c1ccc(C[NH2+]CC(=O)NCC(=O)NCc2ccccc2)c(F)c1 ZINC001179566613 1071322798 /nfs/dbraw/zinc/32/27/98/1071322798.db2.gz YSGQKRDRDVMBBF-UHFFFAOYSA-N 1 2 408.455 -0.005 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccc(CO)cc1 ZINC001179665028 1071325326 /nfs/dbraw/zinc/32/53/26/1071325326.db2.gz WEIJJBXKKZFKGE-IRXDYDNUSA-N 1 2 415.450 -0.515 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccc(CO)cc1 ZINC001179665028 1071325309 /nfs/dbraw/zinc/32/53/09/1071325309.db2.gz WEIJJBXKKZFKGE-IRXDYDNUSA-N 1 2 415.450 -0.515 20 0 HBADLO C[C@](O)(CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(F)(F)F ZINC001179817486 1071326946 /nfs/dbraw/zinc/32/69/46/1071326946.db2.gz GQZVYWNQMIAVLB-PGUXBMHVSA-N 1 2 405.377 -0.383 20 0 HBADLO C[C@](O)(CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)C(F)(F)F ZINC001179817486 1071326931 /nfs/dbraw/zinc/32/69/31/1071326931.db2.gz GQZVYWNQMIAVLB-PGUXBMHVSA-N 1 2 405.377 -0.383 20 0 HBADLO C[C@@](O)(CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(F)(F)F ZINC001179817492 1071327023 /nfs/dbraw/zinc/32/70/23/1071327023.db2.gz GQZVYWNQMIAVLB-ZIBATOQPSA-N 1 2 405.377 -0.383 20 0 HBADLO C[C@@](O)(CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)C(F)(F)F ZINC001179817492 1071327008 /nfs/dbraw/zinc/32/70/08/1071327008.db2.gz GQZVYWNQMIAVLB-ZIBATOQPSA-N 1 2 405.377 -0.383 20 0 HBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001179960003 1071328812 /nfs/dbraw/zinc/32/88/12/1071328812.db2.gz MEAJBCJFAXMOBP-HOTGVXAUSA-N 1 2 419.482 -0.141 20 0 HBADLO COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001179960003 1071328797 /nfs/dbraw/zinc/32/87/97/1071328797.db2.gz MEAJBCJFAXMOBP-HOTGVXAUSA-N 1 2 419.482 -0.141 20 0 HBADLO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC001179960004 1071328980 /nfs/dbraw/zinc/32/89/80/1071328980.db2.gz MEAJBCJFAXMOBP-JKSUJKDBSA-N 1 2 419.482 -0.141 20 0 HBADLO COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC001179960004 1071328964 /nfs/dbraw/zinc/32/89/64/1071328964.db2.gz MEAJBCJFAXMOBP-JKSUJKDBSA-N 1 2 419.482 -0.141 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1nnc2ccccc21 ZINC001179998499 1071328500 /nfs/dbraw/zinc/32/85/00/1071328500.db2.gz QSXHDUZALSJLMK-RDJZCZTQSA-N 1 2 424.465 -0.252 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1nnc2ccccc21 ZINC001179998499 1071328484 /nfs/dbraw/zinc/32/84/84/1071328484.db2.gz QSXHDUZALSJLMK-RDJZCZTQSA-N 1 2 424.465 -0.252 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)Cc1nc(N)n[nH]1)C2 ZINC001180246684 1071333123 /nfs/dbraw/zinc/33/31/23/1071333123.db2.gz PNWWBLZZHWAZAZ-CYBMUJFWSA-N 1 2 404.475 -0.862 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)Cc1nc(N)n[nH]1)C2 ZINC001180246687 1071333055 /nfs/dbraw/zinc/33/30/55/1071333055.db2.gz PNWWBLZZHWAZAZ-ZDUSSCGKSA-N 1 2 404.475 -0.862 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NNC(=O)CC1)C2 ZINC001180255499 1071333701 /nfs/dbraw/zinc/33/37/01/1071333701.db2.gz VLCOEKNOMQEISI-AWEZNQCLSA-N 1 2 404.471 -0.539 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NNC(=O)CC1)C2 ZINC001180255500 1071333731 /nfs/dbraw/zinc/33/37/31/1071333731.db2.gz VLCOEKNOMQEISI-CQSZACIVSA-N 1 2 404.471 -0.539 20 0 HBADLO O=C(CCC(=O)N1CCCn2nnc(Cn3cc[nH+]c3)c2C1)N1CCNC(=O)CC1 ZINC001180264650 1071334710 /nfs/dbraw/zinc/33/47/10/1071334710.db2.gz TYQCWIXYNKCUQU-UHFFFAOYSA-N 1 2 414.470 -0.616 20 0 HBADLO O=C(CCC(=O)N1CCNC(=O)CC1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001180264782 1071334868 /nfs/dbraw/zinc/33/48/68/1071334868.db2.gz WAEFZYQBDJMVBE-UHFFFAOYSA-N 1 2 400.439 -0.067 20 0 HBADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)CCC(=O)N1CCNC(=O)CC1)C2 ZINC001180268250 1071335285 /nfs/dbraw/zinc/33/52/85/1071335285.db2.gz ZOJQPTPYGPSKPK-UHFFFAOYSA-N 1 2 419.530 -0.021 20 0 HBADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)CCC(=O)N1CCNC(=O)CC1)C2 ZINC001180268250 1071335271 /nfs/dbraw/zinc/33/52/71/1071335271.db2.gz ZOJQPTPYGPSKPK-UHFFFAOYSA-N 1 2 419.530 -0.021 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1CCc2ccccc21 ZINC001180291130 1071336936 /nfs/dbraw/zinc/33/69/36/1071336936.db2.gz LGIWFPZMYOKVFO-WMZOPIPTSA-N 1 2 410.478 -0.024 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1CCc2ccccc21 ZINC001180291130 1071336922 /nfs/dbraw/zinc/33/69/22/1071336922.db2.gz LGIWFPZMYOKVFO-WMZOPIPTSA-N 1 2 410.478 -0.024 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cn1nc2ccccc2n1 ZINC001180302980 1071336428 /nfs/dbraw/zinc/33/64/28/1071336428.db2.gz YPGSCFTXUSNHCJ-HOTGVXAUSA-N 1 2 410.438 -0.642 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cn1nc2ccccc2n1 ZINC001180302980 1071336409 /nfs/dbraw/zinc/33/64/09/1071336409.db2.gz YPGSCFTXUSNHCJ-HOTGVXAUSA-N 1 2 410.438 -0.642 20 0 HBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)C1 ZINC001180356095 1071337906 /nfs/dbraw/zinc/33/79/06/1071337906.db2.gz PSGJTTRVRLELJM-CABCVRRESA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)C1 ZINC001180356095 1071337899 /nfs/dbraw/zinc/33/78/99/1071337899.db2.gz PSGJTTRVRLELJM-CABCVRRESA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)C1 ZINC001180356096 1071337864 /nfs/dbraw/zinc/33/78/64/1071337864.db2.gz PSGJTTRVRLELJM-GJZGRUSLSA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)C1 ZINC001180356096 1071337854 /nfs/dbraw/zinc/33/78/54/1071337854.db2.gz PSGJTTRVRLELJM-GJZGRUSLSA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)C1 ZINC001180356097 1071338100 /nfs/dbraw/zinc/33/81/00/1071338100.db2.gz PSGJTTRVRLELJM-HUUCEWRRSA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)C1 ZINC001180356097 1071338090 /nfs/dbraw/zinc/33/80/90/1071338090.db2.gz PSGJTTRVRLELJM-HUUCEWRRSA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)C1 ZINC001180356098 1071337996 /nfs/dbraw/zinc/33/79/96/1071337996.db2.gz PSGJTTRVRLELJM-LSDHHAIUSA-N 1 2 406.487 -0.339 20 0 HBADLO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)C1 ZINC001180356098 1071337986 /nfs/dbraw/zinc/33/79/86/1071337986.db2.gz PSGJTTRVRLELJM-LSDHHAIUSA-N 1 2 406.487 -0.339 20 0 HBADLO CC[NH+](CC)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001180387361 1071341269 /nfs/dbraw/zinc/34/12/69/1071341269.db2.gz DVVAUCYGMNYAEU-ARFHVFGLSA-N 1 2 401.529 -0.551 20 0 HBADLO CC[NH+](CC)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001180387368 1071341333 /nfs/dbraw/zinc/34/13/33/1071341333.db2.gz DVVAUCYGMNYAEU-BZUAXINKSA-N 1 2 401.529 -0.551 20 0 HBADLO CC[NH+](CC)CC(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001180387826 1071341547 /nfs/dbraw/zinc/34/15/47/1071341547.db2.gz JKCRZUNHWQXHOE-JKSUJKDBSA-N 1 2 423.539 -0.122 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NN(C)C(=O)CC1)C2 ZINC001180442348 1071341855 /nfs/dbraw/zinc/34/18/55/1071341855.db2.gz HKEWACIJCDCXBG-HNNXBMFYSA-N 1 2 418.498 -0.197 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1=NN(C)C(=O)CC1)C2 ZINC001180442351 1071341828 /nfs/dbraw/zinc/34/18/28/1071341828.db2.gz HKEWACIJCDCXBG-OAHLLOKOSA-N 1 2 418.498 -0.197 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=NN(C)C(=O)CC1)CC2 ZINC001180442618 1071341929 /nfs/dbraw/zinc/34/19/29/1071341929.db2.gz LILDFMJPOQRSFM-UHFFFAOYSA-N 1 2 401.471 -0.699 20 0 HBADLO O=C(CCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1)N1CCOCC1 ZINC001180492511 1071343760 /nfs/dbraw/zinc/34/37/60/1071343760.db2.gz BFDDBCGMCMCNDT-UHFFFAOYSA-N 1 2 414.466 -0.141 20 0 HBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCOCC1 ZINC001180493867 1071344384 /nfs/dbraw/zinc/34/43/84/1071344384.db2.gz FMGJQTSIQARBFQ-JXFKEZNVSA-N 1 2 411.499 -0.120 20 0 HBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCOCC1 ZINC001180493870 1071344567 /nfs/dbraw/zinc/34/45/67/1071344567.db2.gz FMGJQTSIQARBFQ-OXJNMPFZSA-N 1 2 411.499 -0.120 20 0 HBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCOCC1 ZINC001180493872 1071344237 /nfs/dbraw/zinc/34/42/37/1071344237.db2.gz FMGJQTSIQARBFQ-OXQOHEQNSA-N 1 2 411.499 -0.120 20 0 HBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CCC(=O)N1CCOCC1 ZINC001180493873 1071344414 /nfs/dbraw/zinc/34/44/14/1071344414.db2.gz FMGJQTSIQARBFQ-UZLBHIALSA-N 1 2 411.499 -0.120 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1CSCC(=O)N1)C2 ZINC001180551856 1071346848 /nfs/dbraw/zinc/34/68/48/1071346848.db2.gz XHPSFTRVRLFPMY-GDBMZVCRSA-N 1 2 423.539 -0.574 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@H]1CSCC(=O)N1)C2 ZINC001180551857 1071346732 /nfs/dbraw/zinc/34/67/32/1071346732.db2.gz XHPSFTRVRLFPMY-GOEBONIOSA-N 1 2 423.539 -0.574 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CSCC(=O)N1)C2 ZINC001180551858 1071346807 /nfs/dbraw/zinc/34/68/07/1071346807.db2.gz XHPSFTRVRLFPMY-HOCLYGCPSA-N 1 2 423.539 -0.574 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CSCC(=O)N1)C2 ZINC001180551859 1071346691 /nfs/dbraw/zinc/34/66/91/1071346691.db2.gz XHPSFTRVRLFPMY-ZBFHGGJFSA-N 1 2 423.539 -0.574 20 0 HBADLO Cc1nc(N[C@@H]2COCC[C@@H]2NC(=O)CNS(=O)(=O)c2cccnc2)cc[nH+]1 ZINC001180554113 1071347392 /nfs/dbraw/zinc/34/73/92/1071347392.db2.gz DXJNKCZPCPGFGT-LSDHHAIUSA-N 1 2 406.468 -0.156 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001180593804 1071349137 /nfs/dbraw/zinc/34/91/37/1071349137.db2.gz LMAXVSWKNYBSEA-MSOLQXFVSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001180593804 1071349130 /nfs/dbraw/zinc/34/91/30/1071349130.db2.gz LMAXVSWKNYBSEA-MSOLQXFVSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001180593815 1071349193 /nfs/dbraw/zinc/34/91/93/1071349193.db2.gz LMAXVSWKNYBSEA-QZTJIDSGSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001180593815 1071349189 /nfs/dbraw/zinc/34/91/89/1071349189.db2.gz LMAXVSWKNYBSEA-QZTJIDSGSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001180593818 1071349228 /nfs/dbraw/zinc/34/92/28/1071349228.db2.gz LMAXVSWKNYBSEA-ROUUACIJSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001180593818 1071349220 /nfs/dbraw/zinc/34/92/20/1071349220.db2.gz LMAXVSWKNYBSEA-ROUUACIJSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001180593821 1071349076 /nfs/dbraw/zinc/34/90/76/1071349076.db2.gz LMAXVSWKNYBSEA-ZWKOTPCHSA-N 1 2 408.524 -0.386 20 0 HBADLO O=C(CN1CCS(=O)(=O)CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001180593821 1071349069 /nfs/dbraw/zinc/34/90/69/1071349069.db2.gz LMAXVSWKNYBSEA-ZWKOTPCHSA-N 1 2 408.524 -0.386 20 0 HBADLO CO[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001180594195 1071349823 /nfs/dbraw/zinc/34/98/23/1071349823.db2.gz NBERTDSGPAUJTJ-IPMKNSEASA-N 1 2 422.551 -0.140 20 0 HBADLO CO[C@@H]1CCN(C(=O)CN2CCS(=O)(=O)CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001180594195 1071349818 /nfs/dbraw/zinc/34/98/18/1071349818.db2.gz NBERTDSGPAUJTJ-IPMKNSEASA-N 1 2 422.551 -0.140 20 0 HBADLO COC(=O)[C@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180598982 1071350785 /nfs/dbraw/zinc/35/07/85/1071350785.db2.gz WHDJPTPRSDDZOI-IBGZPJMESA-N 1 2 409.508 -0.349 20 0 HBADLO COC(=O)[C@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001180598982 1071350778 /nfs/dbraw/zinc/35/07/78/1071350778.db2.gz WHDJPTPRSDDZOI-IBGZPJMESA-N 1 2 409.508 -0.349 20 0 HBADLO COC(=O)[C@@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001180598983 1071351161 /nfs/dbraw/zinc/35/11/61/1071351161.db2.gz WHDJPTPRSDDZOI-LJQANCHMSA-N 1 2 409.508 -0.349 20 0 HBADLO COC(=O)[C@@]1(NC(=O)CN2CCS(=O)(=O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC001180598983 1071351152 /nfs/dbraw/zinc/35/11/52/1071351152.db2.gz WHDJPTPRSDDZOI-LJQANCHMSA-N 1 2 409.508 -0.349 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCN(C)C(=O)C1)CC2 ZINC001180634334 1071352895 /nfs/dbraw/zinc/35/28/95/1071352895.db2.gz XHHKKJFQOZERLI-AWEZNQCLSA-N 1 2 402.499 -0.439 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCN(C)C(=O)C1)CC2 ZINC001180634349 1071352850 /nfs/dbraw/zinc/35/28/50/1071352850.db2.gz XHHKKJFQOZERLI-CQSZACIVSA-N 1 2 402.499 -0.439 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COCC(F)(F)C(F)F ZINC001180644408 1071353437 /nfs/dbraw/zinc/35/34/37/1071353437.db2.gz ASRMYYCFPYXVIS-QWRGUYRKSA-N 1 2 423.367 -0.170 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COCC(F)(F)C(F)F ZINC001180644408 1071353428 /nfs/dbraw/zinc/35/34/28/1071353428.db2.gz ASRMYYCFPYXVIS-QWRGUYRKSA-N 1 2 423.367 -0.170 20 0 HBADLO CC(=O)N1CCC(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180658151 1071353690 /nfs/dbraw/zinc/35/36/90/1071353690.db2.gz HXGJVZYDXGQQPD-IRXDYDNUSA-N 1 2 418.498 -0.438 20 0 HBADLO CC(=O)N1CCC(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180658151 1071353679 /nfs/dbraw/zinc/35/36/79/1071353679.db2.gz HXGJVZYDXGQQPD-IRXDYDNUSA-N 1 2 418.498 -0.438 20 0 HBADLO CC(=O)N1CCC[C@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001180683568 1071354450 /nfs/dbraw/zinc/35/44/50/1071354450.db2.gz VNXPIARWFMKSQK-INIZCTEOSA-N 1 2 416.526 -0.049 20 0 HBADLO CC(=O)N1CCC[C@@H](C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1 ZINC001180683569 1071354209 /nfs/dbraw/zinc/35/42/09/1071354209.db2.gz VNXPIARWFMKSQK-MRXNPFEDSA-N 1 2 416.526 -0.049 20 0 HBADLO CC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001180686584 1071354263 /nfs/dbraw/zinc/35/42/63/1071354263.db2.gz VHSYORKBBBNXAB-BPUTZDHNSA-N 1 2 404.471 -0.828 20 0 HBADLO CC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001180686584 1071354253 /nfs/dbraw/zinc/35/42/53/1071354253.db2.gz VHSYORKBBBNXAB-BPUTZDHNSA-N 1 2 404.471 -0.828 20 0 HBADLO CC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001180686589 1071354119 /nfs/dbraw/zinc/35/41/19/1071354119.db2.gz VHSYORKBBBNXAB-KBMXLJTQSA-N 1 2 404.471 -0.828 20 0 HBADLO CC(=O)N1CCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001180686589 1071354109 /nfs/dbraw/zinc/35/41/09/1071354109.db2.gz VHSYORKBBBNXAB-KBMXLJTQSA-N 1 2 404.471 -0.828 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCNC(=O)C1CC1)CC2 ZINC001180848878 1071360170 /nfs/dbraw/zinc/36/01/70/1071360170.db2.gz BRJOSTPRBUXSHK-UHFFFAOYSA-N 1 2 402.499 -0.391 20 0 HBADLO C[C@@H](C(=O)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1)[NH+](C)C ZINC001180861360 1071361184 /nfs/dbraw/zinc/36/11/84/1071361184.db2.gz WTPGNAWJLPKJJJ-AEGPPILISA-N 1 2 409.512 -0.514 20 0 HBADLO COCCN1C[C@@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1=O ZINC001180890264 1071359511 /nfs/dbraw/zinc/35/95/11/1071359511.db2.gz DEJNOXCTCCLMPD-HNNXBMFYSA-N 1 2 414.466 -0.285 20 0 HBADLO COCCN1C[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)CC1=O ZINC001180890282 1071359748 /nfs/dbraw/zinc/35/97/48/1071359748.db2.gz DEJNOXCTCCLMPD-OAHLLOKOSA-N 1 2 414.466 -0.285 20 0 HBADLO COCCN1C[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)CC1=O ZINC001180894020 1071362167 /nfs/dbraw/zinc/36/21/67/1071362167.db2.gz SEHOKDLMTSRMBX-GQIGUUNPSA-N 1 2 411.499 -0.264 20 0 HBADLO COCCN1C[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)CC1=O ZINC001180894021 1071362831 /nfs/dbraw/zinc/36/28/31/1071362831.db2.gz SEHOKDLMTSRMBX-GUXCAODWSA-N 1 2 411.499 -0.264 20 0 HBADLO COCCN1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)CC1=O ZINC001180894022 1071362964 /nfs/dbraw/zinc/36/29/64/1071362964.db2.gz SEHOKDLMTSRMBX-JXXFODFXSA-N 1 2 411.499 -0.264 20 0 HBADLO COCCN1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)CC1=O ZINC001180894023 1071362793 /nfs/dbraw/zinc/36/27/93/1071362793.db2.gz SEHOKDLMTSRMBX-QINHECLXSA-N 1 2 411.499 -0.264 20 0 HBADLO CCC[C@@H](NC(C)=O)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001180975462 1071363476 /nfs/dbraw/zinc/36/34/76/1071363476.db2.gz DBQUYVYLRXLKRC-MRXNPFEDSA-N 1 2 404.515 -0.003 20 0 HBADLO CN1C(=O)C[C@@H](C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)NC1=O ZINC001181131064 1071367720 /nfs/dbraw/zinc/36/77/20/1071367720.db2.gz DOSQQTXKTAXXDW-INIZCTEOSA-N 1 2 413.478 -0.080 20 0 HBADLO CN1C(=O)C[C@@H](C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)NC1=O ZINC001181131064 1071367702 /nfs/dbraw/zinc/36/77/02/1071367702.db2.gz DOSQQTXKTAXXDW-INIZCTEOSA-N 1 2 413.478 -0.080 20 0 HBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)COCCOCCNC(=O)OC(C)(C)C ZINC001181146554 1071369208 /nfs/dbraw/zinc/36/92/08/1071369208.db2.gz MBLZRXBWXUTBPC-AWEZNQCLSA-N 1 2 403.476 -0.140 20 0 HBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)COCCOCCNC(=O)OC(C)(C)C ZINC001181146554 1071369189 /nfs/dbraw/zinc/36/91/89/1071369189.db2.gz MBLZRXBWXUTBPC-AWEZNQCLSA-N 1 2 403.476 -0.140 20 0 HBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)COCCOCCNC(=O)OC(C)(C)C ZINC001181146555 1071369579 /nfs/dbraw/zinc/36/95/79/1071369579.db2.gz MBLZRXBWXUTBPC-CQSZACIVSA-N 1 2 403.476 -0.140 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)COCCOCCNC(=O)OC(C)(C)C ZINC001181146555 1071369557 /nfs/dbraw/zinc/36/95/57/1071369557.db2.gz MBLZRXBWXUTBPC-CQSZACIVSA-N 1 2 403.476 -0.140 20 0 HBADLO Nc1cc(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)cc[nH+]1 ZINC001181249054 1071370689 /nfs/dbraw/zinc/37/06/89/1071370689.db2.gz SQLWEHZTQYKWOB-ARFHVFGLSA-N 1 2 422.507 -0.673 20 0 HBADLO Nc1cc(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)cc[nH+]1 ZINC001181249055 1071370841 /nfs/dbraw/zinc/37/08/41/1071370841.db2.gz SQLWEHZTQYKWOB-BZUAXINKSA-N 1 2 422.507 -0.673 20 0 HBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cc[nH+]c(N)c1)C(=O)NCC(N)=O ZINC001181257087 1071372023 /nfs/dbraw/zinc/37/20/23/1071372023.db2.gz QTABCOZXGMCYDH-GJZGRUSLSA-N 1 2 418.498 -0.670 20 0 HBADLO Nc1cc(CC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)cc[nH+]1 ZINC001181263459 1071371471 /nfs/dbraw/zinc/37/14/71/1071371471.db2.gz NSJADGYOBQJJBV-UHFFFAOYSA-N 1 2 419.872 -0.207 20 0 HBADLO C[C@@H](C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1)N1CCCC1=O ZINC001181296080 1071371895 /nfs/dbraw/zinc/37/18/95/1071371895.db2.gz YPWOXISRONDKLH-AWEZNQCLSA-N 1 2 402.499 -0.297 20 0 HBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001181402073 1071374688 /nfs/dbraw/zinc/37/46/88/1071374688.db2.gz MOBYWFHXLQSECD-AVGNSLFASA-N 1 2 400.476 -0.280 20 0 HBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001181402073 1071374679 /nfs/dbraw/zinc/37/46/79/1071374679.db2.gz MOBYWFHXLQSECD-AVGNSLFASA-N 1 2 400.476 -0.280 20 0 HBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001181402074 1071374631 /nfs/dbraw/zinc/37/46/31/1071374631.db2.gz MOBYWFHXLQSECD-RWMBFGLXSA-N 1 2 400.476 -0.280 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC001181402074 1071374616 /nfs/dbraw/zinc/37/46/16/1071374616.db2.gz MOBYWFHXLQSECD-RWMBFGLXSA-N 1 2 400.476 -0.280 20 0 HBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181438237 1071375129 /nfs/dbraw/zinc/37/51/29/1071375129.db2.gz KLZYHWFEQHNUIC-QWHCGFSZSA-N 1 2 400.476 -0.149 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181438237 1071375112 /nfs/dbraw/zinc/37/51/12/1071375112.db2.gz KLZYHWFEQHNUIC-QWHCGFSZSA-N 1 2 400.476 -0.149 20 0 HBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181438239 1071375163 /nfs/dbraw/zinc/37/51/63/1071375163.db2.gz KLZYHWFEQHNUIC-STQMWFEESA-N 1 2 400.476 -0.149 20 0 HBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@H](CCC(N)=O)NC(=O)OC(C)(C)C ZINC001181438239 1071375151 /nfs/dbraw/zinc/37/51/51/1071375151.db2.gz KLZYHWFEQHNUIC-STQMWFEESA-N 1 2 400.476 -0.149 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1CC3(C1)OCCO3)CC2 ZINC001181507287 1071376031 /nfs/dbraw/zinc/37/60/31/1071376031.db2.gz ITPLCQZYAWKJLR-UHFFFAOYSA-N 1 2 403.483 -0.155 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1(c2ccccc2)COC1 ZINC001181560563 1071377490 /nfs/dbraw/zinc/37/74/90/1071377490.db2.gz GBWZGZOYDHGSLP-IRXDYDNUSA-N 1 2 411.462 -0.119 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1(c2ccccc2)COC1 ZINC001181560563 1071377476 /nfs/dbraw/zinc/37/74/76/1071377476.db2.gz GBWZGZOYDHGSLP-IRXDYDNUSA-N 1 2 411.462 -0.119 20 0 HBADLO C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1cnccn1 ZINC001181579541 1071378814 /nfs/dbraw/zinc/37/88/14/1071378814.db2.gz IFQNKMOFPMOMRW-DLBZAZTESA-N 1 2 402.499 -0.306 20 0 HBADLO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1cnccn1 ZINC001181579542 1071378736 /nfs/dbraw/zinc/37/87/36/1071378736.db2.gz IFQNKMOFPMOMRW-IAGOWNOFSA-N 1 2 402.499 -0.306 20 0 HBADLO C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1cnccn1 ZINC001181579543 1071378569 /nfs/dbraw/zinc/37/85/69/1071378569.db2.gz IFQNKMOFPMOMRW-IRXDYDNUSA-N 1 2 402.499 -0.306 20 0 HBADLO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCN1c1cnccn1 ZINC001181579544 1071378588 /nfs/dbraw/zinc/37/85/88/1071378588.db2.gz IFQNKMOFPMOMRW-SJORKVTESA-N 1 2 402.499 -0.306 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC001181902618 1071384506 /nfs/dbraw/zinc/38/45/06/1071384506.db2.gz WQZLQYILLIYHGY-ZQIUZPCESA-N 1 2 413.434 -0.247 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC001181902618 1071384494 /nfs/dbraw/zinc/38/44/94/1071384494.db2.gz WQZLQYILLIYHGY-ZQIUZPCESA-N 1 2 413.434 -0.247 20 0 HBADLO CC(=O)N[C@H](CCO)C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001182120743 1071389263 /nfs/dbraw/zinc/38/92/63/1071389263.db2.gz PPZHXVLJYSEJST-DLBZAZTESA-N 1 2 423.514 -0.918 20 0 HBADLO CC(=O)N[C@H](CCO)C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001182120747 1071389496 /nfs/dbraw/zinc/38/94/96/1071389496.db2.gz PPZHXVLJYSEJST-IAGOWNOFSA-N 1 2 423.514 -0.918 20 0 HBADLO CC(=O)N[C@@H](CCO)C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001182120748 1071389141 /nfs/dbraw/zinc/38/91/41/1071389141.db2.gz PPZHXVLJYSEJST-IRXDYDNUSA-N 1 2 423.514 -0.918 20 0 HBADLO CC(=O)N[C@@H](CCO)C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001182120750 1071389313 /nfs/dbraw/zinc/38/93/13/1071389313.db2.gz PPZHXVLJYSEJST-SJORKVTESA-N 1 2 423.514 -0.918 20 0 HBADLO CC(=O)N[C@H](CCO)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001182122516 1071389859 /nfs/dbraw/zinc/38/98/59/1071389859.db2.gz WBAIMWONFVXZTB-GOSISDBHSA-N 1 2 402.495 -0.133 20 0 HBADLO CC(=O)N[C@H](CCO)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001182122516 1071389847 /nfs/dbraw/zinc/38/98/47/1071389847.db2.gz WBAIMWONFVXZTB-GOSISDBHSA-N 1 2 402.495 -0.133 20 0 HBADLO CC(=O)N[C@@H](CCO)C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001182122517 1071390016 /nfs/dbraw/zinc/39/00/16/1071390016.db2.gz WBAIMWONFVXZTB-SFHVURJKSA-N 1 2 402.495 -0.133 20 0 HBADLO CC(=O)N[C@@H](CCO)C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001182122517 1071390007 /nfs/dbraw/zinc/39/00/07/1071390007.db2.gz WBAIMWONFVXZTB-SFHVURJKSA-N 1 2 402.495 -0.133 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CC1CC(=O)NC(=O)C1)CC2 ZINC001182162038 1071394337 /nfs/dbraw/zinc/39/43/37/1071394337.db2.gz XGZBSNXEBSLUMK-UHFFFAOYSA-N 1 2 416.482 -0.865 20 0 HBADLO CCCCOCCOCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182213609 1071398010 /nfs/dbraw/zinc/39/80/10/1071398010.db2.gz HMCPZDJVOGKUHC-HOTGVXAUSA-N 1 2 409.487 -0.253 20 0 HBADLO CCCCOCCOCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001182213609 1071397998 /nfs/dbraw/zinc/39/79/98/1071397998.db2.gz HMCPZDJVOGKUHC-HOTGVXAUSA-N 1 2 409.487 -0.253 20 0 HBADLO CC[NH+](CC)[C@H](C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1Cl ZINC001182223019 1071398031 /nfs/dbraw/zinc/39/80/31/1071398031.db2.gz INEFBLBOQIQAOY-CQSHOCRRSA-N 1 2 402.875 -0.361 20 0 HBADLO CC[NH+](CC)[C@@H](C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccccc1Cl ZINC001182223020 1071397750 /nfs/dbraw/zinc/39/77/50/1071397750.db2.gz INEFBLBOQIQAOY-KKHNULJSSA-N 1 2 402.875 -0.361 20 0 HBADLO CC[NH+](CC)[C@@H](C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1Cl ZINC001182223021 1071398570 /nfs/dbraw/zinc/39/85/70/1071398570.db2.gz INEFBLBOQIQAOY-KRIAZEKOSA-N 1 2 402.875 -0.361 20 0 HBADLO CC[NH+](CC)[C@H](C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccccc1Cl ZINC001182223022 1071398524 /nfs/dbraw/zinc/39/85/24/1071398524.db2.gz INEFBLBOQIQAOY-VQBFVVLDSA-N 1 2 402.875 -0.361 20 0 HBADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001182296832 1071400718 /nfs/dbraw/zinc/40/07/18/1071400718.db2.gz JGTBNPQDTADTQE-QZCUMHFISA-N 1 2 401.504 -0.464 20 0 HBADLO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001182296832 1071400713 /nfs/dbraw/zinc/40/07/13/1071400713.db2.gz JGTBNPQDTADTQE-QZCUMHFISA-N 1 2 401.504 -0.464 20 0 HBADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001182296835 1071400601 /nfs/dbraw/zinc/40/06/01/1071400601.db2.gz JGTBNPQDTADTQE-ZJPZJRRFSA-N 1 2 401.504 -0.464 20 0 HBADLO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C1 ZINC001182296835 1071400598 /nfs/dbraw/zinc/40/05/98/1071400598.db2.gz JGTBNPQDTADTQE-ZJPZJRRFSA-N 1 2 401.504 -0.464 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1NC(=O)c2ccccc21 ZINC001182431370 1071407136 /nfs/dbraw/zinc/40/71/36/1071407136.db2.gz ROBXQWXGKUCXIM-HRCADAONSA-N 1 2 410.434 -0.602 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1NC(=O)c2ccccc21 ZINC001182431370 1071407132 /nfs/dbraw/zinc/40/71/32/1071407132.db2.gz ROBXQWXGKUCXIM-HRCADAONSA-N 1 2 410.434 -0.602 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1NC(=O)c2ccccc21 ZINC001182431371 1071407226 /nfs/dbraw/zinc/40/72/26/1071407226.db2.gz ROBXQWXGKUCXIM-JYJNAYRXSA-N 1 2 410.434 -0.602 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1NC(=O)c2ccccc21 ZINC001182431371 1071407224 /nfs/dbraw/zinc/40/72/24/1071407224.db2.gz ROBXQWXGKUCXIM-JYJNAYRXSA-N 1 2 410.434 -0.602 20 0 HBADLO COCC1(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CCOCC1 ZINC001182436660 1071408793 /nfs/dbraw/zinc/40/87/93/1071408793.db2.gz PGWITOWUVGIVPS-GJZGRUSLSA-N 1 2 407.471 -0.644 20 0 HBADLO COCC1(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CCOCC1 ZINC001182436660 1071408788 /nfs/dbraw/zinc/40/87/88/1071408788.db2.gz PGWITOWUVGIVPS-GJZGRUSLSA-N 1 2 407.471 -0.644 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182461735 1071415853 /nfs/dbraw/zinc/41/58/53/1071415853.db2.gz NTFKQFSHTGAAAW-BPUTZDHNSA-N 1 2 416.482 -0.828 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CC(=O)N(CC2CC2)C1 ZINC001182461735 1071415850 /nfs/dbraw/zinc/41/58/50/1071415850.db2.gz NTFKQFSHTGAAAW-BPUTZDHNSA-N 1 2 416.482 -0.828 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182461741 1071415825 /nfs/dbraw/zinc/41/58/25/1071415825.db2.gz NTFKQFSHTGAAAW-KBMXLJTQSA-N 1 2 416.482 -0.828 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001182461741 1071415821 /nfs/dbraw/zinc/41/58/21/1071415821.db2.gz NTFKQFSHTGAAAW-KBMXLJTQSA-N 1 2 416.482 -0.828 20 0 HBADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001182502730 1071421105 /nfs/dbraw/zinc/42/11/05/1071421105.db2.gz ONHILTGDIJNDDM-DOTOQJQBSA-N 1 2 406.464 -0.506 20 0 HBADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001182502741 1071421196 /nfs/dbraw/zinc/42/11/96/1071421196.db2.gz ONHILTGDIJNDDM-NVXWUHKLSA-N 1 2 406.464 -0.506 20 0 HBADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001182502742 1071421241 /nfs/dbraw/zinc/42/12/41/1071421241.db2.gz ONHILTGDIJNDDM-RDJZCZTQSA-N 1 2 406.464 -0.506 20 0 HBADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001182502743 1071421184 /nfs/dbraw/zinc/42/11/84/1071421184.db2.gz ONHILTGDIJNDDM-WBVHZDCISA-N 1 2 406.464 -0.506 20 0 HBADLO CS(=O)(=O)N(CC[NH3+])C(=O)COc1ccc(C[C@H]2SC(=O)NC2=O)cc1 ZINC001182541097 1071423576 /nfs/dbraw/zinc/42/35/76/1071423576.db2.gz DLFNWWNKHCVVJC-GFCCVEGCSA-N 1 2 401.466 -0.294 20 0 HBADLO CS(=O)(=O)N(CC[NH3+])C(=O)COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC001182541100 1071423474 /nfs/dbraw/zinc/42/34/74/1071423474.db2.gz DLFNWWNKHCVVJC-LBPRGKRZSA-N 1 2 401.466 -0.294 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)Cc1cn3cccnc3n1)CC2 ZINC001182729103 1071429226 /nfs/dbraw/zinc/42/92/26/1071429226.db2.gz BCPUYHYSWDZUHG-UHFFFAOYSA-N 1 2 422.493 -0.022 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1cn2cccnc2n1 ZINC001182762031 1071428327 /nfs/dbraw/zinc/42/83/27/1071428327.db2.gz NMTQTMAQBDMPBH-GJZGRUSLSA-N 1 2 410.438 -0.801 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1cn2cccnc2n1 ZINC001182762031 1071428323 /nfs/dbraw/zinc/42/83/23/1071428323.db2.gz NMTQTMAQBDMPBH-GJZGRUSLSA-N 1 2 410.438 -0.801 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001182813945 1071430793 /nfs/dbraw/zinc/43/07/93/1071430793.db2.gz SOGQDGYXHAYQFC-AWEZNQCLSA-N 1 2 412.512 -0.761 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)C1CS(=O)(=O)C1)C2 ZINC001182813951 1071430806 /nfs/dbraw/zinc/43/08/06/1071430806.db2.gz SOGQDGYXHAYQFC-CQSZACIVSA-N 1 2 412.512 -0.761 20 0 HBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182829877 1071432058 /nfs/dbraw/zinc/43/20/58/1071432058.db2.gz HIRKHFJJJDCYLV-LLVKDONJSA-N 1 2 419.442 -0.558 20 0 HBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182829877 1071432052 /nfs/dbraw/zinc/43/20/52/1071432052.db2.gz HIRKHFJJJDCYLV-LLVKDONJSA-N 1 2 419.442 -0.558 20 0 HBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182829878 1071432119 /nfs/dbraw/zinc/43/21/19/1071432119.db2.gz HIRKHFJJJDCYLV-NSHDSACASA-N 1 2 419.442 -0.558 20 0 HBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O ZINC001182829878 1071432112 /nfs/dbraw/zinc/43/21/12/1071432112.db2.gz HIRKHFJJJDCYLV-NSHDSACASA-N 1 2 419.442 -0.558 20 0 HBADLO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC001182833199 1071432632 /nfs/dbraw/zinc/43/26/32/1071432632.db2.gz GOUKLNSRCABZRV-LLVKDONJSA-N 1 2 402.415 -0.431 20 0 HBADLO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c(=O)[nH]1 ZINC001182833199 1071432626 /nfs/dbraw/zinc/43/26/26/1071432626.db2.gz GOUKLNSRCABZRV-LLVKDONJSA-N 1 2 402.415 -0.431 20 0 HBADLO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCC[N@H+]2CCOC[C@H]2C)c(=O)[nH]1 ZINC001182834095 1071433590 /nfs/dbraw/zinc/43/35/90/1071433590.db2.gz CCSUAACYSYPDKS-GFCCVEGCSA-N 1 2 405.459 -0.037 20 0 HBADLO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(=O)[nH]1 ZINC001182834095 1071433585 /nfs/dbraw/zinc/43/35/85/1071433585.db2.gz CCSUAACYSYPDKS-GFCCVEGCSA-N 1 2 405.459 -0.037 20 0 HBADLO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(=O)[nH]1 ZINC001182834144 1071433578 /nfs/dbraw/zinc/43/35/78/1071433578.db2.gz CCSUAACYSYPDKS-LBPRGKRZSA-N 1 2 405.459 -0.037 20 0 HBADLO CC(C)C(=O)Nc1nc2c(ncn2CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(=O)[nH]1 ZINC001182834144 1071433572 /nfs/dbraw/zinc/43/35/72/1071433572.db2.gz CCSUAACYSYPDKS-LBPRGKRZSA-N 1 2 405.459 -0.037 20 0 HBADLO CN(CC(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC001182878792 1071437194 /nfs/dbraw/zinc/43/71/94/1071437194.db2.gz ZXRFYEGFXFOAFQ-UHFFFAOYSA-N 1 2 408.524 -0.129 20 0 HBADLO CN(CC(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC001182878792 1071437191 /nfs/dbraw/zinc/43/71/91/1071437191.db2.gz ZXRFYEGFXFOAFQ-UHFFFAOYSA-N 1 2 408.524 -0.129 20 0 HBADLO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[NH+]2CC(NS(C)(=O)=O)C2)C1 ZINC001182942283 1071437843 /nfs/dbraw/zinc/43/78/43/1071437843.db2.gz TXGISJMROHRKJS-CYBMUJFWSA-N 1 2 404.533 -0.017 20 0 HBADLO CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C[NH+]2CC(NS(C)(=O)=O)C2)C1 ZINC001182942284 1071437774 /nfs/dbraw/zinc/43/77/74/1071437774.db2.gz TXGISJMROHRKJS-ZDUSSCGKSA-N 1 2 404.533 -0.017 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CNC(=O)c3ccc(O)cc3)C2)C1 ZINC001182971309 1071439826 /nfs/dbraw/zinc/43/98/26/1071439826.db2.gz KHYAWCMLDWOSFE-NRFANRHFSA-N 1 2 418.494 -0.191 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CNC(=O)c3ccc(O)cc3)C2)C1 ZINC001182971309 1071439819 /nfs/dbraw/zinc/43/98/19/1071439819.db2.gz KHYAWCMLDWOSFE-NRFANRHFSA-N 1 2 418.494 -0.191 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CNC(=O)c3ccc(O)cc3)C2)C1 ZINC001182971310 1071439850 /nfs/dbraw/zinc/43/98/50/1071439850.db2.gz KHYAWCMLDWOSFE-OAQYLSRUSA-N 1 2 418.494 -0.191 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CNC(=O)c3ccc(O)cc3)C2)C1 ZINC001182971310 1071439845 /nfs/dbraw/zinc/43/98/45/1071439845.db2.gz KHYAWCMLDWOSFE-OAQYLSRUSA-N 1 2 418.494 -0.191 20 0 HBADLO CS(=O)(=O)N1CC(C(=O)N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)C1 ZINC001183020180 1071444954 /nfs/dbraw/zinc/44/49/54/1071444954.db2.gz CQOJHRJMUCABIT-UHFFFAOYSA-N 1 2 420.535 -0.129 20 0 HBADLO CS(=O)(=O)N1CC(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)C1 ZINC001183020180 1071444952 /nfs/dbraw/zinc/44/49/52/1071444952.db2.gz CQOJHRJMUCABIT-UHFFFAOYSA-N 1 2 420.535 -0.129 20 0 HBADLO CS(=O)(=O)N1CC(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)C1 ZINC001183021164 1071446158 /nfs/dbraw/zinc/44/61/58/1071446158.db2.gz LTVACAQMIQULNQ-UHFFFAOYSA-N 1 2 406.468 -0.888 20 0 HBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC001183021440 1071446183 /nfs/dbraw/zinc/44/61/83/1071446183.db2.gz UAKITIPGERLIMY-PBHICJAKSA-N 1 2 403.501 -0.867 20 0 HBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC001183021444 1071446144 /nfs/dbraw/zinc/44/61/44/1071446144.db2.gz UAKITIPGERLIMY-RHSMWYFYSA-N 1 2 403.501 -0.867 20 0 HBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC001183021446 1071446906 /nfs/dbraw/zinc/44/69/06/1071446906.db2.gz UAKITIPGERLIMY-WMLDXEAASA-N 1 2 403.501 -0.867 20 0 HBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)C1CN(S(C)(=O)=O)C1 ZINC001183021448 1071446839 /nfs/dbraw/zinc/44/68/39/1071446839.db2.gz UAKITIPGERLIMY-YOEHRIQHSA-N 1 2 403.501 -0.867 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001183072767 1071448297 /nfs/dbraw/zinc/44/82/97/1071448297.db2.gz PESXLBZYGKHOEI-HOCLYGCPSA-N 1 2 406.487 -0.782 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1CN(C)C(=O)N1)C2 ZINC001183072770 1071448247 /nfs/dbraw/zinc/44/82/47/1071448247.db2.gz PESXLBZYGKHOEI-ZBFHGGJFSA-N 1 2 406.487 -0.782 20 0 HBADLO CC(=O)N1CSC[C@H]1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001183137650 1071451671 /nfs/dbraw/zinc/45/16/71/1071451671.db2.gz PJXDDOKYAIVTBK-INIZCTEOSA-N 1 2 420.539 -0.386 20 0 HBADLO CC(C)C1OCC(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CO1 ZINC001183180608 1071452372 /nfs/dbraw/zinc/45/23/72/1071452372.db2.gz HPZPYLSWVLHSGF-CNXDNABOSA-N 1 2 407.471 -0.442 20 0 HBADLO CC(C)C1OCC(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CO1 ZINC001183180608 1071452366 /nfs/dbraw/zinc/45/23/66/1071452366.db2.gz HPZPYLSWVLHSGF-CNXDNABOSA-N 1 2 407.471 -0.442 20 0 HBADLO CCCCC(=O)NCC(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001183266191 1071455939 /nfs/dbraw/zinc/45/59/39/1071455939.db2.gz UMSVMXWPTQCGTG-UHFFFAOYSA-N 1 2 404.515 -0.001 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H](CO)C(F)(F)F)CC2 ZINC001183283255 1071456777 /nfs/dbraw/zinc/45/67/77/1071456777.db2.gz MLYTTXJCWKLKCD-GFCCVEGCSA-N 1 2 403.405 -0.137 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H](CO)C(F)(F)F)CC2 ZINC001183283256 1071456718 /nfs/dbraw/zinc/45/67/18/1071456718.db2.gz MLYTTXJCWKLKCD-LBPRGKRZSA-N 1 2 403.405 -0.137 20 0 HBADLO COc1ccc(C(=O)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001183377018 1071458085 /nfs/dbraw/zinc/45/80/85/1071458085.db2.gz RNFBJRIPDNPELG-HOTGVXAUSA-N 1 2 413.434 -0.195 20 0 HBADLO COc1ccc(C(=O)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001183377018 1071458075 /nfs/dbraw/zinc/45/80/75/1071458075.db2.gz RNFBJRIPDNPELG-HOTGVXAUSA-N 1 2 413.434 -0.195 20 0 HBADLO COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183433574 1071459067 /nfs/dbraw/zinc/45/90/67/1071459067.db2.gz LSBGAWOWDNSJTO-SDADXPQNSA-N 1 2 419.482 -0.107 20 0 HBADLO COC(=O)[C@H]1CCC[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183433574 1071459064 /nfs/dbraw/zinc/45/90/64/1071459064.db2.gz LSBGAWOWDNSJTO-SDADXPQNSA-N 1 2 419.482 -0.107 20 0 HBADLO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N[C@@H](CO)Cc3c[nH+]c[nH]3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183461796 1071460353 /nfs/dbraw/zinc/46/03/53/1071460353.db2.gz INOQWXMKUDENQS-LGZCYFPESA-N 1 2 408.480 -0.268 20 0 HBADLO C[C@@H](O)[C@H]1C(=O)N2C(C(=O)N[C@@H](CO)Cc3c[nH]c[nH+]3)=C([C@H]3CCCO3)S[C@H]12 ZINC001183461796 1071460348 /nfs/dbraw/zinc/46/03/48/1071460348.db2.gz INOQWXMKUDENQS-LGZCYFPESA-N 1 2 408.480 -0.268 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=C[C@](C)(O)C=C[C@H]1O)CC2 ZINC001183533515 1071463313 /nfs/dbraw/zinc/46/33/13/1071463313.db2.gz AMOUFXOZRSRNNJ-DYESRHJHSA-N 1 2 415.494 -0.700 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=C[C@](C)(O)C=C[C@@H]1O)CC2 ZINC001183533519 1071463221 /nfs/dbraw/zinc/46/32/21/1071463221.db2.gz AMOUFXOZRSRNNJ-LAUBAEHRSA-N 1 2 415.494 -0.700 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=C[C@@](C)(O)C=C[C@H]1O)CC2 ZINC001183533523 1071463355 /nfs/dbraw/zinc/46/33/55/1071463355.db2.gz AMOUFXOZRSRNNJ-UTKZUKDTSA-N 1 2 415.494 -0.700 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)C1=C[C@@](C)(O)C=C[C@@H]1O)CC2 ZINC001183533526 1071463193 /nfs/dbraw/zinc/46/31/93/1071463193.db2.gz AMOUFXOZRSRNNJ-UWJYYQICSA-N 1 2 415.494 -0.700 20 0 HBADLO O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001183655433 1071467943 /nfs/dbraw/zinc/46/79/43/1071467943.db2.gz ACHYKJWRYYBBKL-UHFFFAOYSA-N 1 2 415.385 -0.678 20 0 HBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183657267 1071468743 /nfs/dbraw/zinc/46/87/43/1071468743.db2.gz OLUONWOYLDRMDS-KPZWWZAWSA-N 1 2 412.418 -0.657 20 0 HBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183657268 1071468665 /nfs/dbraw/zinc/46/86/65/1071468665.db2.gz OLUONWOYLDRMDS-KZULUSFZSA-N 1 2 412.418 -0.657 20 0 HBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183657269 1071468851 /nfs/dbraw/zinc/46/88/51/1071468851.db2.gz OLUONWOYLDRMDS-SGTLLEGYSA-N 1 2 412.418 -0.657 20 0 HBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc(F)c(=O)[nH]c1=O ZINC001183657270 1071469712 /nfs/dbraw/zinc/46/97/12/1071469712.db2.gz OLUONWOYLDRMDS-XIKOKIGWSA-N 1 2 412.418 -0.657 20 0 HBADLO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)Cn4cc(F)c(=O)[nH]c4=O)C3)O2)CC1 ZINC001183658078 1071469726 /nfs/dbraw/zinc/46/97/26/1071469726.db2.gz SLMUOQSGCQWFNG-FOIQADDNSA-N 1 2 423.489 -0.124 20 0 HBADLO CC[C@H]1CCN(CC(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1=O ZINC001183666511 1071466517 /nfs/dbraw/zinc/46/65/17/1071466517.db2.gz FNNWTTOMQCWOSB-HNNXBMFYSA-N 1 2 416.526 -0.049 20 0 HBADLO CC[C@@H]1CCN(CC(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)C1=O ZINC001183666513 1071466253 /nfs/dbraw/zinc/46/62/53/1071466253.db2.gz FNNWTTOMQCWOSB-OAHLLOKOSA-N 1 2 416.526 -0.049 20 0 HBADLO CC[C@H]1CCN(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1=O ZINC001183672991 1071466413 /nfs/dbraw/zinc/46/64/13/1071466413.db2.gz QCHYFRRRSDUJMA-QEJZJMRPSA-N 1 2 404.471 -0.828 20 0 HBADLO CC[C@H]1CCN(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1=O ZINC001183672991 1071466404 /nfs/dbraw/zinc/46/64/04/1071466404.db2.gz QCHYFRRRSDUJMA-QEJZJMRPSA-N 1 2 404.471 -0.828 20 0 HBADLO CC[C@@H]1CCN(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1=O ZINC001183672994 1071466453 /nfs/dbraw/zinc/46/64/53/1071466453.db2.gz QCHYFRRRSDUJMA-SNPRPXQTSA-N 1 2 404.471 -0.828 20 0 HBADLO CC[C@@H]1CCN(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1=O ZINC001183672994 1071466449 /nfs/dbraw/zinc/46/64/49/1071466449.db2.gz QCHYFRRRSDUJMA-SNPRPXQTSA-N 1 2 404.471 -0.828 20 0 HBADLO CC(=O)N[C@H](C(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1)[C@@H](C)O ZINC001183698524 1071466144 /nfs/dbraw/zinc/46/61/44/1071466144.db2.gz NCBRHZURYNDYMP-HFTRVMKXSA-N 1 2 423.514 -0.920 20 0 HBADLO CC(=O)N[C@H](C(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1)[C@@H](C)O ZINC001183698525 1071466427 /nfs/dbraw/zinc/46/64/27/1071466427.db2.gz NCBRHZURYNDYMP-KYJSFNMBSA-N 1 2 423.514 -0.920 20 0 HBADLO CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC001183699096 1071477873 /nfs/dbraw/zinc/47/78/73/1071477873.db2.gz RPWZIBAKDPEVBD-QAPCUYQASA-N 1 2 402.495 -0.135 20 0 HBADLO CC(=O)N[C@H](C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1)[C@@H](C)O ZINC001183699096 1071477868 /nfs/dbraw/zinc/47/78/68/1071477868.db2.gz RPWZIBAKDPEVBD-QAPCUYQASA-N 1 2 402.495 -0.135 20 0 HBADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C[C@@H]4NC(=O)CNC4=O)CC[C@@H]3C2)cs1 ZINC001183717865 1071473788 /nfs/dbraw/zinc/47/37/88/1071473788.db2.gz JPYMTVHSDSLAKH-VNQPRFMTSA-N 1 2 421.523 -0.494 20 0 HBADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C[C@@H]4NC(=O)CNC4=O)CC[C@@H]3C2)cs1 ZINC001183717865 1071473778 /nfs/dbraw/zinc/47/37/78/1071473778.db2.gz JPYMTVHSDSLAKH-VNQPRFMTSA-N 1 2 421.523 -0.494 20 0 HBADLO O=C(CCC[NH+]1CCN(C(=O)C[C@@H]2NC(=O)CNC2=O)CC1)c1ccc(F)cc1 ZINC001183727851 1071476882 /nfs/dbraw/zinc/47/68/82/1071476882.db2.gz BBPUUNANGSAHFY-INIZCTEOSA-N 1 2 404.442 -0.063 20 0 HBADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183730308 1071477007 /nfs/dbraw/zinc/47/70/07/1071477007.db2.gz YRGAEARRCWESRV-CVEARBPZSA-N 1 2 402.451 -0.733 20 0 HBADLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183730308 1071477001 /nfs/dbraw/zinc/47/70/01/1071477001.db2.gz YRGAEARRCWESRV-CVEARBPZSA-N 1 2 402.451 -0.733 20 0 HBADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183730309 1071476928 /nfs/dbraw/zinc/47/69/28/1071476928.db2.gz YRGAEARRCWESRV-HOTGVXAUSA-N 1 2 402.451 -0.733 20 0 HBADLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183730309 1071476912 /nfs/dbraw/zinc/47/69/12/1071476912.db2.gz YRGAEARRCWESRV-HOTGVXAUSA-N 1 2 402.451 -0.733 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c(=O)n1 ZINC001183757716 1071479460 /nfs/dbraw/zinc/47/94/60/1071479460.db2.gz OHDFJMDOFMDSTC-PKMBHRFZSA-N 1 2 415.450 -0.922 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c(=O)n1 ZINC001183757716 1071479456 /nfs/dbraw/zinc/47/94/56/1071479456.db2.gz OHDFJMDOFMDSTC-PKMBHRFZSA-N 1 2 415.450 -0.922 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c(=O)n1 ZINC001183757721 1071479262 /nfs/dbraw/zinc/47/92/62/1071479262.db2.gz OHDFJMDOFMDSTC-RKVZRBGQSA-N 1 2 415.450 -0.922 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c(=O)n1 ZINC001183757721 1071479250 /nfs/dbraw/zinc/47/92/50/1071479250.db2.gz OHDFJMDOFMDSTC-RKVZRBGQSA-N 1 2 415.450 -0.922 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](O)Cc1ccc(O)cc1 ZINC001183904790 1071482508 /nfs/dbraw/zinc/48/25/08/1071482508.db2.gz VVLXABIDWVQLES-ULQDDVLXSA-N 1 2 415.450 -0.778 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](O)Cc1ccc(O)cc1 ZINC001183904790 1071482504 /nfs/dbraw/zinc/48/25/04/1071482504.db2.gz VVLXABIDWVQLES-ULQDDVLXSA-N 1 2 415.450 -0.778 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](O)Cc1ccc(O)cc1 ZINC001183904791 1071482329 /nfs/dbraw/zinc/48/23/29/1071482329.db2.gz VVLXABIDWVQLES-YESZJQIVSA-N 1 2 415.450 -0.778 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](O)Cc1ccc(O)cc1 ZINC001183904791 1071482320 /nfs/dbraw/zinc/48/23/20/1071482320.db2.gz VVLXABIDWVQLES-YESZJQIVSA-N 1 2 415.450 -0.778 20 0 HBADLO CC(C)(C)C(=O)NCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183945000 1071482545 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1071488257 /nfs/dbraw/zinc/48/82/57/1071488257.db2.gz FWCSJLSXVICRDD-LDNFRZNASA-N 1 2 424.498 -0.975 20 0 HBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O ZINC001184062729 1071488235 /nfs/dbraw/zinc/48/82/35/1071488235.db2.gz FWCSJLSXVICRDD-VPCSNGCSSA-N 1 2 424.498 -0.975 20 0 HBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O ZINC001184062731 1071488060 /nfs/dbraw/zinc/48/80/60/1071488060.db2.gz FWCSJLSXVICRDD-YYQBIWNASA-N 1 2 424.498 -0.975 20 0 HBADLO C[C@@H]1NC(=O)[C@H](CCC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)NC1=O ZINC001184063107 1071484594 /nfs/dbraw/zinc/48/45/94/1071484594.db2.gz NNCVKBCVSUJQLJ-YJBOKZPZSA-N 1 2 418.494 -0.203 20 0 HBADLO CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O)C2 ZINC001184074135 1071486067 /nfs/dbraw/zinc/48/60/67/1071486067.db2.gz IZJGJTQXXOXXMY-KBPBESRZSA-N 1 2 405.503 -0.366 20 0 HBADLO CC(C)[N@H+](C)Cc1nnc2n1CCCN(C(=O)CC[C@@H]1NC(=O)[C@H](C)NC1=O)C2 ZINC001184074135 1071486061 /nfs/dbraw/zinc/48/60/61/1071486061.db2.gz IZJGJTQXXOXXMY-KBPBESRZSA-N 1 2 405.503 -0.366 20 0 HBADLO COC(=O)c1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3NC(=O)[C@H](C)NC3=O)CC2)cc1 ZINC001184074464 1071486017 /nfs/dbraw/zinc/48/60/17/1071486017.db2.gz KTLMNGBPSJZWSZ-YOEHRIQHSA-N 1 2 416.478 -0.099 20 0 HBADLO C[C@@H]1NC(=O)[C@H](CCC(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)NC1=O ZINC001184074681 1071486083 /nfs/dbraw/zinc/48/60/83/1071486083.db2.gz OOVKJDUYDGQPSD-STQMWFEESA-N 1 2 400.443 -0.962 20 0 HBADLO CC(=O)N1CCCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001184130868 1071489733 /nfs/dbraw/zinc/48/97/33/1071489733.db2.gz FQCLMYNVOHOSOM-IKGGRYGDSA-N 1 2 418.498 -0.296 20 0 HBADLO CC(=O)N1CCCC[C@@H]1CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001184130868 1071489725 /nfs/dbraw/zinc/48/97/25/1071489725.db2.gz FQCLMYNVOHOSOM-IKGGRYGDSA-N 1 2 418.498 -0.296 20 0 HBADLO CC(=O)N1CCCC[C@H]1CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001184130869 1071489925 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/nfs/dbraw/zinc/49/98/50/1071499850.db2.gz JGWBHECPDXWSMI-CQSZACIVSA-N 1 2 401.485 -0.148 20 0 HBADLO CCCC[C@H](NC=O)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001184582549 1071499693 /nfs/dbraw/zinc/49/96/93/1071499693.db2.gz SEQOIBBSERIONE-INIZCTEOSA-N 1 2 404.515 -0.003 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1[nH]c(=O)ccc1Cl ZINC001184817036 1071501742 /nfs/dbraw/zinc/50/17/42/1071501742.db2.gz ZYECHIQDEWPIEI-RYUDHWBXSA-N 1 2 406.830 -0.593 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1[nH]c(=O)ccc1Cl ZINC001184817036 1071501732 /nfs/dbraw/zinc/50/17/32/1071501732.db2.gz ZYECHIQDEWPIEI-RYUDHWBXSA-N 1 2 406.830 -0.593 20 0 HBADLO CO[C@H](CS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCOC1 ZINC001184845296 1071502686 /nfs/dbraw/zinc/50/26/86/1071502686.db2.gz IVPRCUUFKVXFJP-DLBZAZTESA-N 1 2 413.544 -0.040 20 0 HBADLO CO[C@H](CS(=O)(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 ZINC001184845301 1071502505 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CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001186047619 1071540745 /nfs/dbraw/zinc/54/07/45/1071540745.db2.gz AMDDKERRIKOICK-CQSZACIVSA-N 1 2 420.532 -0.948 20 0 HBADLO CCOC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](O)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001186055866 1071541292 /nfs/dbraw/zinc/54/12/92/1071541292.db2.gz VNSMLESICDBCLP-XKQJLSEDSA-N 1 2 414.480 -0.762 20 0 HBADLO CCOC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](O)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001186055866 1071541285 /nfs/dbraw/zinc/54/12/85/1071541285.db2.gz VNSMLESICDBCLP-XKQJLSEDSA-N 1 2 414.480 -0.762 20 0 HBADLO CCOC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](O)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001186055868 1071541228 /nfs/dbraw/zinc/54/12/28/1071541228.db2.gz VNSMLESICDBCLP-XYPHTWIQSA-N 1 2 414.480 -0.762 20 0 HBADLO CCOC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](O)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001186055868 1071541218 /nfs/dbraw/zinc/54/12/18/1071541218.db2.gz VNSMLESICDBCLP-XYPHTWIQSA-N 1 2 414.480 -0.762 20 0 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COC(=O)c1ccc(C[NH+]2CCN(C(=O)CNC(=O)[C@@H]3CCC(=O)N3)CC2)cc1 ZINC001187516846 1071592373 /nfs/dbraw/zinc/59/23/73/1071592373.db2.gz GKAJCEZODZUBHM-INIZCTEOSA-N 1 2 402.451 -0.488 20 0 HBADLO O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001187517985 1071592967 /nfs/dbraw/zinc/59/29/67/1071592967.db2.gz TYDFRKFIEIUUNX-HNNXBMFYSA-N 1 2 401.467 -0.326 20 0 HBADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187519451 1071593882 /nfs/dbraw/zinc/59/38/82/1071593882.db2.gz NEMHFIUUYGMSPQ-IRXDYDNUSA-N 1 2 416.478 -0.343 20 0 HBADLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187519451 1071593878 /nfs/dbraw/zinc/59/38/78/1071593878.db2.gz NEMHFIUUYGMSPQ-IRXDYDNUSA-N 1 2 416.478 -0.343 20 0 HBADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001187519452 1071593805 /nfs/dbraw/zinc/59/38/05/1071593805.db2.gz NEMHFIUUYGMSPQ-SJORKVTESA-N 1 2 416.478 -0.343 20 0 HBADLO 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HBADLO CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC001187708107 1071598068 /nfs/dbraw/zinc/59/80/68/1071598068.db2.gz PPZCPYSYDRWHAP-CQSZACIVSA-N 1 2 402.521 -0.223 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)c1c[nH]cn1)C2 ZINC001187747074 1071598532 /nfs/dbraw/zinc/59/85/32/1071598532.db2.gz HTEFNTOJGJOYPI-AWEZNQCLSA-N 1 2 410.500 -0.220 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(S(=O)(=O)c1c[nH]cn1)C2 ZINC001187747075 1071598491 /nfs/dbraw/zinc/59/84/91/1071598491.db2.gz HTEFNTOJGJOYPI-CQSZACIVSA-N 1 2 410.500 -0.220 20 0 HBADLO COCCn1nccc1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001187860337 1071598916 /nfs/dbraw/zinc/59/89/16/1071598916.db2.gz YYMFAAJBCSKVGJ-UHFFFAOYSA-N 1 2 415.498 -0.151 20 0 HBADLO C[S@@](=O)c1ccccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001187868819 1071599513 /nfs/dbraw/zinc/59/95/13/1071599513.db2.gz CUIYCDSJCSWLEC-LBHNULEISA-N 1 2 417.491 -0.036 20 0 HBADLO 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407.471 -0.206 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)C1 ZINC001189088737 1071617959 /nfs/dbraw/zinc/61/79/59/1071617959.db2.gz MUQBDVQTGPQEIQ-LJQANCHMSA-N 1 2 407.471 -0.206 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(OC)nc(OC)n3)C2)C1 ZINC001189088737 1071617957 /nfs/dbraw/zinc/61/79/57/1071617957.db2.gz MUQBDVQTGPQEIQ-LJQANCHMSA-N 1 2 407.471 -0.206 20 0 HBADLO COc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)nc(OC)n1 ZINC001189100424 1071618531 /nfs/dbraw/zinc/61/85/31/1071618531.db2.gz UXTUNWSPFVWLAX-STQMWFEESA-N 1 2 417.426 -0.966 20 0 HBADLO COc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)nc(OC)n1 ZINC001189100424 1071618529 /nfs/dbraw/zinc/61/85/29/1071618529.db2.gz UXTUNWSPFVWLAX-STQMWFEESA-N 1 2 417.426 -0.966 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cncnc1N)C2 ZINC001189109531 1071617334 /nfs/dbraw/zinc/61/73/34/1071617334.db2.gz VDUKXESWHHYTGQ-AWEZNQCLSA-N 1 2 401.471 -0.119 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cncnc1N)C2 ZINC001189109532 1071617289 /nfs/dbraw/zinc/61/72/89/1071617289.db2.gz VDUKXESWHHYTGQ-CQSZACIVSA-N 1 2 401.471 -0.119 20 0 HBADLO O=C(C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1)NCC(=O)N1CCCC1 ZINC001189187359 1071619111 /nfs/dbraw/zinc/61/91/11/1071619111.db2.gz GCWORMODIPEAIN-TZNCUMHOSA-N 1 2 404.511 -0.175 20 0 HBADLO O=C(C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1)NCC(=O)N1CCCC1 ZINC001189187359 1071619104 /nfs/dbraw/zinc/61/91/04/1071619104.db2.gz GCWORMODIPEAIN-TZNCUMHOSA-N 1 2 404.511 -0.175 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001189224413 1071619604 /nfs/dbraw/zinc/61/96/04/1071619604.db2.gz XBAYHMCCLLWXJE-IBGZPJMESA-N 1 2 407.471 -0.206 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001189224413 1071619601 /nfs/dbraw/zinc/61/96/01/1071619601.db2.gz XBAYHMCCLLWXJE-IBGZPJMESA-N 1 2 407.471 -0.206 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001189224414 1071619622 /nfs/dbraw/zinc/61/96/22/1071619622.db2.gz XBAYHMCCLLWXJE-LJQANCHMSA-N 1 2 407.471 -0.206 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3nc(OC)cc(OC)n3)C2)C1 ZINC001189224414 1071619619 /nfs/dbraw/zinc/61/96/19/1071619619.db2.gz XBAYHMCCLLWXJE-LJQANCHMSA-N 1 2 407.471 -0.206 20 0 HBADLO COc1cc(OC)nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001189232511 1071620194 /nfs/dbraw/zinc/62/01/94/1071620194.db2.gz LWQOFINBBLTFDA-RYUDHWBXSA-N 1 2 417.426 -0.966 20 0 HBADLO COc1cc(OC)nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001189232511 1071620192 /nfs/dbraw/zinc/62/01/92/1071620192.db2.gz LWQOFINBBLTFDA-RYUDHWBXSA-N 1 2 417.426 -0.966 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@H](C(C)(C)C)C2=O)CC1 ZINC001189321479 1071620316 /nfs/dbraw/zinc/62/03/16/1071620316.db2.gz LVNULYIQJOGYID-AWEZNQCLSA-N 1 2 414.470 -0.022 20 0 HBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@H](C(C)(C)C)C2=O)CC1 ZINC001189321480 1071620256 /nfs/dbraw/zinc/62/02/56/1071620256.db2.gz LVNULYIQJOGYID-CQSZACIVSA-N 1 2 414.470 -0.022 20 0 HBADLO Cn1c(=O)cc(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)n(C)c1=O ZINC001189421470 1071621876 /nfs/dbraw/zinc/62/18/76/1071621876.db2.gz YFXNIOYVHYZGPS-UHFFFAOYSA-N 1 2 402.451 -0.275 20 0 HBADLO COC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC2)cc1 ZINC001189427494 1071621898 /nfs/dbraw/zinc/62/18/98/1071621898.db2.gz APBYHOBHHLSODD-UHFFFAOYSA-N 1 2 400.435 -0.171 20 0 HBADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189430118 1071623478 /nfs/dbraw/zinc/62/34/78/1071623478.db2.gz YFNYLBGODQCBKJ-INIZCTEOSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189430118 1071623473 /nfs/dbraw/zinc/62/34/73/1071623473.db2.gz YFNYLBGODQCBKJ-INIZCTEOSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189430121 1071623390 /nfs/dbraw/zinc/62/33/90/1071623390.db2.gz YFNYLBGODQCBKJ-MRXNPFEDSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cc(=O)n(C)c(=O)n1C ZINC001189430121 1071623385 /nfs/dbraw/zinc/62/33/85/1071623385.db2.gz YFNYLBGODQCBKJ-MRXNPFEDSA-N 1 2 414.462 -0.026 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001189487100 1071624793 /nfs/dbraw/zinc/62/47/93/1071624793.db2.gz CUVLXXUGOROUAC-HNNXBMFYSA-N 1 2 416.482 -0.398 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ccc(=O)n(C)n1)C2 ZINC001189487101 1071624828 /nfs/dbraw/zinc/62/48/28/1071624828.db2.gz CUVLXXUGOROUAC-OAHLLOKOSA-N 1 2 416.482 -0.398 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001189537467 1071626954 /nfs/dbraw/zinc/62/69/54/1071626954.db2.gz ZABGCEISTJCOOZ-QWRGUYRKSA-N 1 2 413.360 -0.031 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(C(F)(F)F)n[nH]1 ZINC001189537467 1071626949 /nfs/dbraw/zinc/62/69/49/1071626949.db2.gz ZABGCEISTJCOOZ-QWRGUYRKSA-N 1 2 413.360 -0.031 20 0 HBADLO COC(=O)c1ccncc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001189809683 1071629875 /nfs/dbraw/zinc/62/98/75/1071629875.db2.gz URZQLMMJWCOVCU-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO COC(=O)c1ccncc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001189809683 1071629870 /nfs/dbraw/zinc/62/98/70/1071629870.db2.gz URZQLMMJWCOVCU-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO CN(C)c1ncc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001189839703 1071630581 /nfs/dbraw/zinc/63/05/81/1071630581.db2.gz RKEXAOXAMZGLRG-UHFFFAOYSA-N 1 2 412.498 -0.138 20 0 HBADLO CN(C)c1ncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001189857680 1071629947 /nfs/dbraw/zinc/62/99/47/1071629947.db2.gz UCAJBTOEKZPQGQ-KBPBESRZSA-N 1 2 400.443 -0.917 20 0 HBADLO CN(C)c1ncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001189857680 1071629940 /nfs/dbraw/zinc/62/99/40/1071629940.db2.gz UCAJBTOEKZPQGQ-KBPBESRZSA-N 1 2 400.443 -0.917 20 0 HBADLO CCOC(=O)CNC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001189884116 1071630557 /nfs/dbraw/zinc/63/05/57/1071630557.db2.gz LGVMSMBGRTZCFH-HNNXBMFYSA-N 1 2 409.487 -0.059 20 0 HBADLO CCOC(=O)CNC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001189884118 1071630545 /nfs/dbraw/zinc/63/05/45/1071630545.db2.gz LGVMSMBGRTZCFH-OAHLLOKOSA-N 1 2 409.487 -0.059 20 0 HBADLO CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001189917712 1071631626 /nfs/dbraw/zinc/63/16/26/1071631626.db2.gz KADRWRJGQBACGX-GJZGRUSLSA-N 1 2 413.438 -0.420 20 0 HBADLO CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001189917712 1071631619 /nfs/dbraw/zinc/63/16/19/1071631619.db2.gz KADRWRJGQBACGX-GJZGRUSLSA-N 1 2 413.438 -0.420 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC001189975688 1071632538 /nfs/dbraw/zinc/63/25/38/1071632538.db2.gz JAWDXINHHFEIOL-HOTGVXAUSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC001189975688 1071632532 /nfs/dbraw/zinc/63/25/32/1071632532.db2.gz JAWDXINHHFEIOL-HOTGVXAUSA-N 1 2 422.449 -0.192 20 0 HBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)c2ccccc2-n2cc[nH+]c2)c(=O)n1 ZINC001190107641 1071633799 /nfs/dbraw/zinc/63/37/99/1071633799.db2.gz TVHVLRHZDOQNJS-GFOCRRMGSA-N 1 2 412.406 -0.697 20 0 HBADLO COc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)n1 ZINC001190258363 1071637293 /nfs/dbraw/zinc/63/72/93/1071637293.db2.gz PBUDXBWQWODHTM-KBPBESRZSA-N 1 2 416.438 -0.361 20 0 HBADLO COc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(OC)n1 ZINC001190258363 1071637287 /nfs/dbraw/zinc/63/72/87/1071637287.db2.gz PBUDXBWQWODHTM-KBPBESRZSA-N 1 2 416.438 -0.361 20 0 HBADLO COC(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)nc1 ZINC001190324430 1071638372 /nfs/dbraw/zinc/63/83/72/1071638372.db2.gz HMMDDTSNTPGGPO-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO COC(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)nc1 ZINC001190324430 1071638368 /nfs/dbraw/zinc/63/83/68/1071638368.db2.gz HMMDDTSNTPGGPO-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccccc1-n1nccn1 ZINC001190373174 1071639051 /nfs/dbraw/zinc/63/90/51/1071639051.db2.gz YICKUGQNZOMVHL-RDJZCZTQSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccccc1-n1nccn1 ZINC001190373174 1071639041 /nfs/dbraw/zinc/63/90/41/1071639041.db2.gz YICKUGQNZOMVHL-RDJZCZTQSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccccc1-n1ccnn1 ZINC001190417311 1071639639 /nfs/dbraw/zinc/63/96/39/1071639639.db2.gz UULOWNCEIYGCPV-RDJZCZTQSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccccc1-n1ccnn1 ZINC001190417311 1071639633 /nfs/dbraw/zinc/63/96/33/1071639633.db2.gz UULOWNCEIYGCPV-RDJZCZTQSA-N 1 2 422.449 -0.192 20 0 HBADLO COC(=O)[C@H](C)NC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001190523240 1071641330 /nfs/dbraw/zinc/64/13/30/1071641330.db2.gz OLAPXCXBBCDXSZ-GJZGRUSLSA-N 1 2 409.487 -0.061 20 0 HBADLO COC(=O)[C@H](C)NC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001190523241 1071641350 /nfs/dbraw/zinc/64/13/50/1071641350.db2.gz OLAPXCXBBCDXSZ-LSDHHAIUSA-N 1 2 409.487 -0.061 20 0 HBADLO CN(C)c1cncc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)n1 ZINC001190721799 1071644703 /nfs/dbraw/zinc/64/47/03/1071644703.db2.gz FAEJUBNJTDXCRY-UHFFFAOYSA-N 1 2 412.498 -0.138 20 0 HBADLO CN(C)c1cncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001190735890 1071644740 /nfs/dbraw/zinc/64/47/40/1071644740.db2.gz QDAKAOGKKQTCDE-JSGCOSHPSA-N 1 2 400.443 -0.917 20 0 HBADLO CN(C)c1cncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001190735890 1071644735 /nfs/dbraw/zinc/64/47/35/1071644735.db2.gz QDAKAOGKKQTCDE-JSGCOSHPSA-N 1 2 400.443 -0.917 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC001190802648 1071646063 /nfs/dbraw/zinc/64/60/63/1071646063.db2.gz XTHHZGQVWMFYPA-INIZCTEOSA-N 1 2 416.544 -0.760 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC001190802648 1071646057 /nfs/dbraw/zinc/64/60/57/1071646057.db2.gz XTHHZGQVWMFYPA-INIZCTEOSA-N 1 2 416.544 -0.760 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001190802795 1071645968 /nfs/dbraw/zinc/64/59/68/1071645968.db2.gz XTHHZGQVWMFYPA-MRXNPFEDSA-N 1 2 416.544 -0.760 20 0 HBADLO CS(=O)(=O)N1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001190802795 1071645961 /nfs/dbraw/zinc/64/59/61/1071645961.db2.gz XTHHZGQVWMFYPA-MRXNPFEDSA-N 1 2 416.544 -0.760 20 0 HBADLO COc1nc(C)ccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001190819722 1071645893 /nfs/dbraw/zinc/64/58/93/1071645893.db2.gz XKJWCFNBTMXGFY-GJZGRUSLSA-N 1 2 400.439 -0.061 20 0 HBADLO COc1nc(C)ccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001190819722 1071645886 /nfs/dbraw/zinc/64/58/86/1071645886.db2.gz XKJWCFNBTMXGFY-GJZGRUSLSA-N 1 2 400.439 -0.061 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccncc1)CC2 ZINC001190864924 1071646670 /nfs/dbraw/zinc/64/66/70/1071646670.db2.gz RGFXJRGMQMQGAE-UHFFFAOYSA-N 1 2 404.496 -0.050 20 0 HBADLO CN(C[C@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(=O)OC(C)(C)C ZINC001190884264 1071647308 /nfs/dbraw/zinc/64/73/08/1071647308.db2.gz VJISZMVPWPWJIB-AWEZNQCLSA-N 1 2 412.487 -0.493 20 0 HBADLO CN(C[C@@H](O)C[NH+]1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C(=O)OC(C)(C)C ZINC001190884265 1071647367 /nfs/dbraw/zinc/64/73/67/1071647367.db2.gz VJISZMVPWPWJIB-CQSZACIVSA-N 1 2 412.487 -0.493 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(=O)[nH]c1Cl ZINC001190926883 1071647423 /nfs/dbraw/zinc/64/74/23/1071647423.db2.gz VIRLPFHSKLLYEK-RYUDHWBXSA-N 1 2 406.830 -0.019 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(=O)[nH]c1Cl ZINC001190926883 1071647420 /nfs/dbraw/zinc/64/74/20/1071647420.db2.gz VIRLPFHSKLLYEK-RYUDHWBXSA-N 1 2 406.830 -0.019 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1c[nH]c(=O)n1C)C2 ZINC001190987760 1071647801 /nfs/dbraw/zinc/64/78/01/1071647801.db2.gz NLOMQYFMCLJGRV-AWEZNQCLSA-N 1 2 404.471 -0.052 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1c[nH]c(=O)n1C)C2 ZINC001190987761 1071647924 /nfs/dbraw/zinc/64/79/24/1071647924.db2.gz NLOMQYFMCLJGRV-CQSZACIVSA-N 1 2 404.471 -0.052 20 0 HBADLO CCN1CCN(C(=O)CC2CC[NH+](Cc3cc(=O)n4nc(N)[nH]c4n3)CC2)CC1 ZINC001190994673 1071649082 /nfs/dbraw/zinc/64/90/82/1071649082.db2.gz JXVCXNJZEVXRPM-UHFFFAOYSA-N 1 2 402.503 -0.234 20 0 HBADLO COC(=O)c1cncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001191227217 1071652628 /nfs/dbraw/zinc/65/26/28/1071652628.db2.gz PLARMRUFINMVHW-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO COC(=O)c1cncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001191227217 1071652624 /nfs/dbraw/zinc/65/26/24/1071652624.db2.gz PLARMRUFINMVHW-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001191265239 1071652612 /nfs/dbraw/zinc/65/26/12/1071652612.db2.gz NTVDRKNKDSGGJP-AWEZNQCLSA-N 1 2 423.532 -0.226 20 0 HBADLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001191265239 1071652601 /nfs/dbraw/zinc/65/26/01/1071652601.db2.gz NTVDRKNKDSGGJP-AWEZNQCLSA-N 1 2 423.532 -0.226 20 0 HBADLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001191265240 1071653187 /nfs/dbraw/zinc/65/31/87/1071653187.db2.gz NTVDRKNKDSGGJP-CQSZACIVSA-N 1 2 423.532 -0.226 20 0 HBADLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC001191265240 1071653182 /nfs/dbraw/zinc/65/31/82/1071653182.db2.gz NTVDRKNKDSGGJP-CQSZACIVSA-N 1 2 423.532 -0.226 20 0 HBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@@H+](C)C1 ZINC001191439262 1071654365 /nfs/dbraw/zinc/65/43/65/1071654365.db2.gz XJYLDGIYPUUEGJ-CYBMUJFWSA-N 1 2 419.525 -0.338 20 0 HBADLO COC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@H+](C)C1 ZINC001191439262 1071654359 /nfs/dbraw/zinc/65/43/59/1071654359.db2.gz XJYLDGIYPUUEGJ-CYBMUJFWSA-N 1 2 419.525 -0.338 20 0 HBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@@H+](C)C1 ZINC001191439263 1071654232 /nfs/dbraw/zinc/65/42/32/1071654232.db2.gz XJYLDGIYPUUEGJ-ZDUSSCGKSA-N 1 2 419.525 -0.338 20 0 HBADLO COC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC[N@H+](C)C1 ZINC001191439263 1071654226 /nfs/dbraw/zinc/65/42/26/1071654226.db2.gz XJYLDGIYPUUEGJ-ZDUSSCGKSA-N 1 2 419.525 -0.338 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ncc[nH]c1=O)C2 ZINC001191505369 1071656124 /nfs/dbraw/zinc/65/61/24/1071656124.db2.gz OLZSBPRQOSSAOR-AWEZNQCLSA-N 1 2 402.455 -0.408 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1ncc[nH]c1=O)C2 ZINC001191505370 1071656177 /nfs/dbraw/zinc/65/61/77/1071656177.db2.gz OLZSBPRQOSSAOR-CQSZACIVSA-N 1 2 402.455 -0.408 20 0 HBADLO C[S@](=O)CC[NH+]1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001191590526 1071656736 /nfs/dbraw/zinc/65/67/36/1071656736.db2.gz BICTXNYUONUUEK-BZQUYTCOSA-N 1 2 409.618 -0.016 20 0 HBADLO C[S@](=O)CC[NH+]1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001191590528 1071656579 /nfs/dbraw/zinc/65/65/79/1071656579.db2.gz BICTXNYUONUUEK-MQNRADLISA-N 1 2 409.618 -0.016 20 0 HBADLO C[S@@](=O)CC[NH+]1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001191590530 1071656574 /nfs/dbraw/zinc/65/65/74/1071656574.db2.gz BICTXNYUONUUEK-ODCWNRFASA-N 1 2 409.618 -0.016 20 0 HBADLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001191590532 1071656644 /nfs/dbraw/zinc/65/66/44/1071656644.db2.gz BICTXNYUONUUEK-SGANQWHYSA-N 1 2 409.618 -0.016 20 0 HBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC[C@H]3CCNC3=O)CC2)cc1 ZINC001191673033 1071658596 /nfs/dbraw/zinc/65/85/96/1071658596.db2.gz RHJFSIIDNVDEFF-CYBMUJFWSA-N 1 2 416.525 -0.834 20 0 HBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](CC[C@@H]3CCNC3=O)CC2)cc1 ZINC001191673034 1071658551 /nfs/dbraw/zinc/65/85/51/1071658551.db2.gz RHJFSIIDNVDEFF-ZDUSSCGKSA-N 1 2 416.525 -0.834 20 0 HBADLO COC(=O)C1(C[NH+]2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC001191673516 1071658745 /nfs/dbraw/zinc/65/87/45/1071658745.db2.gz YRVRZGHVLHDBMT-UHFFFAOYSA-N 1 2 417.509 -0.407 20 0 HBADLO CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)c1 ZINC001191680525 1071658463 /nfs/dbraw/zinc/65/84/63/1071658463.db2.gz QFEBXTXZDLDAQR-IKGGRYGDSA-N 1 2 409.512 -0.598 20 0 HBADLO CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)c1 ZINC001191680570 1071658530 /nfs/dbraw/zinc/65/85/30/1071658530.db2.gz QFEBXTXZDLDAQR-IXDOHACOSA-N 1 2 409.512 -0.598 20 0 HBADLO CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)c1 ZINC001191680575 1071658731 /nfs/dbraw/zinc/65/87/31/1071658731.db2.gz QFEBXTXZDLDAQR-ULQDDVLXSA-N 1 2 409.512 -0.598 20 0 HBADLO CCS(=O)(=O)c1ccc(OCC2CC2)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)c1 ZINC001191680577 1071658619 /nfs/dbraw/zinc/65/86/19/1071658619.db2.gz QFEBXTXZDLDAQR-YESZJQIVSA-N 1 2 409.512 -0.598 20 0 HBADLO CCS(=O)(=O)N(C)C1CC[NH+](CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 ZINC001191682161 1071658644 /nfs/dbraw/zinc/65/86/44/1071658644.db2.gz NOXBAUJMWAUFHS-UHFFFAOYSA-N 1 2 424.589 -0.728 20 0 HBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC001191952093 1071662209 /nfs/dbraw/zinc/66/22/09/1071662209.db2.gz IULYGMMIGLYPBG-UHFFFAOYSA-N 1 2 418.560 -0.008 20 0 HBADLO COCC[N@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(C)(C)C1 ZINC001192002643 1071662326 /nfs/dbraw/zinc/66/23/26/1071662326.db2.gz HNYKZNHGJLAENC-UHFFFAOYSA-N 1 2 411.484 -0.235 20 0 HBADLO COCC[N@@H+]1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)C(C)(C)C1 ZINC001192002643 1071662324 /nfs/dbraw/zinc/66/23/24/1071662324.db2.gz HNYKZNHGJLAENC-UHFFFAOYSA-N 1 2 411.484 -0.235 20 0 HBADLO CCCCCCn1cc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(=O)[nH]c1=O ZINC001192132240 1071664500 /nfs/dbraw/zinc/66/45/00/1071664500.db2.gz UPNSRELFHDSUQB-CQSZACIVSA-N 1 2 400.501 -0.031 20 0 HBADLO CCCCCCn1cc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(=O)[nH]c1=O ZINC001192132240 1071664488 /nfs/dbraw/zinc/66/44/88/1071664488.db2.gz UPNSRELFHDSUQB-CQSZACIVSA-N 1 2 400.501 -0.031 20 0 HBADLO C[C@@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001192344539 1071666966 /nfs/dbraw/zinc/66/69/66/1071666966.db2.gz LUPWFBHMGJQGSE-GFCCVEGCSA-N 1 2 423.495 -0.092 20 0 HBADLO C[C@@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001192344539 1071666963 /nfs/dbraw/zinc/66/69/63/1071666963.db2.gz LUPWFBHMGJQGSE-GFCCVEGCSA-N 1 2 423.495 -0.092 20 0 HBADLO C[C@H]1COCC[N@H+]1C1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001192344540 1071666937 /nfs/dbraw/zinc/66/69/37/1071666937.db2.gz LUPWFBHMGJQGSE-LBPRGKRZSA-N 1 2 423.495 -0.092 20 0 HBADLO C[C@H]1COCC[N@@H+]1C1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001192344540 1071666933 /nfs/dbraw/zinc/66/69/33/1071666933.db2.gz LUPWFBHMGJQGSE-LBPRGKRZSA-N 1 2 423.495 -0.092 20 0 HBADLO CCOC(=O)C(=O)c1cc(S(=O)(=O)N(CC[NH+](C)C)CC(=O)N(C)C)cn1C ZINC001192388295 1071668156 /nfs/dbraw/zinc/66/81/56/1071668156.db2.gz YXHVEBPOGJIYGC-UHFFFAOYSA-N 1 2 416.500 -0.589 20 0 HBADLO COc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc(OC)n1 ZINC001192428181 1071668728 /nfs/dbraw/zinc/66/87/28/1071668728.db2.gz SJSCDZUZUSZTBD-KBPBESRZSA-N 1 2 416.438 -0.361 20 0 HBADLO COc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc(OC)n1 ZINC001192428181 1071668725 /nfs/dbraw/zinc/66/87/25/1071668725.db2.gz SJSCDZUZUSZTBD-KBPBESRZSA-N 1 2 416.438 -0.361 20 0 HBADLO COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470378 1071668797 /nfs/dbraw/zinc/66/87/97/1071668797.db2.gz CMKHLTXWXKFLFM-CABCVRRESA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470378 1071668792 /nfs/dbraw/zinc/66/87/92/1071668792.db2.gz CMKHLTXWXKFLFM-CABCVRRESA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@H]([N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470379 1071668631 /nfs/dbraw/zinc/66/86/31/1071668631.db2.gz CMKHLTXWXKFLFM-GJZGRUSLSA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@H]([N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470379 1071668624 /nfs/dbraw/zinc/66/86/24/1071668624.db2.gz CMKHLTXWXKFLFM-GJZGRUSLSA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470380 1071668564 /nfs/dbraw/zinc/66/85/64/1071668564.db2.gz CMKHLTXWXKFLFM-HUUCEWRRSA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470380 1071668558 /nfs/dbraw/zinc/66/85/58/1071668558.db2.gz CMKHLTXWXKFLFM-HUUCEWRRSA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@@H]([N@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470548 1071668749 /nfs/dbraw/zinc/66/87/49/1071668749.db2.gz CMKHLTXWXKFLFM-LSDHHAIUSA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)CCN1CC[C@@H]([N@@H+]2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1=O ZINC001192470548 1071668745 /nfs/dbraw/zinc/66/87/45/1071668745.db2.gz CMKHLTXWXKFLFM-LSDHHAIUSA-N 1 2 403.501 -0.723 20 0 HBADLO COC(=O)c1ncccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001192506892 1071669271 /nfs/dbraw/zinc/66/92/71/1071669271.db2.gz APASVQQBKVGDGY-KBPBESRZSA-N 1 2 414.422 -0.591 20 0 HBADLO COC(=O)c1ncccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001192506892 1071669265 /nfs/dbraw/zinc/66/92/65/1071669265.db2.gz APASVQQBKVGDGY-KBPBESRZSA-N 1 2 414.422 -0.591 20 0 HBADLO Cc1cc(=O)oc(C)c1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001192532201 1071669757 /nfs/dbraw/zinc/66/97/57/1071669757.db2.gz UYLAVQQEBFCPEL-KBPBESRZSA-N 1 2 401.423 -0.203 20 0 HBADLO Cc1cc(=O)oc(C)c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001192532201 1071669752 /nfs/dbraw/zinc/66/97/52/1071669752.db2.gz UYLAVQQEBFCPEL-KBPBESRZSA-N 1 2 401.423 -0.203 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnc(C(F)F)cn1 ZINC001192574849 1071669906 /nfs/dbraw/zinc/66/99/06/1071669906.db2.gz KWUIFZKSLLXXSN-GWCFXTLKSA-N 1 2 407.381 -0.045 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnc(C(F)F)cn1 ZINC001192574849 1071669900 /nfs/dbraw/zinc/66/99/00/1071669900.db2.gz KWUIFZKSLLXXSN-GWCFXTLKSA-N 1 2 407.381 -0.045 20 0 HBADLO COc1ccc(C[N@H+]2CC[C@H]2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC001192723954 1071672599 /nfs/dbraw/zinc/67/25/99/1071672599.db2.gz HAKGYPHHYWHHCI-AWEZNQCLSA-N 1 2 408.480 -0.355 20 0 HBADLO COc1ccc(C[N@@H+]2CC[C@H]2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC001192723954 1071672598 /nfs/dbraw/zinc/67/25/98/1071672598.db2.gz HAKGYPHHYWHHCI-AWEZNQCLSA-N 1 2 408.480 -0.355 20 0 HBADLO COc1ccc(C[N@H+]2CC[C@@H]2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC001192723955 1071672571 /nfs/dbraw/zinc/67/25/71/1071672571.db2.gz HAKGYPHHYWHHCI-CQSZACIVSA-N 1 2 408.480 -0.355 20 0 HBADLO COc1ccc(C[N@@H+]2CC[C@@H]2CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC001192723955 1071672569 /nfs/dbraw/zinc/67/25/69/1071672569.db2.gz HAKGYPHHYWHHCI-CQSZACIVSA-N 1 2 408.480 -0.355 20 0 HBADLO Cc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)nc(Cl)n1 ZINC001192823468 1071673183 /nfs/dbraw/zinc/67/31/83/1071673183.db2.gz MKIRCMPMIQNWED-STQMWFEESA-N 1 2 405.846 -0.021 20 0 HBADLO Cc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)nc(Cl)n1 ZINC001192823468 1071673180 /nfs/dbraw/zinc/67/31/80/1071673180.db2.gz MKIRCMPMIQNWED-STQMWFEESA-N 1 2 405.846 -0.021 20 0 HBADLO CS(=O)(=O)N1CC(CS(=O)(=O)NCc2cc[nH+]c(N3CCSCC3)c2)C1 ZINC001193160611 1071679221 /nfs/dbraw/zinc/67/92/21/1071679221.db2.gz IKRNGQUDJZCMGT-UHFFFAOYSA-N 1 2 420.582 -0.054 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)C[C@@H]1CCCO1)CC2 ZINC001193218441 1071680236 /nfs/dbraw/zinc/68/02/36/1071680236.db2.gz HTNUCLDGIPMGHC-AWEZNQCLSA-N 1 2 411.528 -0.325 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)C[C@H]1CCCO1)CC2 ZINC001193218442 1071680195 /nfs/dbraw/zinc/68/01/95/1071680195.db2.gz HTNUCLDGIPMGHC-CQSZACIVSA-N 1 2 411.528 -0.325 20 0 HBADLO Cc1cnc(Cl)nc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193256826 1071682353 /nfs/dbraw/zinc/68/23/53/1071682353.db2.gz HSMUVCRZDZTEAP-RYUDHWBXSA-N 1 2 405.846 -0.021 20 0 HBADLO Cc1cnc(Cl)nc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193256826 1071682345 /nfs/dbraw/zinc/68/23/45/1071682345.db2.gz HSMUVCRZDZTEAP-RYUDHWBXSA-N 1 2 405.846 -0.021 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Br)n[nH]1 ZINC001193305562 1071683463 /nfs/dbraw/zinc/68/34/63/1071683463.db2.gz NUWPMPQKXVNZLV-QWRGUYRKSA-N 1 2 424.259 -0.287 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Br)n[nH]1 ZINC001193305562 1071683460 /nfs/dbraw/zinc/68/34/60/1071683460.db2.gz NUWPMPQKXVNZLV-QWRGUYRKSA-N 1 2 424.259 -0.287 20 0 HBADLO COC(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001193417043 1071685922 /nfs/dbraw/zinc/68/59/22/1071685922.db2.gz WCUKIMPMFXQOEL-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO COC(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001193417043 1071685921 /nfs/dbraw/zinc/68/59/21/1071685921.db2.gz WCUKIMPMFXQOEL-GJZGRUSLSA-N 1 2 414.422 -0.591 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnnn1-c1ccccc1 ZINC001193435570 1071685872 /nfs/dbraw/zinc/68/58/72/1071685872.db2.gz AEEWPGQWAGQCDC-HOTGVXAUSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnnn1-c1ccccc1 ZINC001193435570 1071685865 /nfs/dbraw/zinc/68/58/65/1071685865.db2.gz AEEWPGQWAGQCDC-HOTGVXAUSA-N 1 2 422.449 -0.192 20 0 HBADLO Cn1ccnc1S(=O)(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001193572520 1071687718 /nfs/dbraw/zinc/68/77/18/1071687718.db2.gz LBWVOHXHCBPPCO-HNNXBMFYSA-N 1 2 424.527 -0.210 20 0 HBADLO Cn1ccnc1S(=O)(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001193572521 1071687653 /nfs/dbraw/zinc/68/76/53/1071687653.db2.gz LBWVOHXHCBPPCO-OAHLLOKOSA-N 1 2 424.527 -0.210 20 0 HBADLO Cn1ccnc1S(=O)(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001193572864 1071687705 /nfs/dbraw/zinc/68/77/05/1071687705.db2.gz PVWXJZNGBKZACV-UHFFFAOYSA-N 1 2 407.500 -0.712 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1ncccc1C(N)=O)CC2 ZINC001193606879 1071689404 /nfs/dbraw/zinc/68/94/04/1071689404.db2.gz LIPASOAPXZZYTQ-UHFFFAOYSA-N 1 2 411.466 -0.500 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(-n2cncn2)nc1 ZINC001193700779 1071691843 /nfs/dbraw/zinc/69/18/43/1071691843.db2.gz XGABZZGCMIICPS-GJZGRUSLSA-N 1 2 423.437 -0.797 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(-n2cncn2)nc1 ZINC001193700779 1071691836 /nfs/dbraw/zinc/69/18/36/1071691836.db2.gz XGABZZGCMIICPS-GJZGRUSLSA-N 1 2 423.437 -0.797 20 0 HBADLO CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001193727084 1071690621 /nfs/dbraw/zinc/69/06/21/1071690621.db2.gz UBMOLNIJPXZKSK-GJZGRUSLSA-N 1 2 413.438 -0.420 20 0 HBADLO CC(=O)Nc1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)n1 ZINC001193727084 1071690611 /nfs/dbraw/zinc/69/06/11/1071690611.db2.gz UBMOLNIJPXZKSK-GJZGRUSLSA-N 1 2 413.438 -0.420 20 0 HBADLO CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001193811321 1071692940 /nfs/dbraw/zinc/69/29/40/1071692940.db2.gz IWDJBUTUXNYZMY-UHFFFAOYSA-N 1 2 416.569 -0.005 20 0 HBADLO CC(=O)c1nc(C(=O)N2CCc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)cn1C ZINC001193829495 1071692975 /nfs/dbraw/zinc/69/29/75/1071692975.db2.gz WKPHFJIIHXCLKV-UHFFFAOYSA-N 1 2 413.482 -0.058 20 0 HBADLO CC(=O)c1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1C ZINC001193841895 1071692959 /nfs/dbraw/zinc/69/29/59/1071692959.db2.gz SUJXJPXRCZBFAG-JSGCOSHPSA-N 1 2 401.427 -0.837 20 0 HBADLO CC(=O)c1nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1C ZINC001193841895 1071692956 /nfs/dbraw/zinc/69/29/56/1071692956.db2.gz SUJXJPXRCZBFAG-JSGCOSHPSA-N 1 2 401.427 -0.837 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cccc(-n2cncn2)c1 ZINC001193912556 1071694341 /nfs/dbraw/zinc/69/43/41/1071694341.db2.gz ZICIMFZQENMJPT-IRXDYDNUSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cccc(-n2cncn2)c1 ZINC001193912556 1071694333 /nfs/dbraw/zinc/69/43/33/1071694333.db2.gz ZICIMFZQENMJPT-IRXDYDNUSA-N 1 2 422.449 -0.192 20 0 HBADLO Cc1cc(O)cc(O)c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193951951 1071694279 /nfs/dbraw/zinc/69/42/79/1071694279.db2.gz AMTJWLYUDIQQIM-KBPBESRZSA-N 1 2 401.423 -0.053 20 0 HBADLO Cc1nc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c(=O)[nH]c1C ZINC001193960405 1071694168 /nfs/dbraw/zinc/69/41/68/1071694168.db2.gz VXIQUMJUNRGDCF-UHFFFAOYSA-N 1 2 413.482 -0.294 20 0 HBADLO CN(C=O)c1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001194026054 1071695814 /nfs/dbraw/zinc/69/58/14/1071695814.db2.gz VALLHYSLQILGLB-IRXDYDNUSA-N 1 2 412.450 -0.180 20 0 HBADLO CN(C=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001194026054 1071695806 /nfs/dbraw/zinc/69/58/06/1071695806.db2.gz VALLHYSLQILGLB-IRXDYDNUSA-N 1 2 412.450 -0.180 20 0 HBADLO CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001194205700 1071699404 /nfs/dbraw/zinc/69/94/04/1071699404.db2.gz BTCLBMXCUDPMDZ-UHFFFAOYSA-N 1 2 417.557 -0.791 20 0 HBADLO CNS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)CCn3cc[nH+]c3)CC2)cc1 ZINC001194205814 1071699330 /nfs/dbraw/zinc/69/93/30/1071699330.db2.gz GULAZWBMTXUXAF-UHFFFAOYSA-N 1 2 413.525 -0.057 20 0 HBADLO COC(=O)c1cc(C(=O)N2CCc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)[nH]n1 ZINC001194285700 1071701016 /nfs/dbraw/zinc/70/10/16/1071701016.db2.gz BPPCKWXGYYVFCF-UHFFFAOYSA-N 1 2 415.454 -0.484 20 0 HBADLO NC(=O)C1(O)CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001194292746 1071701432 /nfs/dbraw/zinc/70/14/32/1071701432.db2.gz XFPFPYGXDBSPIK-UHFFFAOYSA-N 1 2 410.496 -0.278 20 0 HBADLO CO[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1O ZINC001194369188 1071701549 /nfs/dbraw/zinc/70/15/49/1071701549.db2.gz KTNOFNMIVPXDIR-HZPDHXFCSA-N 1 2 413.496 -0.985 20 0 HBADLO CO[C@@H]1C[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C[C@H]1O ZINC001194369188 1071701543 /nfs/dbraw/zinc/70/15/43/1071701543.db2.gz KTNOFNMIVPXDIR-HZPDHXFCSA-N 1 2 413.496 -0.985 20 0 HBADLO CCOc1c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cnn1C ZINC001194382680 1071702035 /nfs/dbraw/zinc/70/20/35/1071702035.db2.gz XGEPQNINQNSFFR-KBPBESRZSA-N 1 2 403.443 -0.641 20 0 HBADLO CCOc1c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cnn1C ZINC001194382680 1071702027 /nfs/dbraw/zinc/70/20/27/1071702027.db2.gz XGEPQNINQNSFFR-KBPBESRZSA-N 1 2 403.443 -0.641 20 0 HBADLO CCOc1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cnn1 ZINC001194464107 1071703048 /nfs/dbraw/zinc/70/30/48/1071703048.db2.gz QQXPFCOZNMZSJF-KBPBESRZSA-N 1 2 401.427 -0.584 20 0 HBADLO CCOc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cnn1 ZINC001194464107 1071703040 /nfs/dbraw/zinc/70/30/40/1071703040.db2.gz QQXPFCOZNMZSJF-KBPBESRZSA-N 1 2 401.427 -0.584 20 0 HBADLO CCn1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001194482400 1071702972 /nfs/dbraw/zinc/70/29/72/1071702972.db2.gz NYVJFZVQJCGKCO-GJZGRUSLSA-N 1 2 400.439 -0.591 20 0 HBADLO COCCn1cncc1C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001194645722 1071705056 /nfs/dbraw/zinc/70/50/56/1071705056.db2.gz QKUJHCHMZDSGSL-UHFFFAOYSA-N 1 2 415.498 -0.151 20 0 HBADLO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001194647269 1071705633 /nfs/dbraw/zinc/70/56/33/1071705633.db2.gz FPYFSYCXIZQJRA-HNNXBMFYSA-N 1 2 410.540 -0.098 20 0 HBADLO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001194647269 1071705629 /nfs/dbraw/zinc/70/56/29/1071705629.db2.gz FPYFSYCXIZQJRA-HNNXBMFYSA-N 1 2 410.540 -0.098 20 0 HBADLO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001194647270 1071705613 /nfs/dbraw/zinc/70/56/13/1071705613.db2.gz FPYFSYCXIZQJRA-OAHLLOKOSA-N 1 2 410.540 -0.098 20 0 HBADLO CN1CCN(c2cc(S(C)(=O)=O)ccc2C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001194647270 1071705607 /nfs/dbraw/zinc/70/56/07/1071705607.db2.gz FPYFSYCXIZQJRA-OAHLLOKOSA-N 1 2 410.540 -0.098 20 0 HBADLO COCCn1cncc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001194662375 1071706783 /nfs/dbraw/zinc/70/67/83/1071706783.db2.gz IPVCAWSQIZQIPT-KBPBESRZSA-N 1 2 403.443 -0.930 20 0 HBADLO COCCn1cncc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001194662375 1071706776 /nfs/dbraw/zinc/70/67/76/1071706776.db2.gz IPVCAWSQIZQIPT-KBPBESRZSA-N 1 2 403.443 -0.930 20 0 HBADLO COCCn1cnc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001194666738 1071706574 /nfs/dbraw/zinc/70/65/74/1071706574.db2.gz XRAMACQJMFHHEN-UHFFFAOYSA-N 1 2 415.498 -0.151 20 0 HBADLO COCCn1cnc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001194675816 1071706730 /nfs/dbraw/zinc/70/67/30/1071706730.db2.gz ZTQQQMPHJUUVDR-ZFWWWQNUSA-N 1 2 403.443 -0.930 20 0 HBADLO COCCn1cnc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001194675816 1071706724 /nfs/dbraw/zinc/70/67/24/1071706724.db2.gz ZTQQQMPHJUUVDR-ZFWWWQNUSA-N 1 2 403.443 -0.930 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cn(-c4cnccn4)cn3)C2)C1 ZINC001194716552 1071708195 /nfs/dbraw/zinc/70/81/95/1071708195.db2.gz PTQOFDGMBJBFJB-FQEVSTJZSA-N 1 2 413.482 -0.037 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cn(-c4cnccn4)cn3)C2)C1 ZINC001194716552 1071708189 /nfs/dbraw/zinc/70/81/89/1071708189.db2.gz PTQOFDGMBJBFJB-FQEVSTJZSA-N 1 2 413.482 -0.037 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cn(-c4cnccn4)cn3)C2)C1 ZINC001194716562 1071708324 /nfs/dbraw/zinc/70/83/24/1071708324.db2.gz PTQOFDGMBJBFJB-HXUWFJFHSA-N 1 2 413.482 -0.037 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cn(-c4cnccn4)cn3)C2)C1 ZINC001194716562 1071708320 /nfs/dbraw/zinc/70/83/20/1071708320.db2.gz PTQOFDGMBJBFJB-HXUWFJFHSA-N 1 2 413.482 -0.037 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cn(-c2cnccn2)cn1 ZINC001194734235 1071707695 /nfs/dbraw/zinc/70/76/95/1071707695.db2.gz UZJNMQPDXNJOOE-ZFWWWQNUSA-N 1 2 423.437 -0.797 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cn(-c2cnccn2)cn1 ZINC001194734235 1071707687 /nfs/dbraw/zinc/70/76/87/1071707687.db2.gz UZJNMQPDXNJOOE-ZFWWWQNUSA-N 1 2 423.437 -0.797 20 0 HBADLO COc1cc(C(=O)N2CCc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)n(C)n1 ZINC001194736399 1071708256 /nfs/dbraw/zinc/70/82/56/1071708256.db2.gz UIDFTAKEENOPCH-UHFFFAOYSA-N 1 2 401.471 -0.252 20 0 HBADLO CNS(=O)(=O)N1CCN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC001194772002 1071708793 /nfs/dbraw/zinc/70/87/93/1071708793.db2.gz LOWZJIDRUGHXSF-UHFFFAOYSA-N 1 2 401.558 -0.526 20 0 HBADLO C[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC001194843334 1071710768 /nfs/dbraw/zinc/71/07/68/1071710768.db2.gz ZXGKUTSTRXNCEM-UHFFFAOYSA-N 1 2 408.477 -0.751 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC001194850129 1071709827 /nfs/dbraw/zinc/70/98/27/1071709827.db2.gz MWERESCTYURMRZ-HNNXBMFYSA-N 1 2 410.452 -0.022 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 ZINC001194850129 1071709821 /nfs/dbraw/zinc/70/98/21/1071709821.db2.gz MWERESCTYURMRZ-HNNXBMFYSA-N 1 2 410.452 -0.022 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001194851188 1071709802 /nfs/dbraw/zinc/70/98/02/1071709802.db2.gz VDDJMJDTFKRDJJ-AWEZNQCLSA-N 1 2 415.516 -0.045 20 0 HBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001194851188 1071709797 /nfs/dbraw/zinc/70/97/97/1071709797.db2.gz VDDJMJDTFKRDJJ-AWEZNQCLSA-N 1 2 415.516 -0.045 20 0 HBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CC1 ZINC001194896542 1071711362 /nfs/dbraw/zinc/71/13/62/1071711362.db2.gz KOCXMSZLSUBANG-UHFFFAOYSA-N 1 2 404.533 -0.398 20 0 HBADLO CCOC(=O)C1CCN(S(=O)(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CC1 ZINC001194896542 1071711357 /nfs/dbraw/zinc/71/13/57/1071711357.db2.gz KOCXMSZLSUBANG-UHFFFAOYSA-N 1 2 404.533 -0.398 20 0 HBADLO 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Cc1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn(C)c1=O ZINC001195120854 1071714287 /nfs/dbraw/zinc/71/42/87/1071714287.db2.gz RNQSRSFNFSUNKH-GJZGRUSLSA-N 1 2 400.439 -0.766 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)[nH]c1=O ZINC001195145117 1071714714 /nfs/dbraw/zinc/71/47/14/1071714714.db2.gz SSLOZRZNRVBJNY-RYUDHWBXSA-N 1 2 406.830 -0.019 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)[nH]c1=O ZINC001195145117 1071714712 /nfs/dbraw/zinc/71/47/12/1071714712.db2.gz SSLOZRZNRVBJNY-RYUDHWBXSA-N 1 2 406.830 -0.019 20 0 HBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214170 1071715710 /nfs/dbraw/zinc/71/57/10/1071715710.db2.gz RAGSHECYWVAPHA-GXTWGEPZSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214170 1071715707 /nfs/dbraw/zinc/71/57/07/1071715707.db2.gz RAGSHECYWVAPHA-GXTWGEPZSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214171 1071715595 /nfs/dbraw/zinc/71/55/95/1071715595.db2.gz RAGSHECYWVAPHA-JSGCOSHPSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214171 1071715591 /nfs/dbraw/zinc/71/55/91/1071715591.db2.gz RAGSHECYWVAPHA-JSGCOSHPSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214172 1071715656 /nfs/dbraw/zinc/71/56/56/1071715656.db2.gz RAGSHECYWVAPHA-OCCSQVGLSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214172 1071715650 /nfs/dbraw/zinc/71/56/50/1071715650.db2.gz RAGSHECYWVAPHA-OCCSQVGLSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214173 1071715787 /nfs/dbraw/zinc/71/57/87/1071715787.db2.gz RAGSHECYWVAPHA-TZMCWYRMSA-N 1 2 401.485 -0.441 20 0 HBADLO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1S(=O)(=O)N(C)C ZINC001195214173 1071715780 /nfs/dbraw/zinc/71/57/80/1071715780.db2.gz RAGSHECYWVAPHA-TZMCWYRMSA-N 1 2 401.485 -0.441 20 0 HBADLO Cn1ncc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1C(F)F ZINC001195283232 1071716587 /nfs/dbraw/zinc/71/65/87/1071716587.db2.gz WBQOWFSCRQMSEX-RYUDHWBXSA-N 1 2 409.397 -0.102 20 0 HBADLO Cn1ncc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1C(F)F ZINC001195283232 1071716584 /nfs/dbraw/zinc/71/65/84/1071716584.db2.gz WBQOWFSCRQMSEX-RYUDHWBXSA-N 1 2 409.397 -0.102 20 0 HBADLO CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001195307712 1071716982 /nfs/dbraw/zinc/71/69/82/1071716982.db2.gz VQWRFEMHYPWXRX-KRWDZBQOSA-N 1 2 424.523 -0.466 20 0 HBADLO CC(=O)N[C@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001195307712 1071716980 /nfs/dbraw/zinc/71/69/80/1071716980.db2.gz VQWRFEMHYPWXRX-KRWDZBQOSA-N 1 2 424.523 -0.466 20 0 HBADLO CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001195307713 1071717067 /nfs/dbraw/zinc/71/70/67/1071717067.db2.gz VQWRFEMHYPWXRX-QGZVFWFLSA-N 1 2 424.523 -0.466 20 0 HBADLO CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001195307713 1071717065 /nfs/dbraw/zinc/71/70/65/1071717065.db2.gz VQWRFEMHYPWXRX-QGZVFWFLSA-N 1 2 424.523 -0.466 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnccc1C(N)=O)CC2 ZINC001195430951 1071718903 /nfs/dbraw/zinc/71/89/03/1071718903.db2.gz MLMZZNWAYUHDSC-UHFFFAOYSA-N 1 2 411.466 -0.500 20 0 HBADLO CCOC(=O)CNC(=S)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001195530780 1071720078 /nfs/dbraw/zinc/72/00/78/1071720078.db2.gz HWCDXWDXKFGYBA-UHFFFAOYSA-N 1 2 408.528 -0.397 20 0 HBADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195530841 1071720245 /nfs/dbraw/zinc/72/02/45/1071720245.db2.gz JPHZKGMWPKWEMD-INIZCTEOSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195530841 1071720240 /nfs/dbraw/zinc/72/02/40/1071720240.db2.gz JPHZKGMWPKWEMD-INIZCTEOSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195530842 1071720697 /nfs/dbraw/zinc/72/06/97/1071720697.db2.gz JPHZKGMWPKWEMD-MRXNPFEDSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC001195530842 1071720693 /nfs/dbraw/zinc/72/06/93/1071720693.db2.gz JPHZKGMWPKWEMD-MRXNPFEDSA-N 1 2 414.462 -0.026 20 0 HBADLO COC(=O)c1ccc(C[NH+]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 ZINC001195531391 1071720563 /nfs/dbraw/zinc/72/05/63/1071720563.db2.gz QQSDMFAWLMDNDZ-UHFFFAOYSA-N 1 2 400.435 -0.171 20 0 HBADLO C[C@@H]1[C@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C(=O)N1C ZINC001195547684 1071723234 /nfs/dbraw/zinc/72/32/34/1071723234.db2.gz QPBMAPHZFIVHRE-ILXRZTDVSA-N 1 2 414.514 -0.049 20 0 HBADLO C[C@@H]1[C@@H](C)N(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)[C@@H](C)C(=O)N1C ZINC001195547685 1071723315 /nfs/dbraw/zinc/72/33/15/1071723315.db2.gz QPBMAPHZFIVHRE-KFWWJZLASA-N 1 2 414.514 -0.049 20 0 HBADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001195547686 1071723283 /nfs/dbraw/zinc/72/32/83/1071723283.db2.gz QPBMAPHZFIVHRE-QLFBSQMISA-N 1 2 414.514 -0.049 20 0 HBADLO C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC001195547687 1071723190 /nfs/dbraw/zinc/72/31/90/1071723190.db2.gz QPBMAPHZFIVHRE-RBSFLKMASA-N 1 2 414.514 -0.049 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(F)c(CO)c(F)c1 ZINC001195637936 1071724635 /nfs/dbraw/zinc/72/46/35/1071724635.db2.gz VRVDZOHCOKRNSQ-HOTGVXAUSA-N 1 2 421.404 -0.002 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(F)c(CO)c(F)c1 ZINC001195637936 1071724629 /nfs/dbraw/zinc/72/46/29/1071724629.db2.gz VRVDZOHCOKRNSQ-HOTGVXAUSA-N 1 2 421.404 -0.002 20 0 HBADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195720377 1071726689 /nfs/dbraw/zinc/72/66/89/1071726689.db2.gz JTKRXNPKRRTAMD-SYMLIENRSA-N 1 2 415.512 -0.136 20 0 HBADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195720377 1071726682 /nfs/dbraw/zinc/72/66/82/1071726682.db2.gz JTKRXNPKRRTAMD-SYMLIENRSA-N 1 2 415.512 -0.136 20 0 HBADLO O=C(C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195720378 1071726608 /nfs/dbraw/zinc/72/66/08/1071726608.db2.gz JTKRXNPKRRTAMD-AOTXYTFASA-N 1 2 415.512 -0.136 20 0 HBADLO O=C(C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195720378 1071726600 /nfs/dbraw/zinc/72/66/00/1071726600.db2.gz JTKRXNPKRRTAMD-AOTXYTFASA-N 1 2 415.512 -0.136 20 0 HBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001195810101 1071727134 /nfs/dbraw/zinc/72/71/34/1071727134.db2.gz QUZOVZJERVZILO-BNOWGMLFSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001195810101 1071727129 /nfs/dbraw/zinc/72/71/29/1071727129.db2.gz QUZOVZJERVZILO-BNOWGMLFSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001195810104 1071727752 /nfs/dbraw/zinc/72/77/52/1071727752.db2.gz QUZOVZJERVZILO-IACUBPJLSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001195810104 1071727748 /nfs/dbraw/zinc/72/77/48/1071727748.db2.gz QUZOVZJERVZILO-IACUBPJLSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001195810106 1071727635 /nfs/dbraw/zinc/72/76/35/1071727635.db2.gz QUZOVZJERVZILO-MRVWCRGKSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)C1 ZINC001195810106 1071727629 /nfs/dbraw/zinc/72/76/29/1071727629.db2.gz QUZOVZJERVZILO-MRVWCRGKSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001195810107 1071727810 /nfs/dbraw/zinc/72/78/10/1071727810.db2.gz QUZOVZJERVZILO-YUTCNCBUSA-N 1 2 411.480 -0.533 20 0 HBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C1 ZINC001195810107 1071727801 /nfs/dbraw/zinc/72/78/01/1071727801.db2.gz QUZOVZJERVZILO-YUTCNCBUSA-N 1 2 411.480 -0.533 20 0 HBADLO COC[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001195810507 1071727583 /nfs/dbraw/zinc/72/75/83/1071727583.db2.gz SBNPTUFCPBPVGS-HZPDHXFCSA-N 1 2 413.496 -0.272 20 0 HBADLO COC[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001195810507 1071727576 /nfs/dbraw/zinc/72/75/76/1071727576.db2.gz SBNPTUFCPBPVGS-HZPDHXFCSA-N 1 2 413.496 -0.272 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@@H]3COCCO3)C2=O)cc1 ZINC001195927492 1071728621 /nfs/dbraw/zinc/72/86/21/1071728621.db2.gz HKNMIMNAJOSCBV-BEFAXECRSA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C[C@@H]3COCCO3)C2=O)cc1 ZINC001195927492 1071728602 /nfs/dbraw/zinc/72/86/02/1071728602.db2.gz HKNMIMNAJOSCBV-BEFAXECRSA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@@H]3COCCO3)C2=O)cc1 ZINC001195927507 1071728467 /nfs/dbraw/zinc/72/84/67/1071728467.db2.gz HKNMIMNAJOSCBV-DNVCBOLYSA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C[C@@H]3COCCO3)C2=O)cc1 ZINC001195927507 1071728462 /nfs/dbraw/zinc/72/84/62/1071728462.db2.gz HKNMIMNAJOSCBV-DNVCBOLYSA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@H]3COCCO3)C2=O)cc1 ZINC001195927509 1071729327 /nfs/dbraw/zinc/72/93/27/1071729327.db2.gz HKNMIMNAJOSCBV-HNAYVOBHSA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C[C@H]3COCCO3)C2=O)cc1 ZINC001195927509 1071729323 /nfs/dbraw/zinc/72/93/23/1071729323.db2.gz HKNMIMNAJOSCBV-HNAYVOBHSA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@H]3COCCO3)C2=O)cc1 ZINC001195927511 1071729161 /nfs/dbraw/zinc/72/91/61/1071729161.db2.gz HKNMIMNAJOSCBV-KXBFYZLASA-N 1 2 406.439 -0.159 20 0 HBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)C[N@H+](C)C[C@H]3COCCO3)C2=O)cc1 ZINC001195927511 1071729149 /nfs/dbraw/zinc/72/91/49/1071729149.db2.gz HKNMIMNAJOSCBV-KXBFYZLASA-N 1 2 406.439 -0.159 20 0 HBADLO CCOC(=O)CS(=O)(=O)N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001195950262 1071730117 /nfs/dbraw/zinc/73/01/17/1071730117.db2.gz AOOSSZIXEYGKHN-GOSISDBHSA-N 1 2 413.496 -0.122 20 0 HBADLO CCOC(=O)CS(=O)(=O)N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001195950262 1071730109 /nfs/dbraw/zinc/73/01/09/1071730109.db2.gz AOOSSZIXEYGKHN-GOSISDBHSA-N 1 2 413.496 -0.122 20 0 HBADLO CCOC(=O)CS(=O)(=O)N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001195950263 1071730271 /nfs/dbraw/zinc/73/02/71/1071730271.db2.gz AOOSSZIXEYGKHN-SFHVURJKSA-N 1 2 413.496 -0.122 20 0 HBADLO CCOC(=O)CS(=O)(=O)N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001195950263 1071730267 /nfs/dbraw/zinc/73/02/67/1071730267.db2.gz AOOSSZIXEYGKHN-SFHVURJKSA-N 1 2 413.496 -0.122 20 0 HBADLO CCOC(=O)CS(=O)(=O)N1CCc2c(n(C)nc2C(=O)N2CC[NH+](C)CC2)C1 ZINC001195950850 1071730616 /nfs/dbraw/zinc/73/06/16/1071730616.db2.gz OXWABVAJUNOUMN-UHFFFAOYSA-N 1 2 413.500 -0.941 20 0 HBADLO COC(OC)C(=O)N1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001195978233 1071729746 /nfs/dbraw/zinc/72/97/46/1071729746.db2.gz LEEDSAIQDFVZEE-AWEZNQCLSA-N 1 2 421.560 -0.249 20 0 HBADLO COC(OC)C(=O)N1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC001195978234 1071729714 /nfs/dbraw/zinc/72/97/14/1071729714.db2.gz LEEDSAIQDFVZEE-CQSZACIVSA-N 1 2 421.560 -0.249 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1c[nH]c(=S)[nH]c1=O)CC2 ZINC001196013992 1071731529 /nfs/dbraw/zinc/73/15/29/1071731529.db2.gz OBDGIFXEGKRVIT-UHFFFAOYSA-N 1 2 417.495 -0.210 20 0 HBADLO COC(=O)c1cc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)cc(N(C)S(C)(=O)=O)c1 ZINC001196110248 1071732850 /nfs/dbraw/zinc/73/28/50/1071732850.db2.gz BKKVJCMFMNZOBC-CQSZACIVSA-N 1 2 410.452 -0.075 20 0 HBADLO COC(=O)c1cc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)cc(N(C)S(C)(=O)=O)c1 ZINC001196110248 1071732842 /nfs/dbraw/zinc/73/28/42/1071732842.db2.gz BKKVJCMFMNZOBC-CQSZACIVSA-N 1 2 410.452 -0.075 20 0 HBADLO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1S(C)(=O)=O ZINC001196113168 1071734104 /nfs/dbraw/zinc/73/41/04/1071734104.db2.gz BJPLXTNDPRMEKR-GFCCVEGCSA-N 1 2 404.514 -0.372 20 0 HBADLO C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(S(N)(=O)=O)c2)CCN1S(C)(=O)=O ZINC001196113168 1071734096 /nfs/dbraw/zinc/73/40/96/1071734096.db2.gz BJPLXTNDPRMEKR-GFCCVEGCSA-N 1 2 404.514 -0.372 20 0 HBADLO COC(=O)c1cc(C(=O)NCC[NH+]2CC3(COC3)C2)cc(N(C)S(C)(=O)=O)c1 ZINC001196119202 1071734315 /nfs/dbraw/zinc/73/43/15/1071734315.db2.gz JAGUPOITOIKCOL-UHFFFAOYSA-N 1 2 411.480 -0.069 20 0 HBADLO Cc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@@H]32)cc1I ZINC001196140460 1071733690 /nfs/dbraw/zinc/73/36/90/1071733690.db2.gz VOMKJMKQUCUKEV-GRYCIOLGSA-N 1 2 403.224 -0.562 20 0 HBADLO Cc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@@H]32)cc1I ZINC001196140465 1071733809 /nfs/dbraw/zinc/73/38/09/1071733809.db2.gz VOMKJMKQUCUKEV-SDDRHHMPSA-N 1 2 403.224 -0.562 20 0 HBADLO Cc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@@H]3NCN[C@H]32)cc1I ZINC001196140467 1071733658 /nfs/dbraw/zinc/73/36/58/1071733658.db2.gz VOMKJMKQUCUKEV-SRVKXCTJSA-N 1 2 403.224 -0.562 20 0 HBADLO Cc1cc(O)c(C(=O)N2CN[C@H]([NH3+])[C@H]3NCN[C@H]32)cc1I ZINC001196140470 1071733770 /nfs/dbraw/zinc/73/37/70/1071733770.db2.gz VOMKJMKQUCUKEV-WOPDTQHZSA-N 1 2 403.224 -0.562 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cncc(=O)[nH]1)C2 ZINC001196157182 1071735221 /nfs/dbraw/zinc/73/52/21/1071735221.db2.gz VCPDWRNWOWQQGR-AWEZNQCLSA-N 1 2 402.455 -0.408 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1cncc(=O)[nH]1)C2 ZINC001196157183 1071735144 /nfs/dbraw/zinc/73/51/44/1071735144.db2.gz VCPDWRNWOWQQGR-CQSZACIVSA-N 1 2 402.455 -0.408 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(Cl)[nH]c(=O)c1 ZINC001196190357 1071734620 /nfs/dbraw/zinc/73/46/20/1071734620.db2.gz BUODFHXQUZTYTO-RYUDHWBXSA-N 1 2 406.830 -0.019 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(Cl)[nH]c(=O)c1 ZINC001196190357 1071734615 /nfs/dbraw/zinc/73/46/15/1071734615.db2.gz BUODFHXQUZTYTO-RYUDHWBXSA-N 1 2 406.830 -0.019 20 0 HBADLO NC(=O)c1cc(=O)cc(C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)o1 ZINC001196196189 1071736145 /nfs/dbraw/zinc/73/61/45/1071736145.db2.gz XVORAPGPUKYSEF-UHFFFAOYSA-N 1 2 410.390 -0.414 20 0 HBADLO CNC(=O)NC[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC001196208264 1071736614 /nfs/dbraw/zinc/73/66/14/1071736614.db2.gz NCQPOIUELHRANV-IBGZPJMESA-N 1 2 419.526 -0.031 20 0 HBADLO CNC(=O)NC[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CCO1 ZINC001196208266 1071736537 /nfs/dbraw/zinc/73/65/37/1071736537.db2.gz NCQPOIUELHRANV-LJQANCHMSA-N 1 2 419.526 -0.031 20 0 HBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)c1snnc1CO)C2 ZINC001196354931 1071738125 /nfs/dbraw/zinc/73/81/25/1071738125.db2.gz POGNCFYZGOCQLM-CYBMUJFWSA-N 1 2 422.511 -0.148 20 0 HBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)c1snnc1CO)C2 ZINC001196354937 1071738003 /nfs/dbraw/zinc/73/80/03/1071738003.db2.gz POGNCFYZGOCQLM-ZDUSSCGKSA-N 1 2 422.511 -0.148 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1snnc1CO)CC2 ZINC001196355717 1071738425 /nfs/dbraw/zinc/73/84/25/1071738425.db2.gz YTFMMJSTPIZQTQ-UHFFFAOYSA-N 1 2 405.484 -0.650 20 0 HBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1csc(CO)n1)CC2 ZINC001196371736 1071738573 /nfs/dbraw/zinc/73/85/73/1071738573.db2.gz NPOGFPSSGBRMSS-UHFFFAOYSA-N 1 2 404.496 -0.045 20 0 HBADLO Cc1nc(C(=O)N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c[nH]c1=O ZINC001196512329 1071739443 /nfs/dbraw/zinc/73/94/43/1071739443.db2.gz BHDNOBLVVKDOGZ-HNNXBMFYSA-N 1 2 416.482 -0.100 20 0 HBADLO Cc1nc(C(=O)N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c[nH]c1=O ZINC001196512330 1071739428 /nfs/dbraw/zinc/73/94/28/1071739428.db2.gz BHDNOBLVVKDOGZ-OAHLLOKOSA-N 1 2 416.482 -0.100 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622483 1071741036 /nfs/dbraw/zinc/74/10/36/1071741036.db2.gz HQSSQQVYOUPWPK-CHWSQXEVSA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622483 1071741030 /nfs/dbraw/zinc/74/10/30/1071741030.db2.gz HQSSQQVYOUPWPK-CHWSQXEVSA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622485 1071740934 /nfs/dbraw/zinc/74/09/34/1071740934.db2.gz HQSSQQVYOUPWPK-OLZOCXBDSA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622485 1071740931 /nfs/dbraw/zinc/74/09/31/1071740931.db2.gz HQSSQQVYOUPWPK-OLZOCXBDSA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622486 1071740914 /nfs/dbraw/zinc/74/09/14/1071740914.db2.gz HQSSQQVYOUPWPK-QWHCGFSZSA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622486 1071740910 /nfs/dbraw/zinc/74/09/10/1071740910.db2.gz HQSSQQVYOUPWPK-QWHCGFSZSA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622487 1071740960 /nfs/dbraw/zinc/74/09/60/1071740960.db2.gz HQSSQQVYOUPWPK-STQMWFEESA-N 1 2 418.541 -0.078 20 0 HBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1 ZINC001196622487 1071740957 /nfs/dbraw/zinc/74/09/57/1071740957.db2.gz HQSSQQVYOUPWPK-STQMWFEESA-N 1 2 418.541 -0.078 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 ZINC001196709009 1071741996 /nfs/dbraw/zinc/74/19/96/1071741996.db2.gz YBFNGFYTPUUIJR-IBGZPJMESA-N 1 2 424.523 -0.214 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 ZINC001196709009 1071741987 /nfs/dbraw/zinc/74/19/87/1071741987.db2.gz YBFNGFYTPUUIJR-IBGZPJMESA-N 1 2 424.523 -0.214 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 ZINC001196709010 1071741969 /nfs/dbraw/zinc/74/19/69/1071741969.db2.gz YBFNGFYTPUUIJR-LJQANCHMSA-N 1 2 424.523 -0.214 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(S(C)(=O)=O)cn3)C2)C1 ZINC001196709010 1071741965 /nfs/dbraw/zinc/74/19/65/1071741965.db2.gz YBFNGFYTPUUIJR-LJQANCHMSA-N 1 2 424.523 -0.214 20 0 HBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)NC2CCN(S(N)(=O)=O)CC2)CC1 ZINC001196749799 1071742580 /nfs/dbraw/zinc/74/25/80/1071742580.db2.gz MNUOFINNGORHJX-UHFFFAOYSA-N 1 2 424.527 -0.136 20 0 HBADLO CN1CCOC[C@@]1(CO)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001196750396 1071742639 /nfs/dbraw/zinc/74/26/39/1071742639.db2.gz VUYPHDPWFYKZGC-FQEVSTJZSA-N 1 2 405.499 -0.111 20 0 HBADLO CN1CCOC[C@]1(CO)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001196750397 1071742566 /nfs/dbraw/zinc/74/25/66/1071742566.db2.gz VUYPHDPWFYKZGC-HXUWFJFHSA-N 1 2 405.499 -0.111 20 0 HBADLO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001196798260 1071743175 /nfs/dbraw/zinc/74/31/75/1071743175.db2.gz JRRHSXIELYHTMZ-IBGZPJMESA-N 1 2 411.524 -0.032 20 0 HBADLO CC(=O)NCC(=O)N1CCC[N@H+](C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001196798260 1071743171 /nfs/dbraw/zinc/74/31/71/1071743171.db2.gz JRRHSXIELYHTMZ-IBGZPJMESA-N 1 2 411.524 -0.032 20 0 HBADLO CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001196798261 1071743044 /nfs/dbraw/zinc/74/30/44/1071743044.db2.gz JRRHSXIELYHTMZ-LJQANCHMSA-N 1 2 411.524 -0.032 20 0 HBADLO CC(=O)NCC(=O)N1CCC[N@H+](C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001196798261 1071743034 /nfs/dbraw/zinc/74/30/34/1071743034.db2.gz JRRHSXIELYHTMZ-LJQANCHMSA-N 1 2 411.524 -0.032 20 0 HBADLO COc1cc(CNC(=O)C[NH+]2CCC(NS(N)(=O)=O)CC2)cc(OC)c1OC ZINC001196799400 1071743010 /nfs/dbraw/zinc/74/30/10/1071743010.db2.gz TYPOXAFJIUVWHI-UHFFFAOYSA-N 1 2 416.500 -0.414 20 0 HBADLO CC(=O)NCC(=O)N1CCC[N@@H+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC001196799984 1071743162 /nfs/dbraw/zinc/74/31/62/1071743162.db2.gz ZHWUSEPLVJPJPA-UHFFFAOYSA-N 1 2 409.531 -0.434 20 0 HBADLO CC(=O)NCC(=O)N1CCC[N@H+](CC(=O)NCCCN2CCCCCC2=O)CC1 ZINC001196799984 1071743159 /nfs/dbraw/zinc/74/31/59/1071743159.db2.gz ZHWUSEPLVJPJPA-UHFFFAOYSA-N 1 2 409.531 -0.434 20 0 HBADLO CC(=O)Nc1c[nH]c(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001196893486 1071744398 /nfs/dbraw/zinc/74/43/98/1071744398.db2.gz ODMAEYLVPPXHGW-GJZGRUSLSA-N 1 2 401.427 -0.486 20 0 HBADLO CC(=O)Nc1c[nH]c(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001196893486 1071744392 /nfs/dbraw/zinc/74/43/92/1071744392.db2.gz ODMAEYLVPPXHGW-GJZGRUSLSA-N 1 2 401.427 -0.486 20 0 HBADLO COC(=O)CCCCS(=O)(=O)Nc1cc(N2CC[NH+](CCO)CC2)nc(C)n1 ZINC001196915002 1071744506 /nfs/dbraw/zinc/74/45/06/1071744506.db2.gz PNZNDADIBIJKDM-UHFFFAOYSA-N 1 2 415.516 -0.016 20 0 HBADLO COC(=O)CCCCS(=O)(=O)Nc1cc(N2CC[NH+](CCO)CC2)ncn1 ZINC001196922376 1071744031 /nfs/dbraw/zinc/74/40/31/1071744031.db2.gz JKILNUMDHXOZRA-UHFFFAOYSA-N 1 2 401.489 -0.324 20 0 HBADLO CC(C)(C)c1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)no1 ZINC001196997919 1071744948 /nfs/dbraw/zinc/74/49/48/1071744948.db2.gz JTNMGVNFYVFEHX-RYUDHWBXSA-N 1 2 403.443 -0.092 20 0 HBADLO CC(C)(C)c1nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)no1 ZINC001196997919 1071744943 /nfs/dbraw/zinc/74/49/43/1071744943.db2.gz JTNMGVNFYVFEHX-RYUDHWBXSA-N 1 2 403.443 -0.092 20 0 HBADLO COC(=O)c1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)ccn1 ZINC001197057218 1071745015 /nfs/dbraw/zinc/74/50/15/1071745015.db2.gz SJQWZJZFSQUQKE-ZFWWWQNUSA-N 1 2 414.422 -0.591 20 0 HBADLO COC(=O)c1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)ccn1 ZINC001197057218 1071745013 /nfs/dbraw/zinc/74/50/13/1071745013.db2.gz SJQWZJZFSQUQKE-ZFWWWQNUSA-N 1 2 414.422 -0.591 20 0 HBADLO NC(=O)C1([NH2+]CC(=O)NCCc2cccc3cccnc32)CCS(=O)(=O)CC1 ZINC001197124017 1071745454 /nfs/dbraw/zinc/74/54/54/1071745454.db2.gz AKYFJEJOWDUMBC-UHFFFAOYSA-N 1 2 404.492 -0.084 20 0 HBADLO NC(=O)C1([NH2+]CC(=O)NCc2cnn(-c3ccccc3)c2)CCS(=O)(=O)CC1 ZINC001197125425 1071746127 /nfs/dbraw/zinc/74/61/27/1071746127.db2.gz TUJZEZJFGJBDPC-UHFFFAOYSA-N 1 2 405.480 -0.489 20 0 HBADLO COc1ccnc(F)c1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197152472 1071745868 /nfs/dbraw/zinc/74/58/68/1071745868.db2.gz PNYWLHXATGAOEL-RYUDHWBXSA-N 1 2 404.402 -0.230 20 0 HBADLO COc1ccnc(F)c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197152472 1071745864 /nfs/dbraw/zinc/74/58/64/1071745864.db2.gz PNYWLHXATGAOEL-RYUDHWBXSA-N 1 2 404.402 -0.230 20 0 HBADLO Cn1c2ncn(CC[N@H+]3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC001197167880 1071746096 /nfs/dbraw/zinc/74/60/96/1071746096.db2.gz NEWVRRSLKOQKDT-HNNXBMFYSA-N 1 2 402.377 -0.423 20 0 HBADLO Cn1c2ncn(CC[N@@H+]3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC001197167880 1071746088 /nfs/dbraw/zinc/74/60/88/1071746088.db2.gz NEWVRRSLKOQKDT-HNNXBMFYSA-N 1 2 402.377 -0.423 20 0 HBADLO Cn1c2ncn(CC[N@H+]3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC001197167881 1071745993 /nfs/dbraw/zinc/74/59/93/1071745993.db2.gz NEWVRRSLKOQKDT-OAHLLOKOSA-N 1 2 402.377 -0.423 20 0 HBADLO Cn1c2ncn(CC[N@@H+]3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2c(=O)n(C)c1=O ZINC001197167881 1071745988 /nfs/dbraw/zinc/74/59/88/1071745988.db2.gz NEWVRRSLKOQKDT-OAHLLOKOSA-N 1 2 402.377 -0.423 20 0 HBADLO COC(=O)CNC(=S)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001197170399 1071746526 /nfs/dbraw/zinc/74/65/26/1071746526.db2.gz WEDPUEFWLIZZDU-AWEZNQCLSA-N 1 2 411.528 -0.284 20 0 HBADLO COC(=O)CNC(=S)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001197170400 1071746452 /nfs/dbraw/zinc/74/64/52/1071746452.db2.gz WEDPUEFWLIZZDU-CQSZACIVSA-N 1 2 411.528 -0.284 20 0 HBADLO COc1cc(O)ccc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197192865 1071746462 /nfs/dbraw/zinc/74/64/62/1071746462.db2.gz UROREFFMAZRCMF-GJZGRUSLSA-N 1 2 401.423 -0.059 20 0 HBADLO COc1cc(O)ccc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001197192865 1071746459 /nfs/dbraw/zinc/74/64/59/1071746459.db2.gz UROREFFMAZRCMF-GJZGRUSLSA-N 1 2 401.423 -0.059 20 0 HBADLO NC(=O)COc1ccc(CNC(=O)CN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001197194540 1071746504 /nfs/dbraw/zinc/74/65/04/1071746504.db2.gz QGNICHVEUDDRDN-UHFFFAOYSA-N 1 2 412.494 -0.183 20 0 HBADLO NS(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](CCc3cnccn3)CC2)cc1 ZINC001197194896 1071746473 /nfs/dbraw/zinc/74/64/73/1071746473.db2.gz XEMFAQONZURKGQ-UHFFFAOYSA-N 1 2 404.496 -0.077 20 0 HBADLO COC(=O)c1cc(S(=O)(=O)N2CCN(CC[NH+]3CCOCC3)CC2)ccc1O ZINC001197226203 1071747810 /nfs/dbraw/zinc/74/78/10/1071747810.db2.gz LCBPNQUQLXBHBL-UHFFFAOYSA-N 1 2 413.496 -0.183 20 0 HBADLO Cn1nccc1C1(O)CC[NH+](CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 ZINC001197459891 1071749367 /nfs/dbraw/zinc/74/93/67/1071749367.db2.gz SWSYDKRZBHATBN-UHFFFAOYSA-N 1 2 401.467 -0.116 20 0 HBADLO COCCn1cc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cn1 ZINC001197471964 1071749298 /nfs/dbraw/zinc/74/92/98/1071749298.db2.gz TXTVFGQGLYHKLL-UHFFFAOYSA-N 1 2 415.498 -0.151 20 0 HBADLO COCCn1cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001197481330 1071749500 /nfs/dbraw/zinc/74/95/00/1071749500.db2.gz GQWUYWSDOLNQKZ-GJZGRUSLSA-N 1 2 403.443 -0.930 20 0 HBADLO COCCn1cc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001197481330 1071749493 /nfs/dbraw/zinc/74/94/93/1071749493.db2.gz GQWUYWSDOLNQKZ-GJZGRUSLSA-N 1 2 403.443 -0.930 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cnn(-c2cccnc2)c1 ZINC001197585329 1071750012 /nfs/dbraw/zinc/75/00/12/1071750012.db2.gz FKGKTCMUDCJHNS-IRXDYDNUSA-N 1 2 422.449 -0.192 20 0 HBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cnn(-c2cccnc2)c1 ZINC001197585329 1071750008 /nfs/dbraw/zinc/75/00/08/1071750008.db2.gz FKGKTCMUDCJHNS-IRXDYDNUSA-N 1 2 422.449 -0.192 20 0 HBADLO COc1ccc(NC(=O)C[NH+]2CCC(CO)(CO)CC2)cc1S(=O)(=O)N(C)C ZINC001197600792 1071750032 /nfs/dbraw/zinc/75/00/32/1071750032.db2.gz FAFPVKHLKPXFOA-UHFFFAOYSA-N 1 2 415.512 -0.049 20 0 HBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611060 1071749989 /nfs/dbraw/zinc/74/99/89/1071749989.db2.gz NMOKUKRDPVEWKO-HZSPNIEDSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611060 1071749986 /nfs/dbraw/zinc/74/99/86/1071749986.db2.gz NMOKUKRDPVEWKO-HZSPNIEDSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611061 1071750135 /nfs/dbraw/zinc/75/01/35/1071750135.db2.gz NMOKUKRDPVEWKO-MCIONIFRSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611061 1071750125 /nfs/dbraw/zinc/75/01/25/1071750125.db2.gz NMOKUKRDPVEWKO-MCIONIFRSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611062 1071750090 /nfs/dbraw/zinc/75/00/90/1071750090.db2.gz NMOKUKRDPVEWKO-MGPQQGTHSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611062 1071750085 /nfs/dbraw/zinc/75/00/85/1071750085.db2.gz NMOKUKRDPVEWKO-MGPQQGTHSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@H+]3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611063 1071749919 /nfs/dbraw/zinc/74/99/19/1071749919.db2.gz NMOKUKRDPVEWKO-RDBSUJKOSA-N 1 2 418.498 -0.408 20 0 HBADLO Cn1c2[nH]c(C[N@@H+]3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)nc2c(=O)n(C)c1=O ZINC001197611063 1071749911 /nfs/dbraw/zinc/74/99/11/1071749911.db2.gz NMOKUKRDPVEWKO-RDBSUJKOSA-N 1 2 418.498 -0.408 20 0 HBADLO COCCn1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cnc1=O ZINC001197701785 1071750921 /nfs/dbraw/zinc/75/09/21/1071750921.db2.gz AVYBNWJSGFLKRT-JXFKEZNVSA-N 1 2 422.482 -0.242 20 0 HBADLO COCCn1cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cnc1=O ZINC001197701787 1071750929 /nfs/dbraw/zinc/75/09/29/1071750929.db2.gz AVYBNWJSGFLKRT-OXJNMPFZSA-N 1 2 422.482 -0.242 20 0 HBADLO COCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)cnc1=O ZINC001197701789 1071751052 /nfs/dbraw/zinc/75/10/52/1071751052.db2.gz AVYBNWJSGFLKRT-OXQOHEQNSA-N 1 2 422.482 -0.242 20 0 HBADLO COCCn1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)cnc1=O ZINC001197701791 1071750872 /nfs/dbraw/zinc/75/08/72/1071750872.db2.gz AVYBNWJSGFLKRT-UZLBHIALSA-N 1 2 422.482 -0.242 20 0 HBADLO COc1cnc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(F)c1 ZINC001197820289 1071753661 /nfs/dbraw/zinc/75/36/61/1071753661.db2.gz UKMLQWJDSQNMTO-KBPBESRZSA-N 1 2 404.402 -0.230 20 0 HBADLO COc1cnc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(F)c1 ZINC001197820289 1071753655 /nfs/dbraw/zinc/75/36/55/1071753655.db2.gz UKMLQWJDSQNMTO-KBPBESRZSA-N 1 2 404.402 -0.230 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnn(-c4ncccn4)c3)C2)C1 ZINC001197829799 1071753584 /nfs/dbraw/zinc/75/35/84/1071753584.db2.gz MXWJRUPPJNRBGV-FQEVSTJZSA-N 1 2 413.482 -0.037 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cnn(-c4ncccn4)c3)C2)C1 ZINC001197829799 1071753579 /nfs/dbraw/zinc/75/35/79/1071753579.db2.gz MXWJRUPPJNRBGV-FQEVSTJZSA-N 1 2 413.482 -0.037 20 0 HBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cnn(-c4ncccn4)c3)C2)C1 ZINC001197829800 1071753709 /nfs/dbraw/zinc/75/37/09/1071753709.db2.gz MXWJRUPPJNRBGV-HXUWFJFHSA-N 1 2 413.482 -0.037 20 0 HBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cnn(-c4ncccn4)c3)C2)C1 ZINC001197829800 1071753706 /nfs/dbraw/zinc/75/37/06/1071753706.db2.gz MXWJRUPPJNRBGV-HXUWFJFHSA-N 1 2 413.482 -0.037 20 0 HBADLO 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