smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134982 883191233 /nfs/dbraw/zinc/19/12/33/883191233.db2.gz RUGMDCMQXYTZQT-RBBKRZOGSA-N 2 3 381.564 3.800 20 0 GHADHP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134982 883191237 /nfs/dbraw/zinc/19/12/37/883191237.db2.gz RUGMDCMQXYTZQT-RBBKRZOGSA-N 2 3 381.564 3.800 20 0 GHADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517916 922252494 /nfs/dbraw/zinc/25/24/94/922252494.db2.gz ORVWLKJEGRLQDQ-HLRQEUIKSA-N 2 3 378.564 3.800 20 0 GHADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517916 922252513 /nfs/dbraw/zinc/25/25/13/922252513.db2.gz ORVWLKJEGRLQDQ-HLRQEUIKSA-N 2 3 378.564 3.800 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227744 1069452170 /nfs/dbraw/zinc/45/21/70/1069452170.db2.gz CMNIOCCQKWNKPP-UGKGYDQZSA-N 2 3 387.593 3.861 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227744 1069452171 /nfs/dbraw/zinc/45/21/71/1069452171.db2.gz CMNIOCCQKWNKPP-UGKGYDQZSA-N 2 3 387.593 3.861 20 0 GHADHP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N[C@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246142919 1037213013 /nfs/dbraw/zinc/21/30/13/1037213013.db2.gz CKGUSTOLKVGDTG-RECJUBGPSA-N 2 3 375.560 3.807 20 0 GHADHP Brc1ccc(C2(N[C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246186184 1037227413 /nfs/dbraw/zinc/22/74/13/1037227413.db2.gz XGSCRFXMTHNZKI-RBUKOAKNSA-N 2 3 392.385 3.540 20 0 GHADHP Fc1ccc([C@H](N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409573 1037366302 /nfs/dbraw/zinc/36/63/02/1037366302.db2.gz XRVYJRXQMHQUMA-SMIHKQSGSA-N 2 3 381.539 3.819 20 0 GHADHP Fc1ccc([C@H]([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409573 1037366315 /nfs/dbraw/zinc/36/63/15/1037366315.db2.gz XRVYJRXQMHQUMA-SMIHKQSGSA-N 2 3 381.539 3.819 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246429830 1037389987 /nfs/dbraw/zinc/38/99/87/1037389987.db2.gz RLXKCHXALYBDPZ-VQTJNVASSA-N 2 3 395.513 3.882 20 0 GHADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246430751 1037391141 /nfs/dbraw/zinc/39/11/41/1037391141.db2.gz RLHWRQITOIBRQZ-HGKCTWBKSA-N 2 3 383.502 3.736 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246434661 1037395554 /nfs/dbraw/zinc/39/55/54/1037395554.db2.gz HLJDDFAKTDWJJL-PMACEKPBSA-N 2 3 395.513 3.882 20 0 GHADHP C[NH2+]C1CCC([N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CCNCC2)CC1 ZINC001246966509 1037788962 /nfs/dbraw/zinc/78/89/62/1037788962.db2.gz YGDKICGJFIFZJX-UHFFFAOYSA-N 2 3 387.465 3.929 20 0 GHADHP C[NH2+]C1CCC([N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CCNCC2)CC1 ZINC001246966509 1037788978 /nfs/dbraw/zinc/78/89/78/1037788978.db2.gz YGDKICGJFIFZJX-UHFFFAOYSA-N 2 3 387.465 3.929 20 0 GHADHP C[NH2+]C1CCC(N(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001246966509 1037788993 /nfs/dbraw/zinc/78/89/93/1037788993.db2.gz YGDKICGJFIFZJX-UHFFFAOYSA-N 2 3 387.465 3.929 20 0 GHADHP CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109268 /nfs/dbraw/zinc/10/92/68/1041109268.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 3 375.560 3.943 20 0 GHADHP CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C[C@@H]21 ZINC001235660767 1041109276 /nfs/dbraw/zinc/10/92/76/1041109276.db2.gz MPOSOGDUVPJORR-SDHOMARFSA-N 2 3 375.560 3.943 20 0 GHADHP c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640301 /nfs/dbraw/zinc/64/03/01/1041640301.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 2 3 375.560 3.820 20 0 GHADHP c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242048 1041640305 /nfs/dbraw/zinc/64/03/05/1041640305.db2.gz VLVXPKLVFWYVKN-VWLOTQADSA-N 2 3 375.560 3.820 20 0 GHADHP Cc1nc(C2CC[NH2+]CC2)sc1CN(Cc1ccccn1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236672750 1041820649 /nfs/dbraw/zinc/82/06/49/1041820649.db2.gz UJYWKJARIBHOMV-KESTWPANSA-N 2 3 399.608 3.586 20 0 GHADHP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000849103331 1067729803 /nfs/dbraw/zinc/72/98/03/1067729803.db2.gz NZDUJRNOLJCEOR-UHFFFAOYSA-N 2 3 399.627 3.523 20 0 GHADHP CC1CC[NH+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC000655698904 837689647 /nfs/dbraw/zinc/68/96/47/837689647.db2.gz YOLZSNSMFUMIMH-XMMPIXPASA-N 2 3 385.596 3.652 20 0 GHADHP C[N@H+](CCCN1CCCCC1)[C@@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000162053162 837102170 /nfs/dbraw/zinc/10/21/70/837102170.db2.gz BOEBEWVOHHGXIQ-HSZRJFAPSA-N 2 3 378.649 3.525 20 0 GHADHP C[N@@H+](CCCN1CCCCC1)[C@@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000162053162 837102174 /nfs/dbraw/zinc/10/21/74/837102174.db2.gz BOEBEWVOHHGXIQ-HSZRJFAPSA-N 2 3 378.649 3.525 20 0 GHADHP C[C@@H]1CN(CCCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000559919971 846998904 /nfs/dbraw/zinc/99/89/04/846998904.db2.gz RUAIEOODHSMIDI-WXYTXABISA-N 2 3 387.612 3.909 20 0 GHADHP C[C@@H]1CN(CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000559919971 846998917 /nfs/dbraw/zinc/99/89/17/846998917.db2.gz RUAIEOODHSMIDI-WXYTXABISA-N 2 3 387.612 3.909 20 0 GHADHP CCN1CCC([NH+](C)Cc2cccc(C[N@@H+](C)C3CCN(CC)CC3)c2)CC1 ZINC000489455190 852349840 /nfs/dbraw/zinc/34/98/40/852349840.db2.gz HIMDXOXTHPAXLU-UHFFFAOYSA-N 2 3 386.628 3.519 20 0 GHADHP CCN1CCC([NH+](C)Cc2cccc(C[N@H+](C)C3CCN(CC)CC3)c2)CC1 ZINC000489455190 852349846 /nfs/dbraw/zinc/34/98/46/852349846.db2.gz HIMDXOXTHPAXLU-UHFFFAOYSA-N 2 3 386.628 3.519 20 0 GHADHP C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000902506281 922247095 /nfs/dbraw/zinc/24/70/95/922247095.db2.gz XTTJGZITOISEEA-JKFKMHIGSA-N 2 3 395.547 3.534 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)cc1 ZINC001204269205 1032711733 /nfs/dbraw/zinc/71/17/33/1032711733.db2.gz WQXVBZVKZNUXPF-DNQXCXABSA-N 2 3 393.575 3.581 20 0 GHADHP COc1ccc([C@@H](CN)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753484 1020358207 /nfs/dbraw/zinc/35/82/07/1020358207.db2.gz XXUPYBPVMCEASQ-QHCPKHFHSA-N 2 3 381.564 3.582 20 0 GHADHP COc1ccc([C@@H](CN)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753484 1020358218 /nfs/dbraw/zinc/35/82/18/1020358218.db2.gz XXUPYBPVMCEASQ-QHCPKHFHSA-N 2 3 381.564 3.582 20 0 GHADHP C[C@@H]1CC([NH2+]Cc2ccccc2N2CC[NH2+]CC2)C[C@@H](C)N1Cc1ccccc1 ZINC001246315051 1037291575 /nfs/dbraw/zinc/29/15/75/1037291575.db2.gz FVGGSDRLQYOREZ-NHCUHLMSSA-N 2 3 392.591 3.627 20 0 GHADHP FC(F)(F)c1ccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246420330 1037376095 /nfs/dbraw/zinc/37/60/95/1037376095.db2.gz VUTIAHQOVUGHLN-SFHVURJKSA-N 2 3 381.486 3.591 20 0 GHADHP CC(C)[C@H]1C[C@@H](NCC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246421277 1037377526 /nfs/dbraw/zinc/37/75/26/1037377526.db2.gz AZCAPFQRFMZLRI-QFBILLFUSA-N 2 3 383.502 3.693 20 0 GHADHP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375761916 834670241 /nfs/dbraw/zinc/67/02/41/834670241.db2.gz IPQAUCRXUPXEHE-LWSSLDFYSA-N 2 3 390.660 3.664 20 0 GHADHP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCCCCC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375761916 834670245 /nfs/dbraw/zinc/67/02/45/834670245.db2.gz IPQAUCRXUPXEHE-LWSSLDFYSA-N 2 3 390.660 3.664 20 0 GHADHP C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311799 846041041 /nfs/dbraw/zinc/04/10/41/846041041.db2.gz VNAZPQSWNVFTAO-IBGZPJMESA-N 2 3 375.520 3.789 20 0 GHADHP C[C@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311799 846041047 /nfs/dbraw/zinc/04/10/47/846041047.db2.gz VNAZPQSWNVFTAO-IBGZPJMESA-N 2 3 375.520 3.789 20 0 GHADHP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)c1 ZINC001172117710 905372227 /nfs/dbraw/zinc/37/22/27/905372227.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 2 3 397.607 3.998 20 0 GHADHP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)c1 ZINC001172117710 905372245 /nfs/dbraw/zinc/37/22/45/905372245.db2.gz REXZIOKIPILNQA-NUNAXRQHSA-N 2 3 397.607 3.998 20 0 GHADHP C[C@@H](CCN1CCC(C)([NH+]2CCCC2)CC1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982105 910765849 /nfs/dbraw/zinc/76/58/49/910765849.db2.gz FXPWVXIVDJBYBE-QFIPXVFZSA-N 2 3 390.660 3.666 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136185 1037210476 /nfs/dbraw/zinc/21/04/76/1037210476.db2.gz COZAEQBGDLLAPK-LGVFNWMJSA-N 2 3 393.550 3.845 20 0 GHADHP C[C@@H]1C[C@@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441569 1037404398 /nfs/dbraw/zinc/40/43/98/1037404398.db2.gz JCKRQVGUIOWDDU-AXUOBQJMSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@@H]1C[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441569 1037404409 /nfs/dbraw/zinc/40/44/09/1037404409.db2.gz JCKRQVGUIOWDDU-AXUOBQJMSA-N 2 3 380.374 3.662 20 0 GHADHP C[NH+]1CCC(CN(Cc2ccc(C(F)(F)F)c(F)c2)C2CC[NH2+]CC2)CC1 ZINC001236492423 1041738202 /nfs/dbraw/zinc/73/82/02/1041738202.db2.gz UEGAZHPOQBHKNA-UHFFFAOYSA-N 2 3 387.465 3.740 20 0 GHADHP CN(c1ccccc1CNCc1ccc(C[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000132786617 881718582 /nfs/dbraw/zinc/71/85/82/881718582.db2.gz KJTYVOHQRUFRDE-UHFFFAOYSA-N 2 3 380.580 3.568 20 0 GHADHP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006936 /nfs/dbraw/zinc/00/69/36/884006936.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 2 3 393.575 3.568 20 0 GHADHP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006950 /nfs/dbraw/zinc/00/69/50/884006950.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006963 /nfs/dbraw/zinc/00/69/63/884006963.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@H]1c1ccccc1 ZINC000556170841 884006972 /nfs/dbraw/zinc/00/69/72/884006972.db2.gz OMPBIOFJTOIEEC-GVAUOCQISA-N 2 3 393.575 3.568 20 0 GHADHP CC(C)([NH3+])c1ccccc1-n1cc(CCN2CCC([NH3+])CC2)c2ccccc21 ZINC001170529136 885601095 /nfs/dbraw/zinc/60/10/95/885601095.db2.gz WBMYQKRLJHAMOQ-UHFFFAOYSA-N 2 3 376.548 3.790 20 0 GHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517918 922251918 /nfs/dbraw/zinc/25/19/18/922251918.db2.gz ORVWLKJEGRLQDQ-XGARDCMYSA-N 2 3 378.564 3.800 20 0 GHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517918 922251929 /nfs/dbraw/zinc/25/19/29/922251929.db2.gz ORVWLKJEGRLQDQ-XGARDCMYSA-N 2 3 378.564 3.800 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001204269891 1032713699 /nfs/dbraw/zinc/71/36/99/1032713699.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 2 3 395.591 3.971 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001204269891 1032713706 /nfs/dbraw/zinc/71/37/06/1032713706.db2.gz LRVOKKWWHJZSAI-DEOSSOPVSA-N 2 3 395.591 3.971 20 0 GHADHP Cc1nc2ccc(NC[C@@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2[nH]1 ZINC001162935289 1025972199 /nfs/dbraw/zinc/97/21/99/1025972199.db2.gz QZYPHYRFYHOLLI-HXUWFJFHSA-N 2 3 389.547 3.785 20 0 GHADHP Cc1nc2ccc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2[nH]1 ZINC001162935289 1025972200 /nfs/dbraw/zinc/97/22/00/1025972200.db2.gz QZYPHYRFYHOLLI-HXUWFJFHSA-N 2 3 389.547 3.785 20 0 GHADHP C[NH+]1CCC(CC[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574640 1030204667 /nfs/dbraw/zinc/20/46/67/1030204667.db2.gz IMXJBPYZYMRHRV-QHCPKHFHSA-N 2 3 385.596 3.522 20 0 GHADHP C[NH+]1CCC(CC[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574640 1030204683 /nfs/dbraw/zinc/20/46/83/1030204683.db2.gz IMXJBPYZYMRHRV-QHCPKHFHSA-N 2 3 385.596 3.522 20 0 GHADHP C[NH+]1CCC(CC[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574638 1030206110 /nfs/dbraw/zinc/20/61/10/1030206110.db2.gz IMXJBPYZYMRHRV-HSZRJFAPSA-N 2 3 385.596 3.522 20 0 GHADHP C[NH+]1CCC(CC[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574638 1030206120 /nfs/dbraw/zinc/20/61/20/1030206120.db2.gz IMXJBPYZYMRHRV-HSZRJFAPSA-N 2 3 385.596 3.522 20 0 GHADHP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123236 1037202738 /nfs/dbraw/zinc/20/27/38/1037202738.db2.gz UKHAGUDLSRAFPN-QNWVGRARSA-N 2 3 387.612 3.672 20 0 GHADHP COc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126385 1037206341 /nfs/dbraw/zinc/20/63/41/1037206341.db2.gz LIQHJLCWJQSRMW-YGOYIFOWSA-N 2 3 391.559 3.844 20 0 GHADHP Clc1ccc(C2(C[NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246341291 1037303780 /nfs/dbraw/zinc/30/37/80/1037303780.db2.gz OYNGXSXGYVDWAR-XZOQPEGZSA-N 2 3 397.994 3.914 20 0 GHADHP Fc1cccc(CC2(C[NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379085 1037337312 /nfs/dbraw/zinc/33/73/12/1037337312.db2.gz KSERKDVCOZFNJE-RPWUZVMVSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1ccccc1C1(N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246454009 1037414620 /nfs/dbraw/zinc/41/46/20/1037414620.db2.gz ZJCNIKHWZUDAFF-QFBILLFUSA-N 2 3 381.486 3.796 20 0 GHADHP c1ccc(CC[NH+]2CCC(N3Cc4ccccc4C4(CC[NH2+]CC4)C3)CC2)cc1 ZINC001246858291 1037680682 /nfs/dbraw/zinc/68/06/82/1037680682.db2.gz DZKDJMJVQRXZAJ-UHFFFAOYSA-N 2 3 389.587 3.831 20 0 GHADHP Fc1ccc(CN(C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246957082 1037768789 /nfs/dbraw/zinc/76/87/89/1037768789.db2.gz YGMICVMGZZZVDG-UHFFFAOYSA-N 2 3 377.523 3.831 20 0 GHADHP Fc1ccc(C[N@H+](C2CCNCC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246957082 1037768813 /nfs/dbraw/zinc/76/88/13/1037768813.db2.gz YGMICVMGZZZVDG-UHFFFAOYSA-N 2 3 377.523 3.831 20 0 GHADHP Fc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246957082 1037768834 /nfs/dbraw/zinc/76/88/34/1037768834.db2.gz YGMICVMGZZZVDG-UHFFFAOYSA-N 2 3 377.523 3.831 20 0 GHADHP CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001235481863 1040955932 /nfs/dbraw/zinc/95/59/32/1040955932.db2.gz GUAYRADJNHOKFD-QHCPKHFHSA-N 2 3 379.548 3.802 20 0 GHADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656539833 1043217662 /nfs/dbraw/zinc/21/76/62/1043217662.db2.gz WOYAAVGWARRWBB-OYDLWJJNSA-N 2 3 376.548 3.551 20 0 GHADHP CC1CC[NH+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC000655698867 837689576 /nfs/dbraw/zinc/68/95/76/837689576.db2.gz YOLZSNSMFUMIMH-DEOSSOPVSA-N 2 3 385.596 3.652 20 0 GHADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307056 861000076 /nfs/dbraw/zinc/00/00/76/861000076.db2.gz ITQZSPKSFNWRDQ-HYBUGGRVSA-N 2 3 381.564 3.627 20 0 GHADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307056 861000094 /nfs/dbraw/zinc/00/00/94/861000094.db2.gz ITQZSPKSFNWRDQ-HYBUGGRVSA-N 2 3 381.564 3.627 20 0 GHADHP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)c1 ZINC001172117704 905371844 /nfs/dbraw/zinc/37/18/44/905371844.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 2 3 397.607 3.998 20 0 GHADHP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2C[C@H]4CCC[C@@H](C2)N4C)CC3)c1 ZINC001172117704 905371857 /nfs/dbraw/zinc/37/18/57/905371857.db2.gz REXZIOKIPILNQA-JKHIJQBDSA-N 2 3 397.607 3.998 20 0 GHADHP CC(C)COCC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123199 1037202975 /nfs/dbraw/zinc/20/29/75/1037202975.db2.gz UFUDQJYOPUGOHX-GGAORHGYSA-N 2 3 387.612 3.529 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141549 1037212754 /nfs/dbraw/zinc/21/27/54/1037212754.db2.gz PYJMQVXEYBJMCI-PMOQBDJRSA-N 2 3 379.523 3.975 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246429828 1037389426 /nfs/dbraw/zinc/38/94/26/1037389426.db2.gz RLXKCHXALYBDPZ-UXHICEINSA-N 2 3 395.513 3.882 20 0 GHADHP CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235481533 1040954824 /nfs/dbraw/zinc/95/48/24/1040954824.db2.gz CSBOIIAPSXRACG-HSZRJFAPSA-N 2 3 379.548 3.802 20 0 GHADHP C[NH+]1CCC(CC[N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001236376758 1041688305 /nfs/dbraw/zinc/68/83/05/1041688305.db2.gz ABRXQNVRBRZKOT-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP C[NH+]1CCC(CC[N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001236376758 1041688310 /nfs/dbraw/zinc/68/83/10/1041688310.db2.gz ABRXQNVRBRZKOT-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP C[NH+]1CCC(CCN(Cc2ccc(Br)cc2)C2CC[NH2+]CC2)CC1 ZINC001236376758 1041688314 /nfs/dbraw/zinc/68/83/14/1041688314.db2.gz ABRXQNVRBRZKOT-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP Cc1cccc(N2CC[NH+](CCCCN[C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422805473 847831684 /nfs/dbraw/zinc/83/16/84/847831684.db2.gz GZLLJHZQBJPYLM-RPWUZVMVSA-N 2 3 378.564 3.632 20 0 GHADHP CC(C)[NH2+]C1CCN(CC(CN2CCC([NH2+]C(C)C)CC2)C2CCCC2)CC1 ZINC000878235952 894120332 /nfs/dbraw/zinc/12/03/32/894120332.db2.gz MQYWKXZRAOIGJF-UHFFFAOYSA-N 2 3 392.676 3.718 20 0 GHADHP CC(C)COCC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123200 1037202613 /nfs/dbraw/zinc/20/26/13/1037202613.db2.gz UFUDQJYOPUGOHX-GMAHTHKFSA-N 2 3 387.612 3.529 20 0 GHADHP CC1(C)C[C@H]([NH2+]Cc2ccccc2N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246318659 1037292893 /nfs/dbraw/zinc/29/28/93/1037292893.db2.gz KSHUXDQRMCAMKI-HSZRJFAPSA-N 2 3 392.591 3.629 20 0 GHADHP Fc1ccc(CC2(C[NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384686 1037344306 /nfs/dbraw/zinc/34/43/06/1037344306.db2.gz OJOULILWOHCHOM-DNQXCXABSA-N 2 3 395.566 3.691 20 0 GHADHP C[C@H]1CC([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246436027 1037400165 /nfs/dbraw/zinc/40/01/65/1037400165.db2.gz VUDXHFZOOHUIBF-HOTGVXAUSA-N 2 3 383.502 3.736 20 0 GHADHP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CCC[C@@H](C2)N4C)CC3)c1 ZINC001255679097 1041213181 /nfs/dbraw/zinc/21/31/81/1041213181.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 2 3 397.607 3.998 20 0 GHADHP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](C2C[C@H]4CCC[C@@H](C2)N4C)CC3)c1 ZINC001255679097 1041213197 /nfs/dbraw/zinc/21/31/97/1041213197.db2.gz REXZIOKIPILNQA-AIZNXBIQSA-N 2 3 397.607 3.998 20 0 GHADHP c1c(C[N@@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530798 /nfs/dbraw/zinc/53/07/98/1041530798.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 2 3 383.605 3.789 20 0 GHADHP c1c(C[N@H+]2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)sc2c1CC[NH2+]C2 ZINC001236092804 1041530827 /nfs/dbraw/zinc/53/08/27/1041530827.db2.gz QKYBIQZULZIIBU-KLJZETAQSA-N 2 3 383.605 3.789 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[NH+]2CCC3(CC2)NCCc2ccccc23)cc1 ZINC001237275500 1042118786 /nfs/dbraw/zinc/11/87/86/1042118786.db2.gz OSWOPLXRHALCSE-UHFFFAOYSA-N 2 3 393.575 3.654 20 0 GHADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849059329 1057570636 /nfs/dbraw/zinc/57/06/36/1057570636.db2.gz KGLUBQCDYGMZRW-NHCUHLMSSA-N 2 3 399.627 3.523 20 0 GHADHP C[C@H](CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422822575 847841249 /nfs/dbraw/zinc/84/12/49/847841249.db2.gz KDLMURVETRFSRA-WNOPAQSVSA-N 2 3 379.548 3.743 20 0 GHADHP [NH3+]C[C@H]1CCCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001206623478 1033927446 /nfs/dbraw/zinc/92/74/46/1033927446.db2.gz LSRJJZSZZYQYPM-HSZRJFAPSA-N 2 3 392.591 3.570 20 0 GHADHP [NH3+]C[C@H]1CCCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001206623478 1033927456 /nfs/dbraw/zinc/92/74/56/1033927456.db2.gz LSRJJZSZZYQYPM-HSZRJFAPSA-N 2 3 392.591 3.570 20 0 GHADHP FC(F)(F)c1ccccc1C1(N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246454012 1037413088 /nfs/dbraw/zinc/41/30/88/1037413088.db2.gz ZJCNIKHWZUDAFF-VQIMIIECSA-N 2 3 381.486 3.796 20 0 GHADHP COc1ccc(C[N@H+](C2CCNCC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246960056 1037781234 /nfs/dbraw/zinc/78/12/34/1037781234.db2.gz LPCQDRMBDXXOKT-UHFFFAOYSA-N 2 3 389.559 3.701 20 0 GHADHP COc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246960056 1037781252 /nfs/dbraw/zinc/78/12/52/1037781252.db2.gz LPCQDRMBDXXOKT-UHFFFAOYSA-N 2 3 389.559 3.701 20 0 GHADHP COc1ccc(CN(C2CC[NH2+]CC2)C2CCC3(CCC[NH2+]C3)CC2)cc1F ZINC001246960056 1037781269 /nfs/dbraw/zinc/78/12/69/1037781269.db2.gz LPCQDRMBDXXOKT-UHFFFAOYSA-N 2 3 389.559 3.701 20 0 GHADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656537880 857337398 /nfs/dbraw/zinc/33/73/98/857337398.db2.gz GOOBWFCHKPUQNO-TUSQITKMSA-N 2 3 390.575 3.941 20 0 GHADHP C[C@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130684 870950414 /nfs/dbraw/zinc/95/04/14/870950414.db2.gz HILLOFZQFOLRDU-REWPJTCUSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130684 870950423 /nfs/dbraw/zinc/95/04/23/870950423.db2.gz HILLOFZQFOLRDU-REWPJTCUSA-N 2 3 381.564 3.770 20 0 GHADHP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006092 /nfs/dbraw/zinc/00/60/92/884006092.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 2 3 393.575 3.568 20 0 GHADHP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006104 /nfs/dbraw/zinc/00/61/04/884006104.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006114 /nfs/dbraw/zinc/00/61/14/884006114.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170840 884006129 /nfs/dbraw/zinc/00/61/29/884006129.db2.gz OMPBIOFJTOIEEC-CCDWMCETSA-N 2 3 393.575 3.568 20 0 GHADHP [NH3+]C[C@@H]1CCCC[N@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001206623481 1033927652 /nfs/dbraw/zinc/92/76/52/1033927652.db2.gz LSRJJZSZZYQYPM-QHCPKHFHSA-N 2 3 392.591 3.570 20 0 GHADHP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2N2CCN(Cc3ccccc3)CC2)C1 ZINC001206623481 1033927656 /nfs/dbraw/zinc/92/76/56/1033927656.db2.gz LSRJJZSZZYQYPM-QHCPKHFHSA-N 2 3 392.591 3.570 20 0 GHADHP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123891 1037205147 /nfs/dbraw/zinc/20/51/47/1037205147.db2.gz VHKKWVJMLDSLKS-REWPJTCUSA-N 2 3 395.566 3.848 20 0 GHADHP Brc1ccc(C2(N[C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246186176 1037228194 /nfs/dbraw/zinc/22/81/94/1037228194.db2.gz XGSCRFXMTHNZKI-MOPGFXCFSA-N 2 3 392.385 3.540 20 0 GHADHP Fc1cccc([C@H]([NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403581 1037359982 /nfs/dbraw/zinc/35/99/82/1037359982.db2.gz HJNNUJZLJKMGRR-WXFUMESZSA-N 2 3 381.539 3.819 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246426855 1037385038 /nfs/dbraw/zinc/38/50/38/1037385038.db2.gz DUSADEPTAINLQP-LJQANCHMSA-N 2 3 395.513 3.882 20 0 GHADHP Fc1ccccc1CC1(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246431667 1037393284 /nfs/dbraw/zinc/39/32/84/1037393284.db2.gz FTLQPOTWDYBRTM-XZOQPEGZSA-N 2 3 395.566 3.691 20 0 GHADHP CC1(C)C[C@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246432024 1037393642 /nfs/dbraw/zinc/39/36/42/1037393642.db2.gz VWURJPPQHHLEJF-GOSISDBHSA-N 2 3 383.502 3.738 20 0 GHADHP C[C@H]1C[C@@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441570 1037404277 /nfs/dbraw/zinc/40/42/77/1037404277.db2.gz JCKRQVGUIOWDDU-QZHFEQFPSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@H]1C[C@@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441570 1037404289 /nfs/dbraw/zinc/40/42/89/1037404289.db2.gz JCKRQVGUIOWDDU-QZHFEQFPSA-N 2 3 380.374 3.662 20 0 GHADHP Fc1cc(C[N@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)ccc1C(F)(F)F ZINC001246966702 1037790611 /nfs/dbraw/zinc/79/06/11/1037790611.db2.gz ZNHLIYGDFZDMGB-INIZCTEOSA-N 2 3 385.449 3.541 20 0 GHADHP Fc1cc(C[N@@H+]([C@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)ccc1C(F)(F)F ZINC001246966702 1037790633 /nfs/dbraw/zinc/79/06/33/1037790633.db2.gz ZNHLIYGDFZDMGB-INIZCTEOSA-N 2 3 385.449 3.541 20 0 GHADHP Fc1cc(CN([C@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001246966702 1037790655 /nfs/dbraw/zinc/79/06/55/1037790655.db2.gz ZNHLIYGDFZDMGB-INIZCTEOSA-N 2 3 385.449 3.541 20 0 GHADHP c1ccc(C[N@H+]2CC[C@@H](CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481465 /nfs/dbraw/zinc/48/14/65/1041481465.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 2 3 375.560 3.646 20 0 GHADHP c1ccc(C[N@@H+]2CC[C@@H](CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975814 1041481487 /nfs/dbraw/zinc/48/14/87/1041481487.db2.gz XAEYUTRNVSHIMH-JOCHJYFZSA-N 2 3 375.560 3.646 20 0 GHADHP Cc1ccc(C[N@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989332 854017292 /nfs/dbraw/zinc/01/72/92/854017292.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 3 379.592 3.764 20 0 GHADHP Cc1ccc(C[N@@H+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[NH+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989332 854017296 /nfs/dbraw/zinc/01/72/96/854017296.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 3 379.592 3.764 20 0 GHADHP Cc1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989332 854017302 /nfs/dbraw/zinc/01/73/02/854017302.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 3 379.592 3.764 20 0 GHADHP Cc1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989332 854017304 /nfs/dbraw/zinc/01/73/04/854017304.db2.gz XMUBOYHAWDFQEG-FGNZNUHVSA-N 2 3 379.592 3.764 20 0 GHADHP c1ccc(CN2CCCC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000448549753 873590522 /nfs/dbraw/zinc/59/05/22/873590522.db2.gz HHSNOIUDKYCOIV-JOCHJYFZSA-N 2 3 378.564 3.942 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157077 883626357 /nfs/dbraw/zinc/62/63/57/883626357.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157077 883626362 /nfs/dbraw/zinc/62/63/62/883626362.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([N@@H+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157077 883626371 /nfs/dbraw/zinc/62/63/71/883626371.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([N@H+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157077 883626378 /nfs/dbraw/zinc/62/63/78/883626378.db2.gz YDYNVDFSVYYYCJ-COPRSSIGSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC001170686617 890967851 /nfs/dbraw/zinc/96/78/51/890967851.db2.gz VTRFYUCMPPSZNN-SFHVURJKSA-N 2 3 389.547 3.730 20 0 GHADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517915 922252155 /nfs/dbraw/zinc/25/21/55/922252155.db2.gz ORVWLKJEGRLQDQ-GFRNBQLOSA-N 2 3 378.564 3.800 20 0 GHADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517915 922252169 /nfs/dbraw/zinc/25/21/69/922252169.db2.gz ORVWLKJEGRLQDQ-GFRNBQLOSA-N 2 3 378.564 3.800 20 0 GHADHP CN1CCN(CC2(C)CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000411526551 926478267 /nfs/dbraw/zinc/47/82/67/926478267.db2.gz OKEKOPZZMZFLPE-UHFFFAOYSA-N 2 3 398.639 3.522 20 0 GHADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001219023655 1031217109 /nfs/dbraw/zinc/21/71/09/1031217109.db2.gz ICFVKEQLOOPDGH-NRFANRHFSA-N 2 3 388.600 3.885 20 0 GHADHP CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC001219023655 1031217121 /nfs/dbraw/zinc/21/71/21/1031217121.db2.gz ICFVKEQLOOPDGH-NRFANRHFSA-N 2 3 388.600 3.885 20 0 GHADHP CC(C)[C@@H]1C[C@@H](NCC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246421276 1037376942 /nfs/dbraw/zinc/37/69/42/1037376942.db2.gz AZCAPFQRFMZLRI-LPHOPBHVSA-N 2 3 383.502 3.693 20 0 GHADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246431064 1037392116 /nfs/dbraw/zinc/39/21/16/1037392116.db2.gz ACGRGXPFYXRFJJ-KRWDZBQOSA-N 2 3 383.502 3.738 20 0 GHADHP Cc1cc(N2CC[NH+](C3CCC4(CC[NH2+]CC4)CC3)CC2)c2ccccc2n1 ZINC001246573561 1037485038 /nfs/dbraw/zinc/48/50/38/1037485038.db2.gz SKWQWACCIYXOGG-UHFFFAOYSA-N 2 3 378.564 3.978 20 0 GHADHP C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000449094099 874493780 /nfs/dbraw/zinc/49/37/80/874493780.db2.gz ZPYIXZJCXFEBTF-NRFANRHFSA-N 2 3 395.591 3.812 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CCCCC[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607987 /nfs/dbraw/zinc/60/79/87/890607987.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607990 /nfs/dbraw/zinc/60/79/90/890607990.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([N@@H+](C)CCCCC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607995 /nfs/dbraw/zinc/60/79/95/890607995.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([N@H+](C)CCCCC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447095 890607999 /nfs/dbraw/zinc/60/79/99/890607999.db2.gz ZFFLLBSSBDUVJL-MESAYYPLSA-N 2 3 380.665 3.766 20 0 GHADHP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123980 1037204684 /nfs/dbraw/zinc/20/46/84/1037204684.db2.gz WBMYITFETNHYHO-NFBKMPQASA-N 2 3 395.566 3.848 20 0 GHADHP COc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126382 1037206065 /nfs/dbraw/zinc/20/60/65/1037206065.db2.gz LIQHJLCWJQSRMW-FOVJLYNBSA-N 2 3 391.559 3.844 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141551 1037213481 /nfs/dbraw/zinc/21/34/81/1037213481.db2.gz PYJMQVXEYBJMCI-VJBMBRPKSA-N 2 3 379.523 3.975 20 0 GHADHP Cc1cccc(C[N@@H+](C2CCC(N3CCOCC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246974154 1037798096 /nfs/dbraw/zinc/79/80/96/1037798096.db2.gz RBGABKFDWUQTGD-SAXTUKQPSA-N 2 3 385.596 3.710 20 0 GHADHP Cc1cccc(C[N@H+](C2CCC(N3CCOCC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001246974154 1037798113 /nfs/dbraw/zinc/79/81/13/1037798113.db2.gz RBGABKFDWUQTGD-SAXTUKQPSA-N 2 3 385.596 3.710 20 0 GHADHP Cc1nc(C2CC[NH2+]CC2)sc1CN1CCC(CC2CC[NH2+]CC2)CC1 ZINC001236962304 1041970857 /nfs/dbraw/zinc/97/08/57/1041970857.db2.gz VMIHUPGQACTILU-UHFFFAOYSA-N 2 3 376.614 3.520 20 0 GHADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428224287 857204298 /nfs/dbraw/zinc/20/42/98/857204298.db2.gz CJDNVAAZMSBPAL-OJJQZRKESA-N 2 3 399.623 3.504 20 0 GHADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428224287 857204303 /nfs/dbraw/zinc/20/43/03/857204303.db2.gz CJDNVAAZMSBPAL-OJJQZRKESA-N 2 3 399.623 3.504 20 0 GHADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656537877 857337453 /nfs/dbraw/zinc/33/74/53/857337453.db2.gz GOOBWFCHKPUQNO-FTBPSBKWSA-N 2 3 390.575 3.941 20 0 GHADHP C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000449093773 874495642 /nfs/dbraw/zinc/49/56/42/874495642.db2.gz YHCGSUXMDWSPER-OAQYLSRUSA-N 2 3 395.591 3.812 20 0 GHADHP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000902503760 922244838 /nfs/dbraw/zinc/24/48/38/922244838.db2.gz JYYAHZYRNPDWHQ-KUWBRRTOSA-N 2 3 395.547 3.534 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227741 1069451736 /nfs/dbraw/zinc/45/17/36/1069451736.db2.gz CMNIOCCQKWNKPP-DENIHFKCSA-N 2 3 387.593 3.861 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227741 1069451741 /nfs/dbraw/zinc/45/17/41/1069451741.db2.gz CMNIOCCQKWNKPP-DENIHFKCSA-N 2 3 387.593 3.861 20 0 GHADHP CSC(C)(C)C[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122458 1037200635 /nfs/dbraw/zinc/20/06/35/1037200635.db2.gz QSNYZPAYRKGCNK-FPOVZHCZSA-N 2 3 389.653 3.998 20 0 GHADHP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246358733 1037318722 /nfs/dbraw/zinc/31/87/22/1037318722.db2.gz AXLJYJAARGDLCU-RPWUZVMVSA-N 2 3 395.566 3.991 20 0 GHADHP Clc1cccc(C2(C[NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427928 1037386593 /nfs/dbraw/zinc/38/65/93/1037386593.db2.gz NRSFLWSRWOEBPJ-XZOQPEGZSA-N 2 3 397.994 3.914 20 0 GHADHP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001308271470 1049932629 /nfs/dbraw/zinc/93/26/29/1049932629.db2.gz SNJPMCKYOZCBMK-FQEVSTJZSA-N 2 3 381.564 3.942 20 0 GHADHP C[C@H]1CCC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689393 837609686 /nfs/dbraw/zinc/60/96/86/837609686.db2.gz CGQWZHDXOKGRCB-GBXCKJPGSA-N 2 3 385.596 3.652 20 0 GHADHP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689393 837609691 /nfs/dbraw/zinc/60/96/91/837609691.db2.gz CGQWZHDXOKGRCB-GBXCKJPGSA-N 2 3 385.596 3.652 20 0 GHADHP CC(C)CCN1CCC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001183535086 912643090 /nfs/dbraw/zinc/64/30/90/912643090.db2.gz TWKDDOGSPLELOQ-UHFFFAOYSA-N 2 3 387.612 3.504 20 0 GHADHP OC1(CCNC2CC[NH+](C3CCCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000883342540 897509359 /nfs/dbraw/zinc/50/93/59/897509359.db2.gz CCGHVWATCDXREK-UHFFFAOYSA-N 2 3 399.623 3.790 20 0 GHADHP CSC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122455 1037200697 /nfs/dbraw/zinc/20/06/97/1037200697.db2.gz QSNYZPAYRKGCNK-CTNGQTDRSA-N 2 3 389.653 3.998 20 0 GHADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246432026 1037393859 /nfs/dbraw/zinc/39/38/59/1037393859.db2.gz VWURJPPQHHLEJF-SFHVURJKSA-N 2 3 383.502 3.738 20 0 GHADHP Clc1ccccc1C1(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246451352 1037412166 /nfs/dbraw/zinc/41/21/66/1037412166.db2.gz MNWYBYGQOJXMTH-SFTDATJTSA-N 2 3 397.994 3.914 20 0 GHADHP FC(F)(F)c1ccccc1C1(N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246454006 1037413452 /nfs/dbraw/zinc/41/34/52/1037413452.db2.gz ZJCNIKHWZUDAFF-LPHOPBHVSA-N 2 3 381.486 3.796 20 0 GHADHP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116539 /nfs/dbraw/zinc/11/65/39/1041116539.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 2 3 396.604 3.521 20 0 GHADHP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664121 1041116558 /nfs/dbraw/zinc/11/65/58/1041116558.db2.gz YOPLPXADZCKRFT-VLCRHTCISA-N 2 3 396.604 3.521 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN2Cc3ccccc3C3(CC[NH2+]CC3)C2)cc1 ZINC001235976046 1041481781 /nfs/dbraw/zinc/48/17/81/1041481781.db2.gz ZLAJVSGHBAVQEG-UHFFFAOYSA-N 2 3 393.575 3.654 20 0 GHADHP CC[NH+]1CCC(C[N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001236376759 1041688758 /nfs/dbraw/zinc/68/87/58/1041688758.db2.gz AECMSANHBNTWSS-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP CC[NH+]1CCC(C[N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001236376759 1041688766 /nfs/dbraw/zinc/68/87/66/1041688766.db2.gz AECMSANHBNTWSS-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275630 864385854 /nfs/dbraw/zinc/38/58/54/864385854.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275630 864385869 /nfs/dbraw/zinc/38/58/69/864385869.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000480275630 864385882 /nfs/dbraw/zinc/38/58/82/864385882.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000480275630 864385898 /nfs/dbraw/zinc/38/58/98/864385898.db2.gz DTBWKAWLQKGMMN-BWKNWUBXSA-N 2 3 377.576 3.935 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029852 883095743 /nfs/dbraw/zinc/09/57/43/883095743.db2.gz BGZWPABYBHAEMB-LADGPHEKSA-N 2 3 381.564 3.942 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029852 883095758 /nfs/dbraw/zinc/09/57/58/883095758.db2.gz BGZWPABYBHAEMB-LADGPHEKSA-N 2 3 381.564 3.942 20 0 GHADHP CCN1CCN(c2ccc(-c3ccccc3C[NH+]3CCC(C[NH3+])CC3)cc2)CC1 ZINC001241745523 1035671144 /nfs/dbraw/zinc/67/11/44/1035671144.db2.gz GTMPOCORFWRCGN-UHFFFAOYSA-N 2 3 392.591 3.666 20 0 GHADHP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123981 1037205283 /nfs/dbraw/zinc/20/52/83/1037205283.db2.gz WBMYITFETNHYHO-NZQKXSOJSA-N 2 3 395.566 3.848 20 0 GHADHP [NH3+]C/C=C/CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246364903 1037324504 /nfs/dbraw/zinc/32/45/04/1037324504.db2.gz VEVHRXANFKZRMU-XMQJERPOSA-N 2 3 375.560 3.856 20 0 GHADHP [NH3+]C/C=C/CN[C@@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246364903 1037324535 /nfs/dbraw/zinc/32/45/35/1037324535.db2.gz VEVHRXANFKZRMU-XMQJERPOSA-N 2 3 375.560 3.856 20 0 GHADHP Fc1ccc([C@H](N[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409574 1037366219 /nfs/dbraw/zinc/36/62/19/1037366219.db2.gz XRVYJRXQMHQUMA-VXNXHJTFSA-N 2 3 381.539 3.819 20 0 GHADHP Fc1ccc([C@H]([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409574 1037366236 /nfs/dbraw/zinc/36/62/36/1037366236.db2.gz XRVYJRXQMHQUMA-VXNXHJTFSA-N 2 3 381.539 3.819 20 0 GHADHP C[C@@H]1CC([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246411528 1037367070 /nfs/dbraw/zinc/36/70/70/1037367070.db2.gz AFPQOWSJUPHJOE-HZPDHXFCSA-N 2 3 383.502 3.736 20 0 GHADHP FC(F)(F)c1ccc(C2(N[C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246419008 1037374374 /nfs/dbraw/zinc/37/43/74/1037374374.db2.gz BVVWAOJWSFZJEK-OALUTQOASA-N 2 3 381.486 3.796 20 0 GHADHP CC(C)[C@H]1C[C@H](NCC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246421278 1037376151 /nfs/dbraw/zinc/37/61/51/1037376151.db2.gz AZCAPFQRFMZLRI-VQIMIIECSA-N 2 3 383.502 3.693 20 0 GHADHP NC1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246439032 1037402522 /nfs/dbraw/zinc/40/25/22/1037402522.db2.gz RJTGQWJIRKRCKK-UXHICEINSA-N 2 3 395.513 3.964 20 0 GHADHP C[C@@H]1C[C@@H]([N@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441457 1037403137 /nfs/dbraw/zinc/40/31/37/1037403137.db2.gz HMAYQBQAMGAEFX-AXUOBQJMSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441457 1037403147 /nfs/dbraw/zinc/40/31/47/1037403147.db2.gz HMAYQBQAMGAEFX-AXUOBQJMSA-N 2 3 380.374 3.662 20 0 GHADHP CCCC[NH+](CCCC)CCCNCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049459 1039974977 /nfs/dbraw/zinc/97/49/77/1039974977.db2.gz DPVQAAJGVXPJKD-UHFFFAOYSA-N 2 3 389.628 3.895 20 0 GHADHP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124143 932056933 /nfs/dbraw/zinc/05/69/33/932056933.db2.gz HCRYGJAQFQZSPH-CYFREDJKSA-N 2 3 381.564 3.556 20 0 GHADHP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124143 932056934 /nfs/dbraw/zinc/05/69/34/932056934.db2.gz HCRYGJAQFQZSPH-CYFREDJKSA-N 2 3 381.564 3.556 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[NH+]2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269207 1032712506 /nfs/dbraw/zinc/71/25/06/1032712506.db2.gz WQXVBZVKZNUXPF-ZEQRLZLVSA-N 2 3 393.575 3.581 20 0 GHADHP CC[C@H](C)OCC[C@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123232 1037202679 /nfs/dbraw/zinc/20/26/79/1037202679.db2.gz UKHAGUDLSRAFPN-FUDKSRODSA-N 2 3 387.612 3.672 20 0 GHADHP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123983 1037204296 /nfs/dbraw/zinc/20/42/96/1037204296.db2.gz WBMYITFETNHYHO-REWPJTCUSA-N 2 3 395.566 3.848 20 0 GHADHP COc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126383 1037207057 /nfs/dbraw/zinc/20/70/57/1037207057.db2.gz LIQHJLCWJQSRMW-IEXUWNMDSA-N 2 3 391.559 3.844 20 0 GHADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246415449 1037370789 /nfs/dbraw/zinc/37/07/89/1037370789.db2.gz PPFQFYQVOREGDB-OALUTQOASA-N 2 3 383.502 3.738 20 0 GHADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246415448 1037371531 /nfs/dbraw/zinc/37/15/31/1037371531.db2.gz PPFQFYQVOREGDB-MOPGFXCFSA-N 2 3 383.502 3.738 20 0 GHADHP FC(F)(F)c1ccccc1C1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246423086 1037380678 /nfs/dbraw/zinc/38/06/78/1037380678.db2.gz MIMODTMOKQZHKY-BJWYYQGGSA-N 2 3 381.486 3.589 20 0 GHADHP Clc1cccc(C2(C[NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427920 1037387650 /nfs/dbraw/zinc/38/76/50/1037387650.db2.gz NRSFLWSRWOEBPJ-GOTSBHOMSA-N 2 3 397.994 3.914 20 0 GHADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246436026 1037399050 /nfs/dbraw/zinc/39/90/50/1037399050.db2.gz VUDXHFZOOHUIBF-ALXJQNPVSA-N 2 3 383.502 3.736 20 0 GHADHP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692810 837676908 /nfs/dbraw/zinc/67/69/08/837676908.db2.gz VJQDLKUTMWQBBG-DNRQZRRGSA-N 2 3 399.623 3.898 20 0 GHADHP Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821581 847841023 /nfs/dbraw/zinc/84/10/23/847841023.db2.gz XECABNOSSGNMJW-LJQANCHMSA-N 2 3 396.579 3.571 20 0 GHADHP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422852996 847856001 /nfs/dbraw/zinc/85/60/01/847856001.db2.gz YNQSBTFRLXGGQM-NRFANRHFSA-N 2 3 380.580 3.616 20 0 GHADHP CC[C@@H]1CN(CCC[NH+]2CCCCC2)[C@@H](CC)CN1CCC[NH+]1CCCCC1 ZINC000161858798 872687930 /nfs/dbraw/zinc/68/79/30/872687930.db2.gz RGEKTNMKEVIEOH-PSWAGMNNSA-N 2 3 392.676 3.913 20 0 GHADHP C[C@H](Cc1ccccc1)N1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000449094100 874493662 /nfs/dbraw/zinc/49/36/62/874493662.db2.gz ZPYIXZJCXFEBTF-OAQYLSRUSA-N 2 3 395.591 3.812 20 0 GHADHP Clc1cccc(CC2([NH2+]C3CCC4(CC[NH2+]CC4)CC3)CCNCC2)c1 ZINC001246427411 1037384963 /nfs/dbraw/zinc/38/49/63/1037384963.db2.gz GCAVMYPSYMHEFV-UHFFFAOYSA-N 2 3 375.988 3.907 20 0 GHADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246432004 1037394235 /nfs/dbraw/zinc/39/42/35/1037394235.db2.gz VNZTVVVUPPJFAT-MOPGFXCFSA-N 2 3 383.502 3.738 20 0 GHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690148 837680419 /nfs/dbraw/zinc/68/04/19/837680419.db2.gz XKXQTYBZJAYFFL-YKSBVNFPSA-N 2 3 385.596 3.794 20 0 GHADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690148 837680425 /nfs/dbraw/zinc/68/04/25/837680425.db2.gz XKXQTYBZJAYFFL-YKSBVNFPSA-N 2 3 385.596 3.794 20 0 GHADHP C[N@H+](CCCN1CCCCC1)[C@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000162053309 837107014 /nfs/dbraw/zinc/10/70/14/837107014.db2.gz BOEBEWVOHHGXIQ-QHCPKHFHSA-N 2 3 378.649 3.525 20 0 GHADHP C[N@@H+](CCCN1CCCCC1)[C@H]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000162053309 837107017 /nfs/dbraw/zinc/10/70/17/837107017.db2.gz BOEBEWVOHHGXIQ-QHCPKHFHSA-N 2 3 378.649 3.525 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157075 883626220 /nfs/dbraw/zinc/62/62/20/883626220.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157075 883626229 /nfs/dbraw/zinc/62/62/29/883626229.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([N@@H+](C)CC[Si](C)(C)CC[NH+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157075 883626234 /nfs/dbraw/zinc/62/62/34/883626234.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([N@H+](C)CC[Si](C)(C)CC[NH+](C)[C@@H]2CCN(C)[C@@H](C)C2)CCN1C ZINC000859157075 883626242 /nfs/dbraw/zinc/62/62/42/883626242.db2.gz YDYNVDFSVYYYCJ-CIAFKFPVSA-N 2 3 396.740 3.524 20 0 GHADHP CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809738749 887774836 /nfs/dbraw/zinc/77/48/36/887774836.db2.gz HXTFCSAXYNUHCF-UHFFFAOYSA-N 2 3 381.564 3.855 20 0 GHADHP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000902506284 922247336 /nfs/dbraw/zinc/24/73/36/922247336.db2.gz XTTJGZITOISEEA-KUWBRRTOSA-N 2 3 395.547 3.534 20 0 GHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517917 922251665 /nfs/dbraw/zinc/25/16/65/922251665.db2.gz ORVWLKJEGRLQDQ-KVJIRVJXSA-N 2 3 378.564 3.800 20 0 GHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000902517917 922251682 /nfs/dbraw/zinc/25/16/82/922251682.db2.gz ORVWLKJEGRLQDQ-KVJIRVJXSA-N 2 3 378.564 3.800 20 0 GHADHP CCCN1CCN(c2ccccc2C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000798956541 932838796 /nfs/dbraw/zinc/83/87/96/932838796.db2.gz CKZADYWSRHKTEF-UHFFFAOYSA-N 2 3 384.612 3.526 20 0 GHADHP CCCN1CCN(c2ccccc2C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000798956541 932838799 /nfs/dbraw/zinc/83/87/99/932838799.db2.gz CKZADYWSRHKTEF-UHFFFAOYSA-N 2 3 384.612 3.526 20 0 GHADHP CC1(C)CC([NH2+]C[C@H]2CN(Cc3ccccc3)CC23CC[NH2+]CC3)CC(C)(C)O1 ZINC001246118813 1037201112 /nfs/dbraw/zinc/20/11/12/1037201112.db2.gz BFPQTVYPUKVHQX-NRFANRHFSA-N 2 3 399.623 3.814 20 0 GHADHP CC(C)COCC[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123202 1037203457 /nfs/dbraw/zinc/20/34/57/1037203457.db2.gz UFUDQJYOPUGOHX-JTHBVZDNSA-N 2 3 387.612 3.529 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136183 1037209816 /nfs/dbraw/zinc/20/98/16/1037209816.db2.gz COZAEQBGDLLAPK-IMSXRSKXSA-N 2 3 393.550 3.845 20 0 GHADHP Clc1cccc(C2(C[NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427917 1037386930 /nfs/dbraw/zinc/38/69/30/1037386930.db2.gz NRSFLWSRWOEBPJ-DHIUTWEWSA-N 2 3 397.994 3.914 20 0 GHADHP FC(F)(F)c1ccc(CC2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246434134 1037395305 /nfs/dbraw/zinc/39/53/05/1037395305.db2.gz OIVAQTPBIPHSLT-LJQANCHMSA-N 2 3 395.513 3.882 20 0 GHADHP N[C@H]1[C@H]2C[N@H+](C3CCC([NH+](Cc4ccccc4)Cc4ccccc4)CC3)C[C@@H]12 ZINC001246661851 1037533255 /nfs/dbraw/zinc/53/32/55/1037533255.db2.gz MFTCNHFYPDMQDB-RECJUBGPSA-N 2 3 375.560 3.889 20 0 GHADHP N[C@H]1[C@H]2C[N@@H+](C3CCC([NH+](Cc4ccccc4)Cc4ccccc4)CC3)C[C@@H]12 ZINC001246661851 1037533266 /nfs/dbraw/zinc/53/32/66/1037533266.db2.gz MFTCNHFYPDMQDB-RECJUBGPSA-N 2 3 375.560 3.889 20 0 GHADHP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336760 835092254 /nfs/dbraw/zinc/09/22/54/835092254.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 2 3 381.564 3.581 20 0 GHADHP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336760 835092265 /nfs/dbraw/zinc/09/22/65/835092265.db2.gz AHBWVXINSHMZQI-HSZRJFAPSA-N 2 3 381.564 3.581 20 0 GHADHP C[NH+](C)[C@@H]1CCCN(Cc2cccc(CN3CCC[C@H]([NH+](C)C)CC3)c2)CC1 ZINC000277101475 844620235 /nfs/dbraw/zinc/62/02/35/844620235.db2.gz GOQBPYASSSXIAN-PSWAGMNNSA-N 2 3 386.628 3.519 20 0 GHADHP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(C(C)(C)C)CC3)CC2)c1 ZINC000177759718 861265172 /nfs/dbraw/zinc/26/51/72/861265172.db2.gz WFCWOMFHHZWFCX-UHFFFAOYSA-N 2 3 386.628 3.750 20 0 GHADHP CCC[N@@H+]1CCCC[C@H]1c1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158589157 1034181950 /nfs/dbraw/zinc/18/19/50/1034181950.db2.gz MGYKSANCZVRDJD-QHCPKHFHSA-N 2 3 399.627 3.671 20 0 GHADHP CCC[N@H+]1CCCC[C@H]1c1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158589157 1034181963 /nfs/dbraw/zinc/18/19/63/1034181963.db2.gz MGYKSANCZVRDJD-QHCPKHFHSA-N 2 3 399.627 3.671 20 0 GHADHP Clc1cccc(CC2([NH2+]C3CCC4(CCC[NH2+]C4)CC3)CCNCC2)c1 ZINC001246430998 1037390890 /nfs/dbraw/zinc/39/08/90/1037390890.db2.gz XFMFXVOCRGYHOL-UHFFFAOYSA-N 2 3 375.988 3.907 20 0 GHADHP Cc1ncsc1C[N@@H+]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001279274995 1047753642 /nfs/dbraw/zinc/75/36/42/1047753642.db2.gz AGSQRCCQTITQDZ-UHFFFAOYSA-N 2 3 376.614 3.615 20 0 GHADHP Cc1ncsc1C[N@H+]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001279274995 1047753646 /nfs/dbraw/zinc/75/36/46/1047753646.db2.gz AGSQRCCQTITQDZ-UHFFFAOYSA-N 2 3 376.614 3.615 20 0 GHADHP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000506879327 852280925 /nfs/dbraw/zinc/28/09/25/852280925.db2.gz BYQWCCWMKBRIBM-UHFFFAOYSA-N 2 3 386.628 3.772 20 0 GHADHP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2N2CCN(CC)CC2)CC1 ZINC000506879327 852280938 /nfs/dbraw/zinc/28/09/38/852280938.db2.gz BYQWCCWMKBRIBM-UHFFFAOYSA-N 2 3 386.628 3.772 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CCCCC[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608182 /nfs/dbraw/zinc/60/81/82/890608182.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608185 /nfs/dbraw/zinc/60/81/85/890608185.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([N@@H+](C)CCCCC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608187 /nfs/dbraw/zinc/60/81/87/890608187.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([N@H+](C)CCCCC[NH+](C)[C@H]2CCN(CC)[C@@H](C)C2)C[C@@H]1C ZINC000533447094 890608190 /nfs/dbraw/zinc/60/81/90/890608190.db2.gz ZFFLLBSSBDUVJL-CWBXHPNXSA-N 2 3 380.665 3.766 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)c2)CCN1C ZINC000123058602 901891380 /nfs/dbraw/zinc/89/13/80/901891380.db2.gz RPQLIXODKLRAMZ-FAYOUJPWSA-N 2 3 386.628 3.516 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)c2)CCN1C ZINC000123058602 901891397 /nfs/dbraw/zinc/89/13/97/901891397.db2.gz RPQLIXODKLRAMZ-FAYOUJPWSA-N 2 3 386.628 3.516 20 0 GHADHP CCN1CC[NH+](CCCC[NH2+]C2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000924663093 931466916 /nfs/dbraw/zinc/46/69/16/931466916.db2.gz YCYYNSNBARDUEC-QILAJZQNSA-N 2 3 398.639 3.579 20 0 GHADHP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)c4ccccc43)CCN2)cc1 ZINC001246256267 1037256808 /nfs/dbraw/zinc/25/68/08/1037256808.db2.gz NVBPSOHMVCYYBP-IMSXRSKXSA-N 2 3 375.560 3.706 20 0 GHADHP Fc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246431663 1037392916 /nfs/dbraw/zinc/39/29/16/1037392916.db2.gz FTLQPOTWDYBRTM-PKTZIBPZSA-N 2 3 395.566 3.691 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246620254 1037513213 /nfs/dbraw/zinc/51/32/13/1037513213.db2.gz QPJVQVYVLJTEPE-TZRRMPRUSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246620254 1037513224 /nfs/dbraw/zinc/51/32/24/1037513224.db2.gz QPJVQVYVLJTEPE-TZRRMPRUSA-N 2 3 397.607 3.712 20 0 GHADHP OC1(C[NH2+]C2CCN(CC3CCCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001254053017 1039977683 /nfs/dbraw/zinc/97/76/83/1039977683.db2.gz DENWUNUYEUPGSX-UHFFFAOYSA-N 2 3 399.623 3.648 20 0 GHADHP [NH3+]C1CCC([N@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686236 1043622187 /nfs/dbraw/zinc/62/21/87/1043622187.db2.gz MWCTXCUHRMSOQW-KCAONXANSA-N 2 3 397.607 3.758 20 0 GHADHP [NH3+]C1CCC([N@@H+]([C@@H]2C[C@H]2c2ccccc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256686236 1043622194 /nfs/dbraw/zinc/62/21/94/1043622194.db2.gz MWCTXCUHRMSOQW-KCAONXANSA-N 2 3 397.607 3.758 20 0 GHADHP CN(c1ccccc1CN1CCC(C[NH+]2CCCC2)CC1)C1CC[NH+](C)CC1 ZINC000152675332 841034909 /nfs/dbraw/zinc/03/49/09/841034909.db2.gz BTFTXWVTQRJQSY-UHFFFAOYSA-N 2 3 384.612 3.525 20 0 GHADHP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307055 861000441 /nfs/dbraw/zinc/00/04/41/861000441.db2.gz ITQZSPKSFNWRDQ-GBXCKJPGSA-N 2 3 381.564 3.627 20 0 GHADHP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307055 861000449 /nfs/dbraw/zinc/00/04/49/861000449.db2.gz ITQZSPKSFNWRDQ-GBXCKJPGSA-N 2 3 381.564 3.627 20 0 GHADHP CCN1CCC([NH+](C)Cc2ccccc2C[N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000157410621 868647648 /nfs/dbraw/zinc/64/76/48/868647648.db2.gz WLGXMSKCBORCJM-UHFFFAOYSA-N 2 3 386.628 3.519 20 0 GHADHP CCN1CCC([NH+](C)Cc2ccccc2C[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000157410621 868647663 /nfs/dbraw/zinc/64/76/63/868647663.db2.gz WLGXMSKCBORCJM-UHFFFAOYSA-N 2 3 386.628 3.519 20 0 GHADHP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000902506275 922246756 /nfs/dbraw/zinc/24/67/56/922246756.db2.gz XTTJGZITOISEEA-ANJVHQHFSA-N 2 3 395.547 3.534 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+]C2CCC3(CC[NH2+]C3)CC2)CCNCC1 ZINC001246391181 1037352012 /nfs/dbraw/zinc/35/20/12/1037352012.db2.gz VBSWDHUBOXKJIZ-UHFFFAOYSA-N 2 3 395.513 3.882 20 0 GHADHP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246420329 1037376199 /nfs/dbraw/zinc/37/61/99/1037376199.db2.gz VUTIAHQOVUGHLN-GOSISDBHSA-N 2 3 381.486 3.591 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246620252 1037511717 /nfs/dbraw/zinc/51/17/17/1037511717.db2.gz QPJVQVYVLJTEPE-KMDXXIMOSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001246620252 1037511730 /nfs/dbraw/zinc/51/17/30/1037511730.db2.gz QPJVQVYVLJTEPE-KMDXXIMOSA-N 2 3 397.607 3.712 20 0 GHADHP C[NH+](C)CCOc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488623 841535891 /nfs/dbraw/zinc/53/58/91/841535891.db2.gz QSFCKIPEGJTUBD-HSZRJFAPSA-N 2 3 393.575 3.914 20 0 GHADHP C[NH+](C)CCOc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488623 841535899 /nfs/dbraw/zinc/53/58/99/841535899.db2.gz QSFCKIPEGJTUBD-HSZRJFAPSA-N 2 3 393.575 3.914 20 0 GHADHP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422962081 847905088 /nfs/dbraw/zinc/90/50/88/847905088.db2.gz BWUPCXIBHWSSBF-ISJGIBHGSA-N 2 3 393.575 3.662 20 0 GHADHP C[C@H]1CC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001168025999 859270779 /nfs/dbraw/zinc/27/07/79/859270779.db2.gz KZAGPLJCMXLEPY-PMACEKPBSA-N 2 3 388.644 3.903 20 0 GHADHP C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134973 883190870 /nfs/dbraw/zinc/19/08/70/883190870.db2.gz RUGMDCMQXYTZQT-IRLDBZIGSA-N 2 3 381.564 3.800 20 0 GHADHP C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134973 883190885 /nfs/dbraw/zinc/19/08/85/883190885.db2.gz RUGMDCMQXYTZQT-IRLDBZIGSA-N 2 3 381.564 3.800 20 0 GHADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001172114450 905363221 /nfs/dbraw/zinc/36/32/21/905363221.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 2 3 382.596 3.773 20 0 GHADHP CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001172114450 905363238 /nfs/dbraw/zinc/36/32/38/905363238.db2.gz CJTJSKCZXNXGTE-ZBYYUNFXSA-N 2 3 382.596 3.773 20 0 GHADHP CC1([NH+]2CCCC2)CCN(CCCCN2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000639982625 910765948 /nfs/dbraw/zinc/76/59/48/910765948.db2.gz RTPNEVBEWGRDFO-UHFFFAOYSA-N 2 3 390.660 3.667 20 0 GHADHP Cc1nc2ccc(NC[C@H]3C[N@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2[nH]1 ZINC001162935288 1025972464 /nfs/dbraw/zinc/97/24/64/1025972464.db2.gz QZYPHYRFYHOLLI-FQEVSTJZSA-N 2 3 389.547 3.785 20 0 GHADHP Cc1nc2ccc(NC[C@H]3C[N@@H+](Cc4ccccc4)CC34CC[NH2+]CC4)cc2[nH]1 ZINC001162935288 1025972471 /nfs/dbraw/zinc/97/24/71/1025972471.db2.gz QZYPHYRFYHOLLI-FQEVSTJZSA-N 2 3 389.547 3.785 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246386346 1037346597 /nfs/dbraw/zinc/34/65/97/1037346597.db2.gz IIWOVUNTFYDVMN-UYAOXDASSA-N 2 3 395.513 3.882 20 0 GHADHP C[C@H]1CC([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246411526 1037367501 /nfs/dbraw/zinc/36/75/01/1037367501.db2.gz AFPQOWSJUPHJOE-HOTGVXAUSA-N 2 3 383.502 3.736 20 0 GHADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246432007 1037393890 /nfs/dbraw/zinc/39/38/90/1037393890.db2.gz VNZTVVVUPPJFAT-RBUKOAKNSA-N 2 3 383.502 3.738 20 0 GHADHP CC1(C)[NH2+][C@@H](CCN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)CO1 ZINC001235575754 1040994856 /nfs/dbraw/zinc/99/48/56/1040994856.db2.gz PNAGYNKMRHUNKM-SFHVURJKSA-N 2 3 377.598 3.541 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687574 1043623771 /nfs/dbraw/zinc/62/37/71/1043623771.db2.gz YXGBDQLKWCJABV-DOBXKQIDSA-N 2 3 389.559 3.541 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687574 1043623777 /nfs/dbraw/zinc/62/37/77/1043623777.db2.gz YXGBDQLKWCJABV-DOBXKQIDSA-N 2 3 389.559 3.541 20 0 GHADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000414306658 837006679 /nfs/dbraw/zinc/00/66/79/837006679.db2.gz ONKQBWDSNWIZDH-QPPBQGQZSA-N 2 3 399.623 3.646 20 0 GHADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000414306668 837007400 /nfs/dbraw/zinc/00/74/00/837007400.db2.gz ONKQBWDSNWIZDH-XUZZJYLKSA-N 2 3 399.623 3.646 20 0 GHADHP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420356204 847135859 /nfs/dbraw/zinc/13/58/59/847135859.db2.gz GDKJKEMAZCFXKN-KRWDZBQOSA-N 2 3 383.502 3.991 20 0 GHADHP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420356204 847135865 /nfs/dbraw/zinc/13/58/65/847135865.db2.gz GDKJKEMAZCFXKN-KRWDZBQOSA-N 2 3 383.502 3.991 20 0 GHADHP c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n(-c2ccncc2)n1 ZINC000667688169 864790853 /nfs/dbraw/zinc/79/08/53/864790853.db2.gz HNCGHCPLGYZGQQ-UHFFFAOYSA-N 2 3 387.531 3.755 20 0 GHADHP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n(-c2ccncc2)n1 ZINC000667688169 864790858 /nfs/dbraw/zinc/79/08/58/864790858.db2.gz HNCGHCPLGYZGQQ-UHFFFAOYSA-N 2 3 387.531 3.755 20 0 GHADHP CC(C)[NH2+]C1CCN(CC[Si](C)(C)CCN2CCC([NH2+]C(C)C)CC2)CC1 ZINC000859187072 883647682 /nfs/dbraw/zinc/64/76/82/883647682.db2.gz VLRKPMNSXJYYGN-UHFFFAOYSA-N 2 3 396.740 3.620 20 0 GHADHP CCN1CCN(c2ccc(-c3cccc(C[NH+]4CCC(C[NH3+])CC4)c3)cc2)CC1 ZINC001241745503 1035671580 /nfs/dbraw/zinc/67/15/80/1035671580.db2.gz FTECBEHPJGYUFC-UHFFFAOYSA-N 2 3 392.591 3.666 20 0 GHADHP Fc1cccc([C@H]([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403579 1037360428 /nfs/dbraw/zinc/36/04/28/1037360428.db2.gz HJNNUJZLJKMGRR-TZRRMPRUSA-N 2 3 381.539 3.819 20 0 GHADHP CC(C)[C@@H]1C[C@H](NCC2(c3ccccc3C(F)(F)F)CC[NH2+]CC2)CC[NH2+]1 ZINC001246421275 1037376392 /nfs/dbraw/zinc/37/63/92/1037376392.db2.gz AZCAPFQRFMZLRI-APWZRJJASA-N 2 3 383.502 3.693 20 0 GHADHP C[C@H](CCCC[NH3+])[NH2+]Cc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000422852997 847856211 /nfs/dbraw/zinc/85/62/11/847856211.db2.gz YNQSBTFRLXGGQM-OAQYLSRUSA-N 2 3 380.580 3.616 20 0 GHADHP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245758757 878556469 /nfs/dbraw/zinc/55/64/69/878556469.db2.gz VGIMAKKOUPUEBY-BKFWDETESA-N 2 3 393.575 3.912 20 0 GHADHP C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)C[C@@H](C)O1 ZINC000903062282 922738879 /nfs/dbraw/zinc/73/88/79/922738879.db2.gz QGGIEHUIWOUVGO-BNIXXOQSSA-N 2 3 383.580 3.543 20 0 GHADHP C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)C[C@@H](C)O1 ZINC000903062282 922738899 /nfs/dbraw/zinc/73/88/99/922738899.db2.gz QGGIEHUIWOUVGO-BNIXXOQSSA-N 2 3 383.580 3.543 20 0 GHADHP C[C@@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)C[C@@H](C)O1 ZINC000903062282 922738913 /nfs/dbraw/zinc/73/89/13/922738913.db2.gz QGGIEHUIWOUVGO-BNIXXOQSSA-N 2 3 383.580 3.543 20 0 GHADHP C[C@@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)C[C@@H](C)O1 ZINC000903062282 922738924 /nfs/dbraw/zinc/73/89/24/922738924.db2.gz QGGIEHUIWOUVGO-BNIXXOQSSA-N 2 3 383.580 3.543 20 0 GHADHP CC[NH+]1CCC(C[NH+]2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001208596525 1034949918 /nfs/dbraw/zinc/94/99/18/1034949918.db2.gz RLZKABLSSWTJTB-HXUWFJFHSA-N 2 3 391.625 3.535 20 0 GHADHP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123872 1037203566 /nfs/dbraw/zinc/20/35/66/1037203566.db2.gz VCSCLKABWKIUNH-REWPJTCUSA-N 2 3 395.566 3.848 20 0 GHADHP Fc1ccc([C@H](N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409572 1037365406 /nfs/dbraw/zinc/36/54/06/1037365406.db2.gz XRVYJRXQMHQUMA-SGNDLWITSA-N 2 3 381.539 3.819 20 0 GHADHP Fc1ccc([C@H]([NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409572 1037365421 /nfs/dbraw/zinc/36/54/21/1037365421.db2.gz XRVYJRXQMHQUMA-SGNDLWITSA-N 2 3 381.539 3.819 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)c1 ZINC001246439853 1037402238 /nfs/dbraw/zinc/40/22/38/1037402238.db2.gz VORBMKQQWSGSRD-UHFFFAOYSA-N 2 3 395.513 3.882 20 0 GHADHP CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108647 /nfs/dbraw/zinc/10/86/47/1041108647.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 2 3 375.560 3.943 20 0 GHADHP CC(C)N(C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccc4c(c3)CC[NH2+]C4)C[C@@H]21 ZINC001235659081 1041108660 /nfs/dbraw/zinc/10/86/60/1041108660.db2.gz AKZHEJXMNGCQDB-SDHOMARFSA-N 2 3 375.560 3.943 20 0 GHADHP c1ccc(CN2C[C@@H]3CCC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656537879 857337493 /nfs/dbraw/zinc/33/74/93/857337493.db2.gz GOOBWFCHKPUQNO-GVXSCFBNSA-N 2 3 390.575 3.941 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136182 1037210371 /nfs/dbraw/zinc/21/03/71/1037210371.db2.gz COZAEQBGDLLAPK-HFMPRLQTSA-N 2 3 393.550 3.845 20 0 GHADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)c4ccccc43)CCN2)cc1 ZINC001246256269 1037256598 /nfs/dbraw/zinc/25/65/98/1037256598.db2.gz NVBPSOHMVCYYBP-PQNGQFLHSA-N 2 3 375.560 3.706 20 0 GHADHP COc1ccc(CC2(C[NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC[NH2+]CC2)cc1 ZINC001246386380 1037345979 /nfs/dbraw/zinc/34/59/79/1037345979.db2.gz JAUFRBMLQGOOPT-UHFFFAOYSA-N 2 3 387.612 3.849 20 0 GHADHP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@H]2CCCN(C)CC2)CC3)c1 ZINC001254517424 1040293912 /nfs/dbraw/zinc/29/39/12/1040293912.db2.gz GQTYAKVBRZYJFS-QFIPXVFZSA-N 2 3 385.596 3.858 20 0 GHADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656539834 1043217573 /nfs/dbraw/zinc/21/75/73/1043217573.db2.gz WOYAAVGWARRWBB-TUACAJSNSA-N 2 3 376.548 3.551 20 0 GHADHP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689394 837609763 /nfs/dbraw/zinc/60/97/63/837609763.db2.gz CGQWZHDXOKGRCB-HYBUGGRVSA-N 2 3 385.596 3.652 20 0 GHADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655689394 837609766 /nfs/dbraw/zinc/60/97/66/837609766.db2.gz CGQWZHDXOKGRCB-HYBUGGRVSA-N 2 3 385.596 3.652 20 0 GHADHP C[NH+](C)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315913 845697033 /nfs/dbraw/zinc/69/70/33/845697033.db2.gz UWRLWLAXTXTIBZ-ZEQRLZLVSA-N 2 3 386.628 3.519 20 0 GHADHP CC1CC[NH+](Cc2ccccc2CNCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657310163 845978830 /nfs/dbraw/zinc/97/88/30/845978830.db2.gz MNALCGQGWHRJOF-UHFFFAOYSA-N 2 3 375.520 3.789 20 0 GHADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275632 864385677 /nfs/dbraw/zinc/38/56/77/864385677.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275632 864385697 /nfs/dbraw/zinc/38/56/97/864385697.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000480275632 864385716 /nfs/dbraw/zinc/38/57/16/864385716.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000480275632 864385735 /nfs/dbraw/zinc/38/57/35/864385735.db2.gz DTBWKAWLQKGMMN-PXDATVDWSA-N 2 3 377.576 3.935 20 0 GHADHP CCN1CCC([NH+](C)Cc2ccc(C[N@@H+](C)C3CCN(CC)CC3)cc2)CC1 ZINC000157415674 868649219 /nfs/dbraw/zinc/64/92/19/868649219.db2.gz SDBVKGMQPMIXRY-UHFFFAOYSA-N 2 3 386.628 3.519 20 0 GHADHP CCN1CCC([NH+](C)Cc2ccc(C[N@H+](C)C3CCN(CC)CC3)cc2)CC1 ZINC000157415674 868649222 /nfs/dbraw/zinc/64/92/22/868649222.db2.gz SDBVKGMQPMIXRY-UHFFFAOYSA-N 2 3 386.628 3.519 20 0 GHADHP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122461 1037201568 /nfs/dbraw/zinc/20/15/68/1037201568.db2.gz QSNYZPAYRKGCNK-PZJWPPBQSA-N 2 3 389.653 3.998 20 0 GHADHP c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656539835 1043218041 /nfs/dbraw/zinc/21/80/41/1043218041.db2.gz WOYAAVGWARRWBB-ZTCOLXNVSA-N 2 3 376.548 3.551 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001308202272 1049911047 /nfs/dbraw/zinc/91/10/47/1049911047.db2.gz FHQPMXXLZMERPI-QFIPXVFZSA-N 2 3 386.628 3.963 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001308202272 1049911051 /nfs/dbraw/zinc/91/10/51/1049911051.db2.gz FHQPMXXLZMERPI-QFIPXVFZSA-N 2 3 386.628 3.963 20 0 GHADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849059332 1057570864 /nfs/dbraw/zinc/57/08/64/1057570864.db2.gz KGLUBQCDYGMZRW-OYRHEFFESA-N 2 3 399.627 3.523 20 0 GHADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849059332 1057570871 /nfs/dbraw/zinc/57/08/71/1057570871.db2.gz KGLUBQCDYGMZRW-OYRHEFFESA-N 2 3 399.627 3.523 20 0 GHADHP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422962080 847904773 /nfs/dbraw/zinc/90/47/73/847904773.db2.gz BWUPCXIBHWSSBF-DSNGMDLFSA-N 2 3 393.575 3.662 20 0 GHADHP CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168318796 886147454 /nfs/dbraw/zinc/14/74/54/886147454.db2.gz GTXJPRNZAYZCEI-MHJFOBGBSA-N 2 3 391.625 3.676 20 0 GHADHP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000902503755 922243169 /nfs/dbraw/zinc/24/31/69/922243169.db2.gz JYYAHZYRNPDWHQ-ANJVHQHFSA-N 2 3 395.547 3.534 20 0 GHADHP CCN1CCN(c2ccc(-c3ccc(C[NH+]4CCC(C[NH3+])CC4)cc3)cc2)CC1 ZINC001241745589 1035671772 /nfs/dbraw/zinc/67/17/72/1035671772.db2.gz KEQVYSZSGDRYFQ-UHFFFAOYSA-N 2 3 392.591 3.666 20 0 GHADHP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC001246144960 1037214061 /nfs/dbraw/zinc/21/40/61/1037214061.db2.gz CKGUSTOLKVGDTG-BPRPSZBZSA-N 2 3 375.560 3.807 20 0 GHADHP Fc1cccc(CC2(C[NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379086 1037337845 /nfs/dbraw/zinc/33/78/45/1037337845.db2.gz KSERKDVCOZFNJE-ZEQRLZLVSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246386342 1037345782 /nfs/dbraw/zinc/34/57/82/1037345782.db2.gz IIWOVUNTFYDVMN-AZUAARDMSA-N 2 3 395.513 3.882 20 0 GHADHP FC(F)(F)c1cccc(CC2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246412102 1037367576 /nfs/dbraw/zinc/36/75/76/1037367576.db2.gz GCQJFYCTBBELDE-LJQANCHMSA-N 2 3 395.513 3.882 20 0 GHADHP CC(C)CN1CCC([NH2+]CC2(Cc3ccc(Cl)cc3)CC[NH2+]CC2)CC1 ZINC001246412576 1037369197 /nfs/dbraw/zinc/36/91/97/1037369197.db2.gz IFYFWNLCEWWFQQ-UHFFFAOYSA-N 2 3 378.004 3.962 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246432521 1037393507 /nfs/dbraw/zinc/39/35/07/1037393507.db2.gz BJKYPWXBSQJOJX-LJQANCHMSA-N 2 3 395.513 3.882 20 0 GHADHP NC1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246435737 1037399634 /nfs/dbraw/zinc/39/96/34/1037399634.db2.gz KRFKXSJKCHEBNM-QUCCMNQESA-N 2 3 395.513 3.964 20 0 GHADHP NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246436076 1037399930 /nfs/dbraw/zinc/39/99/30/1037399930.db2.gz JGBHCXPZSYZJGQ-VQTJNVASSA-N 2 3 395.513 3.964 20 0 GHADHP CCN(CC)CC[C@H](C)[N@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951738 1041432659 /nfs/dbraw/zinc/43/26/59/1041432659.db2.gz JZBANZHMNNVSPW-NYVOZVTQSA-N 2 3 389.584 3.666 20 0 GHADHP CCN(CC)CC[C@H](C)[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951738 1041432679 /nfs/dbraw/zinc/43/26/79/1041432679.db2.gz JZBANZHMNNVSPW-NYVOZVTQSA-N 2 3 389.584 3.666 20 0 GHADHP CC[NH+](CC)CC[C@H](C)N(Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951738 1041432684 /nfs/dbraw/zinc/43/26/84/1041432684.db2.gz JZBANZHMNNVSPW-NYVOZVTQSA-N 2 3 389.584 3.666 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001308202259 1049911026 /nfs/dbraw/zinc/91/10/26/1049911026.db2.gz FHQPMXXLZMERPI-JOCHJYFZSA-N 2 3 386.628 3.963 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC001308202259 1049911033 /nfs/dbraw/zinc/91/10/33/1049911033.db2.gz FHQPMXXLZMERPI-JOCHJYFZSA-N 2 3 386.628 3.963 20 0 GHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692812 837676853 /nfs/dbraw/zinc/67/68/53/837676853.db2.gz VJQDLKUTMWQBBG-TYBLODHISA-N 2 3 399.623 3.898 20 0 GHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)C1 ZINC000655692812 837676848 /nfs/dbraw/zinc/67/68/48/837676848.db2.gz VJQDLKUTMWQBBG-TYBLODHISA-N 2 3 399.623 3.898 20 0 GHADHP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250325 840942051 /nfs/dbraw/zinc/94/20/51/840942051.db2.gz DCFROPRMCHSMKO-HSZRJFAPSA-N 2 3 393.575 3.914 20 0 GHADHP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250325 840942055 /nfs/dbraw/zinc/94/20/55/840942055.db2.gz DCFROPRMCHSMKO-HSZRJFAPSA-N 2 3 393.575 3.914 20 0 GHADHP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420356205 847136183 /nfs/dbraw/zinc/13/61/83/847136183.db2.gz GDKJKEMAZCFXKN-QGZVFWFLSA-N 2 3 383.502 3.991 20 0 GHADHP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420356205 847136185 /nfs/dbraw/zinc/13/61/85/847136185.db2.gz GDKJKEMAZCFXKN-QGZVFWFLSA-N 2 3 383.502 3.991 20 0 GHADHP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245729277 878491122 /nfs/dbraw/zinc/49/11/22/878491122.db2.gz PXCUIXWBBOQKIS-JOZNFPNDSA-N 2 3 393.575 3.912 20 0 GHADHP FC(F)(F)c1ccc(C2(N[C@@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)cc1 ZINC001246421829 1037378390 /nfs/dbraw/zinc/37/83/90/1037378390.db2.gz IRYVHPNRMXNXAK-GOSISDBHSA-N 2 3 381.486 3.796 20 0 GHADHP FC(F)(F)CCC[N@@H+]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001279275519 1047753616 /nfs/dbraw/zinc/75/36/16/1047753616.db2.gz SBQKZNWAWHENHG-UHFFFAOYSA-N 2 3 375.523 3.993 20 0 GHADHP FC(F)(F)CCC[N@H+]1CCC2(C1)CC[NH+](CCCN1CCCCC1)CC2 ZINC001279275519 1047753619 /nfs/dbraw/zinc/75/36/19/1047753619.db2.gz SBQKZNWAWHENHG-UHFFFAOYSA-N 2 3 375.523 3.993 20 0 GHADHP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250326 840942285 /nfs/dbraw/zinc/94/22/85/840942285.db2.gz DCFROPRMCHSMKO-QHCPKHFHSA-N 2 3 393.575 3.914 20 0 GHADHP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000581250326 840942291 /nfs/dbraw/zinc/94/22/91/840942291.db2.gz DCFROPRMCHSMKO-QHCPKHFHSA-N 2 3 393.575 3.914 20 0 GHADHP C[NH+](C)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152387 844870619 /nfs/dbraw/zinc/87/06/19/844870619.db2.gz JQUTZWGSLNEWLY-PSWAGMNNSA-N 2 3 386.628 3.519 20 0 GHADHP C[NH+](C)[C@@H]1CCCN(Cc2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000277315907 845696894 /nfs/dbraw/zinc/69/68/94/845696894.db2.gz UWRLWLAXTXTIBZ-PSWAGMNNSA-N 2 3 386.628 3.519 20 0 GHADHP CN(c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337844 /nfs/dbraw/zinc/33/78/44/862337844.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 2 3 396.623 3.666 20 0 GHADHP CN(c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000180784425 862337863 /nfs/dbraw/zinc/33/78/63/862337863.db2.gz IVZWZICTCHWKIH-PXDATVDWSA-N 2 3 396.623 3.666 20 0 GHADHP Cc1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989331 854017221 /nfs/dbraw/zinc/01/72/21/854017221.db2.gz XMUBOYHAWDFQEG-DYYNAXKSSA-N 2 3 379.592 3.764 20 0 GHADHP Cc1ccc(C[NH+]2C[C@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@@H]3C2)cc1 ZINC001167989331 854017223 /nfs/dbraw/zinc/01/72/23/854017223.db2.gz XMUBOYHAWDFQEG-DYYNAXKSSA-N 2 3 379.592 3.764 20 0 GHADHP C[C@@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463129484 870944525 /nfs/dbraw/zinc/94/45/25/870944525.db2.gz CVSIQGLVHYJYPO-OFNKIYASSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129484 870944543 /nfs/dbraw/zinc/94/45/43/870944543.db2.gz CVSIQGLVHYJYPO-OFNKIYASSA-N 2 3 381.564 3.770 20 0 GHADHP c1ccc(CN2CCCC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000448549754 873590360 /nfs/dbraw/zinc/59/03/60/873590360.db2.gz HHSNOIUDKYCOIV-QFIPXVFZSA-N 2 3 378.564 3.942 20 0 GHADHP COCCCN1CCC([NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)CC1 ZINC001172250674 905447696 /nfs/dbraw/zinc/44/76/96/905447696.db2.gz DUAYVDCRMFDXKH-UHFFFAOYSA-N 2 3 391.625 3.537 20 0 GHADHP COCCCN1CCC([NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)CC1 ZINC001172250674 905447705 /nfs/dbraw/zinc/44/77/05/905447705.db2.gz DUAYVDCRMFDXKH-UHFFFAOYSA-N 2 3 391.625 3.537 20 0 GHADHP Cc1c2[nH]cnc2ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933765 1025972254 /nfs/dbraw/zinc/97/22/54/1025972254.db2.gz HXKXUTUXTGITAN-HXUWFJFHSA-N 2 3 389.547 3.785 20 0 GHADHP Cc1c2[nH]cnc2ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933765 1025972260 /nfs/dbraw/zinc/97/22/60/1025972260.db2.gz HXKXUTUXTGITAN-HXUWFJFHSA-N 2 3 389.547 3.785 20 0 GHADHP Clc1ccc(C2(C[NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246341290 1037304561 /nfs/dbraw/zinc/30/45/61/1037304561.db2.gz OYNGXSXGYVDWAR-PKTZIBPZSA-N 2 3 397.994 3.914 20 0 GHADHP Clc1ccc(CC2([NH2+]C3CCC4(CCC[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246390356 1037349289 /nfs/dbraw/zinc/34/92/89/1037349289.db2.gz KKEUAQHLNXRJJH-UHFFFAOYSA-N 2 3 375.988 3.907 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+][C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246434663 1037395427 /nfs/dbraw/zinc/39/54/27/1037395427.db2.gz HLJDDFAKTDWJJL-VQTJNVASSA-N 2 3 395.513 3.882 20 0 GHADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255133140 1040832192 /nfs/dbraw/zinc/83/21/92/1040832192.db2.gz ZNJPCXYWWSAEJV-KOUNCHBCSA-N 2 3 386.628 3.657 20 0 GHADHP CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC001235481862 1040956510 /nfs/dbraw/zinc/95/65/10/1040956510.db2.gz GUAYRADJNHOKFD-HSZRJFAPSA-N 2 3 379.548 3.802 20 0 GHADHP CCN(CC)CC[C@@H](C)[N@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951755 1041432791 /nfs/dbraw/zinc/43/27/91/1041432791.db2.gz JZBANZHMNNVSPW-STZQEDGTSA-N 2 3 389.584 3.666 20 0 GHADHP CCN(CC)CC[C@@H](C)[N@@H+](Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951755 1041432798 /nfs/dbraw/zinc/43/27/98/1041432798.db2.gz JZBANZHMNNVSPW-STZQEDGTSA-N 2 3 389.584 3.666 20 0 GHADHP CC[NH+](CC)CC[C@@H](C)N(Cc1ccc(C(=O)OC)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951755 1041432803 /nfs/dbraw/zinc/43/28/03/1041432803.db2.gz JZBANZHMNNVSPW-STZQEDGTSA-N 2 3 389.584 3.666 20 0 GHADHP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000414308433 837024558 /nfs/dbraw/zinc/02/45/58/837024558.db2.gz QDESFZPQZKOLMT-QPPBQGQZSA-N 2 3 399.623 3.646 20 0 GHADHP C[NH+](C)C1CCC(N2CCC([NH3+])(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC001168305273 885510731 /nfs/dbraw/zinc/51/07/31/885510731.db2.gz GKROHSZFBAATMC-UHFFFAOYSA-N 2 3 383.502 3.914 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485427 898705176 /nfs/dbraw/zinc/70/51/76/898705176.db2.gz PIAWOYODVHTWPF-ICDZXHCJSA-N 2 3 399.623 3.768 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485427 898705183 /nfs/dbraw/zinc/70/51/83/898705183.db2.gz PIAWOYODVHTWPF-ICDZXHCJSA-N 2 3 399.623 3.768 20 0 GHADHP c1cc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc(C[NH+]2CCCCC2)c1 ZINC000411293274 926280953 /nfs/dbraw/zinc/28/09/53/926280953.db2.gz AICFWOYKISDSPC-UHFFFAOYSA-N 2 3 385.596 3.749 20 0 GHADHP FC(F)(F)c1ccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246435958 1037399347 /nfs/dbraw/zinc/39/93/47/1037399347.db2.gz SZBUEOWLVSMDTD-ACDBMABISA-N 2 3 395.513 3.880 20 0 GHADHP Clc1ccccc1C1(C[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246451347 1037412694 /nfs/dbraw/zinc/41/26/94/1037412694.db2.gz MNWYBYGQOJXMTH-RTWAWAEBSA-N 2 3 397.994 3.914 20 0 GHADHP Fc1ccc(CN(C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246953484 1037760405 /nfs/dbraw/zinc/76/04/05/1037760405.db2.gz ALXLHCWFRFEFLE-UHFFFAOYSA-N 2 3 377.523 3.831 20 0 GHADHP Fc1ccc(C[N@H+](C2CCNCC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246953484 1037760426 /nfs/dbraw/zinc/76/04/26/1037760426.db2.gz ALXLHCWFRFEFLE-UHFFFAOYSA-N 2 3 377.523 3.831 20 0 GHADHP Fc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246953484 1037760453 /nfs/dbraw/zinc/76/04/53/1037760453.db2.gz ALXLHCWFRFEFLE-UHFFFAOYSA-N 2 3 377.523 3.831 20 0 GHADHP c1ccc(C[NH+]2CCCC3(CCCC[N@@H+](CC[C@@H]4CNCCO4)C3)CCC2)cc1 ZINC001235177569 1040667883 /nfs/dbraw/zinc/66/78/83/1040667883.db2.gz QPKHDBRREXUDEV-XMMPIXPASA-N 2 3 399.623 3.913 20 0 GHADHP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](CC[C@@H]4CNCCO4)C3)CCC2)cc1 ZINC001235177569 1040667891 /nfs/dbraw/zinc/66/78/91/1040667891.db2.gz QPKHDBRREXUDEV-XMMPIXPASA-N 2 3 399.623 3.913 20 0 GHADHP CN1[C@@H]2CCC[C@H]1CC([NH+]1CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001255675917 1041207894 /nfs/dbraw/zinc/20/78/94/1041207894.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 2 3 382.596 3.773 20 0 GHADHP CN1[C@@H]2CCC[C@H]1CC([NH+]1CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001255675917 1041207907 /nfs/dbraw/zinc/20/79/07/1041207907.db2.gz CJTJSKCZXNXGTE-CBQGHPETSA-N 2 3 382.596 3.773 20 0 GHADHP c1ccc(C[NH+]2CCC(C[N@@H+]3Cc4ccccc4C34CCNCC4)CC2)cc1 ZINC001237300635 1042132911 /nfs/dbraw/zinc/13/29/11/1042132911.db2.gz OWHIYUOYOCHHNS-UHFFFAOYSA-N 2 3 375.560 3.993 20 0 GHADHP c1ccc(C[NH+]2CCC(C[N@H+]3Cc4ccccc4C34CCNCC4)CC2)cc1 ZINC001237300635 1042132913 /nfs/dbraw/zinc/13/29/13/1042132913.db2.gz OWHIYUOYOCHHNS-UHFFFAOYSA-N 2 3 375.560 3.993 20 0 GHADHP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000414308436 837025006 /nfs/dbraw/zinc/02/50/06/837025006.db2.gz QDESFZPQZKOLMT-ZJSXRUAMSA-N 2 3 399.623 3.646 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000123997689 902009630 /nfs/dbraw/zinc/00/96/30/902009630.db2.gz ADHCUAMAKUFHPW-FAYOUJPWSA-N 2 3 386.628 3.516 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000123997689 902009644 /nfs/dbraw/zinc/00/96/44/902009644.db2.gz ADHCUAMAKUFHPW-FAYOUJPWSA-N 2 3 386.628 3.516 20 0 GHADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975203 905221174 /nfs/dbraw/zinc/22/11/74/905221174.db2.gz LUTNWGLRQFYXAK-OAQYLSRUSA-N 2 3 388.644 3.905 20 0 GHADHP FC(F)(F)c1ccc(C2(N[C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246419001 1037374805 /nfs/dbraw/zinc/37/48/05/1037374805.db2.gz BVVWAOJWSFZJEK-MOPGFXCFSA-N 2 3 381.486 3.796 20 0 GHADHP FC(F)(F)c1ccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246420011 1037376784 /nfs/dbraw/zinc/37/67/84/1037376784.db2.gz VPQFCRAIIGURFG-REPLKXPHSA-N 2 3 381.486 3.589 20 0 GHADHP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+][C@H]3CC34CNC4)CC2)cc1 ZINC001246441859 1037404504 /nfs/dbraw/zinc/40/45/04/1037404504.db2.gz AISPVKDGBYIZQF-VHYCJAOWSA-N 2 3 375.560 3.952 20 0 GHADHP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N[C@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001246441859 1037404512 /nfs/dbraw/zinc/40/45/12/1037404512.db2.gz AISPVKDGBYIZQF-VHYCJAOWSA-N 2 3 375.560 3.952 20 0 GHADHP CN(Cc1ccccc1)C[C@@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020962 /nfs/dbraw/zinc/02/09/62/1069020962.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 3 377.576 3.786 20 0 GHADHP CN(Cc1ccccc1)C[C@@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020971 /nfs/dbraw/zinc/02/09/71/1069020971.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 3 377.576 3.786 20 0 GHADHP CN(Cc1ccccc1)C[C@@H](C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020986 /nfs/dbraw/zinc/02/09/86/1069020986.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 3 377.576 3.786 20 0 GHADHP CN(Cc1ccccc1)C[C@@H](C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460603961 1069020998 /nfs/dbraw/zinc/02/09/98/1069020998.db2.gz LGGMUPPOQPTVNP-DSITVLBTSA-N 2 3 377.576 3.786 20 0 GHADHP C[NH+](C)[C@@H]1CCCN(Cc2ccccc2CN2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000277315898 845696542 /nfs/dbraw/zinc/69/65/42/845696542.db2.gz UWRLWLAXTXTIBZ-DNQXCXABSA-N 2 3 386.628 3.519 20 0 GHADHP Cc1cccc(N2CC[NH+](CCCCN[C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422805471 847831400 /nfs/dbraw/zinc/83/14/00/847831400.db2.gz GZLLJHZQBJPYLM-BJKOFHAPSA-N 2 3 378.564 3.632 20 0 GHADHP C[C@@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130678 870949849 /nfs/dbraw/zinc/94/98/49/870949849.db2.gz HILLOFZQFOLRDU-NFBKMPQASA-N 2 3 381.564 3.770 20 0 GHADHP C[C@@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130678 870949857 /nfs/dbraw/zinc/94/98/57/870949857.db2.gz HILLOFZQFOLRDU-NFBKMPQASA-N 2 3 381.564 3.770 20 0 GHADHP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1 ZINC000245758764 878555553 /nfs/dbraw/zinc/55/55/53/878555553.db2.gz VGIMAKKOUPUEBY-JOZNFPNDSA-N 2 3 393.575 3.912 20 0 GHADHP CSC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)CC[NH+](C)CC1 ZINC000571695229 899947567 /nfs/dbraw/zinc/94/75/67/899947567.db2.gz SKAHKFUDIODXJB-YPAWHYETSA-N 2 3 387.637 3.704 20 0 GHADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171975192 905220499 /nfs/dbraw/zinc/22/04/99/905220499.db2.gz LUTNWGLRQFYXAK-NRFANRHFSA-N 2 3 388.644 3.905 20 0 GHADHP C[C@H](CCN1CCC(C)([NH+]2CCCC2)CC1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982104 910765215 /nfs/dbraw/zinc/76/52/15/910765215.db2.gz FXPWVXIVDJBYBE-JOCHJYFZSA-N 2 3 390.660 3.666 20 0 GHADHP CC(C)CN1CCC([NH2+]CC2(Cc3ccccc3Cl)CC[NH2+]CC2)CC1 ZINC001246373645 1037329796 /nfs/dbraw/zinc/32/97/96/1037329796.db2.gz ZKSCZCIVKYFEBM-UHFFFAOYSA-N 2 3 378.004 3.962 20 0 GHADHP NC1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246435738 1037400122 /nfs/dbraw/zinc/40/01/22/1037400122.db2.gz KRFKXSJKCHEBNM-UYAOXDASSA-N 2 3 395.513 3.964 20 0 GHADHP C([NH2+]C1CCC(N2CCOCC2)CC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001256681405 1043619536 /nfs/dbraw/zinc/61/95/36/1043619536.db2.gz TVXSJQHCFWCTKV-UHFFFAOYSA-N 2 3 377.617 3.512 20 0 GHADHP [NH3+]C1(Cc2ccccc2Cl)CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852922 1043701738 /nfs/dbraw/zinc/70/17/38/1043701738.db2.gz KXIVGEDJMSPMAC-UHFFFAOYSA-N 2 3 384.955 3.740 20 0 GHADHP c1cc(C[NH+]2CCCCCC2)ccc1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703986 837693325 /nfs/dbraw/zinc/69/33/25/837693325.db2.gz OSTAINIVPJFKCW-DEOSSOPVSA-N 2 3 385.596 3.796 20 0 GHADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428224291 857205533 /nfs/dbraw/zinc/20/55/33/857205533.db2.gz CJDNVAAZMSBPAL-ZFFYZDHPSA-N 2 3 399.623 3.504 20 0 GHADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428224291 857205543 /nfs/dbraw/zinc/20/55/43/857205543.db2.gz CJDNVAAZMSBPAL-ZFFYZDHPSA-N 2 3 399.623 3.504 20 0 GHADHP CC[C@@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCCN1CCCCC1 ZINC000444609297 866946062 /nfs/dbraw/zinc/94/60/62/866946062.db2.gz MMQRXQUPTGHYEM-DNQXCXABSA-N 2 3 392.676 3.771 20 0 GHADHP CC[C@@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCCN1CCCCC1 ZINC000444609297 866946072 /nfs/dbraw/zinc/94/60/72/866946072.db2.gz MMQRXQUPTGHYEM-DNQXCXABSA-N 2 3 392.676 3.771 20 0 GHADHP CCC[NH+]1CCN(c2ccccc2CNCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000236803082 882614317 /nfs/dbraw/zinc/61/43/17/882614317.db2.gz NJLNEASLZVUHGQ-UHFFFAOYSA-N 2 3 394.607 3.960 20 0 GHADHP CCC[NH+]1CCN(c2ccccc2CNCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000236803082 882614326 /nfs/dbraw/zinc/61/43/26/882614326.db2.gz NJLNEASLZVUHGQ-UHFFFAOYSA-N 2 3 394.607 3.960 20 0 GHADHP CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000809738845 887775417 /nfs/dbraw/zinc/77/54/17/887775417.db2.gz MLYKHRIZKPNKRZ-UHFFFAOYSA-N 2 3 394.607 3.911 20 0 GHADHP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123234 1037203258 /nfs/dbraw/zinc/20/32/58/1037203258.db2.gz UKHAGUDLSRAFPN-GIWBLDEGSA-N 2 3 387.612 3.672 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141550 1037212897 /nfs/dbraw/zinc/21/28/97/1037212897.db2.gz PYJMQVXEYBJMCI-PTUXOGIPSA-N 2 3 379.523 3.975 20 0 GHADHP FC(F)(F)c1ccccc1CC1(C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246431239 1037393205 /nfs/dbraw/zinc/39/32/05/1037393205.db2.gz CZLLRTFRCRVNED-SFHVURJKSA-N 2 3 395.513 3.882 20 0 GHADHP FC(F)(F)c1ccccc1CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246435035 1037396370 /nfs/dbraw/zinc/39/63/70/1037396370.db2.gz RRYFGDVNXNBCJO-REPLKXPHSA-N 2 3 395.513 3.880 20 0 GHADHP C[NH+]1CCC(C)(C[N@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001236378384 1041689686 /nfs/dbraw/zinc/68/96/86/1041689686.db2.gz ZIFXJOMFZJAKNU-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP C[NH+]1CCC(C)(C[N@@H+](Cc2ccc(Br)cc2)C2CCNCC2)CC1 ZINC001236378384 1041689693 /nfs/dbraw/zinc/68/96/93/1041689693.db2.gz ZIFXJOMFZJAKNU-UHFFFAOYSA-N 2 3 394.401 3.735 20 0 GHADHP C[C@@H]1CC([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C[C@@H](C)N1Cc1ccccc1 ZINC001168026017 859274045 /nfs/dbraw/zinc/27/40/45/859274045.db2.gz KZAGPLJCMXLEPY-WOJBJXKFSA-N 2 3 388.644 3.903 20 0 GHADHP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134961 883191342 /nfs/dbraw/zinc/19/13/42/883191342.db2.gz RUGMDCMQXYTZQT-UNMCSNQZSA-N 2 3 381.564 3.800 20 0 GHADHP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134961 883191347 /nfs/dbraw/zinc/19/13/47/883191347.db2.gz RUGMDCMQXYTZQT-UNMCSNQZSA-N 2 3 381.564 3.800 20 0 GHADHP CSC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC[NH+](C)CC1 ZINC000571695228 899947838 /nfs/dbraw/zinc/94/78/38/899947838.db2.gz SKAHKFUDIODXJB-FDFHNCONSA-N 2 3 387.637 3.704 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325672 /nfs/dbraw/zinc/32/56/72/933325672.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 2 3 399.623 3.768 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538948 933325683 /nfs/dbraw/zinc/32/56/83/933325683.db2.gz YBISYOHPBQTJAQ-RVFVQDDPSA-N 2 3 399.623 3.768 20 0 GHADHP c1ccc2c(c1)CC[N@@H+](CCCNCc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000642197560 1021087262 /nfs/dbraw/zinc/08/72/62/1021087262.db2.gz BTZCMDWEVNRZNC-UHFFFAOYSA-N 2 3 393.575 3.699 20 0 GHADHP c1ccc2c(c1)CC[N@H+](CCCNCc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000642197560 1021087270 /nfs/dbraw/zinc/08/72/70/1021087270.db2.gz BTZCMDWEVNRZNC-UHFFFAOYSA-N 2 3 393.575 3.699 20 0 GHADHP C[NH+]1CCC(C)(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222577306 1030207462 /nfs/dbraw/zinc/20/74/62/1030207462.db2.gz XVXCKSBJFHNASU-JOCHJYFZSA-N 2 3 385.596 3.522 20 0 GHADHP C[NH+]1CCC(C)(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222577306 1030207479 /nfs/dbraw/zinc/20/74/79/1030207479.db2.gz XVXCKSBJFHNASU-JOCHJYFZSA-N 2 3 385.596 3.522 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246618716 1037509885 /nfs/dbraw/zinc/50/98/85/1037509885.db2.gz KBTPODDJNRLBJO-PKTZIBPZSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246618716 1037509908 /nfs/dbraw/zinc/50/99/08/1037509908.db2.gz KBTPODDJNRLBJO-PKTZIBPZSA-N 2 3 397.607 3.712 20 0 GHADHP Fc1ccccc1CN1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256852838 1043702129 /nfs/dbraw/zinc/70/21/29/1043702129.db2.gz IRJBCCRHEIEWJF-UHFFFAOYSA-N 2 3 382.527 3.691 20 0 GHADHP C[C@H]1CCC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689395 837609446 /nfs/dbraw/zinc/60/94/46/837609446.db2.gz CGQWZHDXOKGRCB-RDPSFJRHSA-N 2 3 385.596 3.652 20 0 GHADHP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689395 837609454 /nfs/dbraw/zinc/60/94/54/837609454.db2.gz CGQWZHDXOKGRCB-RDPSFJRHSA-N 2 3 385.596 3.652 20 0 GHADHP CC(C)(C)N1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000178284012 879069370 /nfs/dbraw/zinc/06/93/70/879069370.db2.gz QNOHDMTWGYGMMV-UHFFFAOYSA-N 2 3 387.612 3.910 20 0 GHADHP CC1(C)C[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246417756 1037372959 /nfs/dbraw/zinc/37/29/59/1037372959.db2.gz WVWKQRUJVIUVHQ-SFHVURJKSA-N 2 3 383.502 3.738 20 0 GHADHP FC(F)(F)c1cccc(C2(N[C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246430865 1037390665 /nfs/dbraw/zinc/39/06/65/1037390665.db2.gz PZETZACSOSYIOV-OALUTQOASA-N 2 3 381.486 3.796 20 0 GHADHP Cc1nc(C2CC[NH2+]CC2)sc1CN(Cc1cccnc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565157 1041764909 /nfs/dbraw/zinc/76/49/09/1041764909.db2.gz WSGVPLJHRWYINO-MXVIHJGJSA-N 2 3 399.608 3.586 20 0 GHADHP C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134994 883191107 /nfs/dbraw/zinc/19/11/07/883191107.db2.gz RUGMDCMQXYTZQT-IFMALSPDSA-N 2 3 381.564 3.800 20 0 GHADHP C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000195134994 883191109 /nfs/dbraw/zinc/19/11/09/883191109.db2.gz RUGMDCMQXYTZQT-IFMALSPDSA-N 2 3 381.564 3.800 20 0 GHADHP CSC1(C[NH2+][C@@H]2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)CC[NH+](C)CC1 ZINC000571695227 899947474 /nfs/dbraw/zinc/94/74/74/899947474.db2.gz SKAHKFUDIODXJB-BHIFYINESA-N 2 3 387.637 3.704 20 0 GHADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001172114449 905363593 /nfs/dbraw/zinc/36/35/93/905363593.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 2 3 382.596 3.773 20 0 GHADHP CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC1)C2 ZINC001172114449 905363639 /nfs/dbraw/zinc/36/36/39/905363639.db2.gz CJTJSKCZXNXGTE-KOUNCHBCSA-N 2 3 382.596 3.773 20 0 GHADHP [NH3+]C1CCN(c2cccc(N[C@H](CC3CC[NH2+]CC3)c3ccccc3F)n2)CC1 ZINC001162236290 1025684174 /nfs/dbraw/zinc/68/41/74/1025684174.db2.gz MFEATJJABKYNMG-OAQYLSRUSA-N 2 3 397.542 3.691 20 0 GHADHP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246382233 1037343096 /nfs/dbraw/zinc/34/30/96/1037343096.db2.gz ZYOSVNXTAUWVBE-BWTSREIZSA-N 2 3 381.486 3.589 20 0 GHADHP Fc1ccc(CC2(C[NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384687 1037344864 /nfs/dbraw/zinc/34/48/64/1037344864.db2.gz OJOULILWOHCHOM-RPWUZVMVSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1ccc(C2(NC3CCC4(CC[NH2+]C4)CC3)CC[NH2+]CC2)cc1 ZINC001246423950 1037380209 /nfs/dbraw/zinc/38/02/09/1037380209.db2.gz RZRXBFVOIDWBAF-UHFFFAOYSA-N 2 3 381.486 3.796 20 0 GHADHP Fc1ccccc1CC1(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246431659 1037394373 /nfs/dbraw/zinc/39/43/73/1037394373.db2.gz FTLQPOTWDYBRTM-DHIUTWEWSA-N 2 3 395.566 3.691 20 0 GHADHP CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1ccc3c(c1)CC[NH2+]C3)CC2 ZINC001235481534 1040954949 /nfs/dbraw/zinc/95/49/49/1040954949.db2.gz CSBOIIAPSXRACG-QHCPKHFHSA-N 2 3 379.548 3.802 20 0 GHADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001474759458 1074548155 /nfs/dbraw/zinc/54/81/55/1074548155.db2.gz MNYQZQHHRYBXQX-BWKNWUBXSA-N 2 3 398.639 3.614 20 0 GHADHP CC(CCN1CCC([NH+]2CCCC2)CC1)CCN1CCC([NH+]2CCCC2)CC1 ZINC000411170586 845046642 /nfs/dbraw/zinc/04/66/42/845046642.db2.gz BHEWOOMKBSEBIZ-UHFFFAOYSA-N 2 3 390.660 3.523 20 0 GHADHP C[NH+](C)C1CCC(N2CCC([NH3+])(Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001168304973 885479826 /nfs/dbraw/zinc/47/98/26/885479826.db2.gz DPMFHJMDKGOQCH-UHFFFAOYSA-N 2 3 383.502 3.914 20 0 GHADHP C[NH+](C)C1CCC(N2CCC([NH3+])(Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC001168305340 885514799 /nfs/dbraw/zinc/51/47/99/885514799.db2.gz IIUHTGBJJRQZRW-UHFFFAOYSA-N 2 3 383.502 3.914 20 0 GHADHP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124144 932056884 /nfs/dbraw/zinc/05/68/84/932056884.db2.gz HCRYGJAQFQZSPH-DVECYGJZSA-N 2 3 381.564 3.556 20 0 GHADHP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124144 932056891 /nfs/dbraw/zinc/05/68/91/932056891.db2.gz HCRYGJAQFQZSPH-DVECYGJZSA-N 2 3 381.564 3.556 20 0 GHADHP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124145 932057155 /nfs/dbraw/zinc/05/71/55/932057155.db2.gz HCRYGJAQFQZSPH-NTKDMRAZSA-N 2 3 381.564 3.556 20 0 GHADHP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124145 932057161 /nfs/dbraw/zinc/05/71/61/932057161.db2.gz HCRYGJAQFQZSPH-NTKDMRAZSA-N 2 3 381.564 3.556 20 0 GHADHP Clc1ccccc1CC1([NH2+]C2CCC3(CCC[NH2+]C3)CC2)CCNCC1 ZINC001246380514 1037339718 /nfs/dbraw/zinc/33/97/18/1037339718.db2.gz HSGPYRHUIVXYAO-UHFFFAOYSA-N 2 3 375.988 3.907 20 0 GHADHP NC1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246439044 1037402188 /nfs/dbraw/zinc/40/21/88/1037402188.db2.gz RJTGQWJIRKRCKK-WOJBJXKFSA-N 2 3 395.513 3.964 20 0 GHADHP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690145 837680285 /nfs/dbraw/zinc/68/02/85/837680285.db2.gz XKXQTYBZJAYFFL-GBXCKJPGSA-N 2 3 385.596 3.794 20 0 GHADHP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690145 837680290 /nfs/dbraw/zinc/68/02/90/837680290.db2.gz XKXQTYBZJAYFFL-GBXCKJPGSA-N 2 3 385.596 3.794 20 0 GHADHP C[NH+](C)[C@H]1CCCN(Cc2ccc(CN3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152392 844870751 /nfs/dbraw/zinc/87/07/51/844870751.db2.gz JQUTZWGSLNEWLY-ZEQRLZLVSA-N 2 3 386.628 3.519 20 0 GHADHP [NH3+]CC1CCC([NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)CC1 ZINC000422842165 847846407 /nfs/dbraw/zinc/84/64/07/847846407.db2.gz FCXLIKUGHOZPGN-UHFFFAOYSA-N 2 3 392.591 3.616 20 0 GHADHP C[C@@H]1C[C@@H]([NH2+]C(C)(C)CCNCCC(C)(C)[NH3+])C[C@H](C)N1Cc1ccccc1 ZINC001168026012 859274554 /nfs/dbraw/zinc/27/45/54/859274554.db2.gz KZAGPLJCMXLEPY-VTYHHJSWSA-N 2 3 388.644 3.903 20 0 GHADHP CC[NH+]1CCC(N2CCC(OC3CC[NH+](Cc4ccccc4)CC3)CC2)CC1 ZINC001169264654 871330116 /nfs/dbraw/zinc/33/01/16/871330116.db2.gz PGEVKMZYZJVQBV-UHFFFAOYSA-N 2 3 385.596 3.616 20 0 GHADHP CN(c1ccccc1CNCc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000132857330 903319974 /nfs/dbraw/zinc/31/99/74/903319974.db2.gz RATCDDRENVEGDH-UHFFFAOYSA-N 2 3 380.580 3.568 20 0 GHADHP CC(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)N2C)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000411722546 926695302 /nfs/dbraw/zinc/69/53/02/926695302.db2.gz VGKIUFSEPSLBON-GAKQGWLFSA-N 2 3 390.660 3.517 20 0 GHADHP CC(CC[NH+](C)C1C[C@H]2CC[C@@H](C1)N2C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000411722546 926695307 /nfs/dbraw/zinc/69/53/07/926695307.db2.gz VGKIUFSEPSLBON-GAKQGWLFSA-N 2 3 390.660 3.517 20 0 GHADHP CC[NH+]1CCC(C[NH+]2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)CC1 ZINC001208596524 1034950412 /nfs/dbraw/zinc/95/04/12/1034950412.db2.gz RLZKABLSSWTJTB-FQEVSTJZSA-N 2 3 391.625 3.535 20 0 GHADHP FC(F)(F)c1ccc(C2(N[C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246419013 1037375478 /nfs/dbraw/zinc/37/54/78/1037375478.db2.gz BVVWAOJWSFZJEK-RBUKOAKNSA-N 2 3 381.486 3.796 20 0 GHADHP FC(F)(F)c1ccccc1C1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246423092 1037380767 /nfs/dbraw/zinc/38/07/67/1037380767.db2.gz MIMODTMOKQZHKY-FVQHAEBGSA-N 2 3 381.486 3.589 20 0 GHADHP C[C@@H]1C[C@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441572 1037403694 /nfs/dbraw/zinc/40/36/94/1037403694.db2.gz JCKRQVGUIOWDDU-UTRMSSBJSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@@H]1C[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441572 1037403707 /nfs/dbraw/zinc/40/37/07/1037403707.db2.gz JCKRQVGUIOWDDU-UTRMSSBJSA-N 2 3 380.374 3.662 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246618715 1037510391 /nfs/dbraw/zinc/51/03/91/1037510391.db2.gz KBTPODDJNRLBJO-GOTSBHOMSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@H]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC001246618715 1037510393 /nfs/dbraw/zinc/51/03/93/1037510393.db2.gz KBTPODDJNRLBJO-GOTSBHOMSA-N 2 3 397.607 3.712 20 0 GHADHP CN(Cc1ccco1)[C@@H]1CCC12CC[NH+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235482707 1040956339 /nfs/dbraw/zinc/95/63/39/1040956339.db2.gz MYURQURVFUKAGB-OAQYLSRUSA-N 2 3 385.577 3.863 20 0 GHADHP Cc1nc(C2CC[NH2+]CC2)sc1CN(Cc1ccncc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236563125 1041764064 /nfs/dbraw/zinc/76/40/64/1041764064.db2.gz QDRDTOQPLAJMSA-MXVIHJGJSA-N 2 3 399.608 3.586 20 0 GHADHP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])NC2CCN(Cc3ccccc3)CC2)C1 ZINC000849059333 1057570542 /nfs/dbraw/zinc/57/05/42/1057570542.db2.gz KGLUBQCDYGMZRW-SFTDATJTSA-N 2 3 399.627 3.523 20 0 GHADHP CN1[C@@H]2CC[C@H]1CC([NH+](C)CCCCCC[N@@H+](C)C1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC000375763248 834688375 /nfs/dbraw/zinc/68/83/75/834688375.db2.gz MFWFYNFNJQYDIN-QVGYUHCVSA-N 2 3 390.660 3.661 20 0 GHADHP CN1[C@@H]2CC[C@H]1CC([NH+](C)CCCCCC[N@H+](C)C1C[C@H]3CC[C@@H](C1)N3C)C2 ZINC000375763248 834688380 /nfs/dbraw/zinc/68/83/80/834688380.db2.gz MFWFYNFNJQYDIN-QVGYUHCVSA-N 2 3 390.660 3.661 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029851 883096082 /nfs/dbraw/zinc/09/60/82/883096082.db2.gz BGZWPABYBHAEMB-ISKFKSNPSA-N 2 3 381.564 3.942 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000551029851 883096064 /nfs/dbraw/zinc/09/60/64/883096064.db2.gz BGZWPABYBHAEMB-ISKFKSNPSA-N 2 3 381.564 3.942 20 0 GHADHP C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177968625 878932110 /nfs/dbraw/zinc/93/21/10/878932110.db2.gz KLRGSJCGVMNSDR-NRFANRHFSA-N 2 3 395.591 3.985 20 0 GHADHP CC[NH+](CC)C1CCC([NH+]2CCC3(CCCN3Cc3cnn(C)c3)CC2)CC1 ZINC001173110036 906196804 /nfs/dbraw/zinc/19/68/04/906196804.db2.gz GODWBBWBOMOLNK-UHFFFAOYSA-N 2 3 387.616 3.504 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326222 /nfs/dbraw/zinc/32/62/22/933326222.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 2 3 399.623 3.768 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCO1 ZINC000560538949 933326232 /nfs/dbraw/zinc/32/62/32/933326232.db2.gz YBISYOHPBQTJAQ-WJNCPCKPSA-N 2 3 399.623 3.768 20 0 GHADHP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123869 1037202381 /nfs/dbraw/zinc/20/23/81/1037202381.db2.gz VCSCLKABWKIUNH-OFNKIYASSA-N 2 3 395.566 3.848 20 0 GHADHP NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246436074 1037399599 /nfs/dbraw/zinc/39/95/99/1037399599.db2.gz JGBHCXPZSYZJGQ-PMACEKPBSA-N 2 3 395.513 3.964 20 0 GHADHP Clc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC[NH2+]CC1 ZINC001246449875 1037410784 /nfs/dbraw/zinc/41/07/84/1037410784.db2.gz JKQJUIRVYYFGMU-IHWFROFDSA-N 2 3 387.999 3.956 20 0 GHADHP Clc1ccccc1C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC[NH2+]CC1 ZINC001246449875 1037410795 /nfs/dbraw/zinc/41/07/95/1037410795.db2.gz JKQJUIRVYYFGMU-IHWFROFDSA-N 2 3 387.999 3.956 20 0 GHADHP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255389842 1040978165 /nfs/dbraw/zinc/97/81/65/1040978165.db2.gz UOTMKHPZSXYXRX-HSZRJFAPSA-N 2 3 381.564 3.771 20 0 GHADHP c1cc(C[NH+]2CCCCCC2)ccc1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703988 837693456 /nfs/dbraw/zinc/69/34/56/837693456.db2.gz OSTAINIVPJFKCW-XMMPIXPASA-N 2 3 385.596 3.796 20 0 GHADHP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000414308434 837024605 /nfs/dbraw/zinc/02/46/05/837024605.db2.gz QDESFZPQZKOLMT-URXFXBBRSA-N 2 3 399.623 3.646 20 0 GHADHP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423044959 847954175 /nfs/dbraw/zinc/95/41/75/847954175.db2.gz RNDAATKCZCXYGB-DPPHCXMASA-N 2 3 391.559 3.743 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CCCCC[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607869 /nfs/dbraw/zinc/60/78/69/890607869.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CCCCC[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607873 /nfs/dbraw/zinc/60/78/73/890607873.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([N@@H+](C)CCCCC[NH+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607879 /nfs/dbraw/zinc/60/78/79/890607879.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@@H]([N@H+](C)CCCCC[NH+](C)[C@H]2CCN(CC)[C@H](C)C2)C[C@H]1C ZINC000533447096 890607881 /nfs/dbraw/zinc/60/78/81/890607881.db2.gz ZFFLLBSSBDUVJL-ODAXIHTASA-N 2 3 380.665 3.766 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269206 1032711359 /nfs/dbraw/zinc/71/13/59/1032711359.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 2 3 393.575 3.581 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)cc1 ZINC001204269206 1032711365 /nfs/dbraw/zinc/71/13/65/1032711365.db2.gz WQXVBZVKZNUXPF-PSWAGMNNSA-N 2 3 393.575 3.581 20 0 GHADHP Brc1ccc(C2(N[C@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246186179 1037227283 /nfs/dbraw/zinc/22/72/83/1037227283.db2.gz XGSCRFXMTHNZKI-OALUTQOASA-N 2 3 392.385 3.540 20 0 GHADHP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH2+]CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246315053 1037292817 /nfs/dbraw/zinc/29/28/17/1037292817.db2.gz FVGGSDRLQYOREZ-RUMRUAAYSA-N 2 3 392.591 3.627 20 0 GHADHP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246382235 1037342362 /nfs/dbraw/zinc/34/23/62/1037342362.db2.gz ZYOSVNXTAUWVBE-REPLKXPHSA-N 2 3 381.486 3.589 20 0 GHADHP Fc1ccc(CC2(C[NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384688 1037344381 /nfs/dbraw/zinc/34/43/81/1037344381.db2.gz OJOULILWOHCHOM-ZEQRLZLVSA-N 2 3 395.566 3.691 20 0 GHADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246432005 1037393393 /nfs/dbraw/zinc/39/33/93/1037393393.db2.gz VNZTVVVUPPJFAT-OALUTQOASA-N 2 3 383.502 3.738 20 0 GHADHP C[C@H]1C[C@@H]([N@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441459 1037403915 /nfs/dbraw/zinc/40/39/15/1037403915.db2.gz HMAYQBQAMGAEFX-QZHFEQFPSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@H]1C[C@@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441459 1037403919 /nfs/dbraw/zinc/40/39/19/1037403919.db2.gz HMAYQBQAMGAEFX-QZHFEQFPSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000414306672 837007147 /nfs/dbraw/zinc/00/71/47/837007147.db2.gz ONKQBWDSNWIZDH-ZJSXRUAMSA-N 2 3 399.623 3.646 20 0 GHADHP C[C@H](CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422822574 847840784 /nfs/dbraw/zinc/84/07/84/847840784.db2.gz KDLMURVETRFSRA-UCFCWBNQSA-N 2 3 379.548 3.743 20 0 GHADHP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423044962 847953958 /nfs/dbraw/zinc/95/39/58/847953958.db2.gz RNDAATKCZCXYGB-VUHNXCBZSA-N 2 3 391.559 3.743 20 0 GHADHP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307057 860999416 /nfs/dbraw/zinc/99/94/16/860999416.db2.gz ITQZSPKSFNWRDQ-RDPSFJRHSA-N 2 3 381.564 3.627 20 0 GHADHP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307057 860999432 /nfs/dbraw/zinc/99/94/32/860999432.db2.gz ITQZSPKSFNWRDQ-RDPSFJRHSA-N 2 3 381.564 3.627 20 0 GHADHP c1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001222595729 1030221597 /nfs/dbraw/zinc/22/15/97/1030221597.db2.gz HTLLGWVLNBOFJU-DEOSSOPVSA-N 2 3 375.560 3.588 20 0 GHADHP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001222595729 1030221609 /nfs/dbraw/zinc/22/16/09/1030221609.db2.gz HTLLGWVLNBOFJU-DEOSSOPVSA-N 2 3 375.560 3.588 20 0 GHADHP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123865 1037203085 /nfs/dbraw/zinc/20/30/85/1037203085.db2.gz VCSCLKABWKIUNH-NZQKXSOJSA-N 2 3 395.566 3.848 20 0 GHADHP FC(F)(F)c1ccc(C2(N[C@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)cc1 ZINC001246421830 1037378132 /nfs/dbraw/zinc/37/81/32/1037378132.db2.gz IRYVHPNRMXNXAK-SFHVURJKSA-N 2 3 381.486 3.796 20 0 GHADHP FC(F)(F)c1cccc(C2(N[C@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246430866 1037391273 /nfs/dbraw/zinc/39/12/73/1037391273.db2.gz PZETZACSOSYIOV-RBUKOAKNSA-N 2 3 381.486 3.796 20 0 GHADHP CC[NH+](CC)CCC[C@H](C)N(Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959948 1037777459 /nfs/dbraw/zinc/77/74/59/1037777459.db2.gz UUTQWOLWWYDBIN-IBGZPJMESA-N 2 3 389.584 3.538 20 0 GHADHP CC[NH+](CC)CCC[C@H](C)[N@H+](Cc1cccc(C(=O)OC)c1)C1CCNCC1 ZINC001246959948 1037777478 /nfs/dbraw/zinc/77/74/78/1037777478.db2.gz UUTQWOLWWYDBIN-IBGZPJMESA-N 2 3 389.584 3.538 20 0 GHADHP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CCNCC1 ZINC001246959948 1037777510 /nfs/dbraw/zinc/77/75/10/1037777510.db2.gz UUTQWOLWWYDBIN-IBGZPJMESA-N 2 3 389.584 3.538 20 0 GHADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428224289 857205173 /nfs/dbraw/zinc/20/51/73/857205173.db2.gz CJDNVAAZMSBPAL-WSOYEBOPSA-N 2 3 399.623 3.504 20 0 GHADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000428224289 857205179 /nfs/dbraw/zinc/20/51/79/857205179.db2.gz CJDNVAAZMSBPAL-WSOYEBOPSA-N 2 3 399.623 3.504 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000859157081 883626073 /nfs/dbraw/zinc/62/60/73/883626073.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000859157081 883626083 /nfs/dbraw/zinc/62/60/83/883626083.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([N@@H+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000859157081 883626092 /nfs/dbraw/zinc/62/60/92/883626092.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 2 3 396.740 3.524 20 0 GHADHP C[C@@H]1C[C@H]([N@H+](C)CC[Si](C)(C)CC[NH+](C)[C@H]2CCN(C)[C@H](C)C2)CCN1C ZINC000859157081 883626100 /nfs/dbraw/zinc/62/61/00/883626100.db2.gz YDYNVDFSVYYYCJ-YSFYHYPLSA-N 2 3 396.740 3.524 20 0 GHADHP c1ccc(C[NH+](Cc2ccccc2)C2CCC([NH2+][C@@H]3CC34CNC4)CC2)cc1 ZINC001246441857 1037404217 /nfs/dbraw/zinc/40/42/17/1037404217.db2.gz AISPVKDGBYIZQF-KXTRFFEISA-N 2 3 375.560 3.952 20 0 GHADHP c1ccc(C[NH+](Cc2ccccc2)C2CCC(N[C@@H]3CC34C[NH2+]C4)CC2)cc1 ZINC001246441857 1037404239 /nfs/dbraw/zinc/40/42/39/1037404239.db2.gz AISPVKDGBYIZQF-KXTRFFEISA-N 2 3 375.560 3.952 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246620274 1037511377 /nfs/dbraw/zinc/51/13/77/1037511377.db2.gz RELWCOSISVWSFN-WLXPTCNVSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2C2CCC3(CC[NH2+]C3)CC2)cc1 ZINC001246620274 1037511383 /nfs/dbraw/zinc/51/13/83/1037511383.db2.gz RELWCOSISVWSFN-WLXPTCNVSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246620253 1037512765 /nfs/dbraw/zinc/51/27/65/1037512765.db2.gz QPJVQVYVLJTEPE-SGNDLWITSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246620253 1037512779 /nfs/dbraw/zinc/51/27/79/1037512779.db2.gz QPJVQVYVLJTEPE-SGNDLWITSA-N 2 3 397.607 3.712 20 0 GHADHP CC[NH+](CC)C1CCC(N2CCc3ccc(OC)cc3C23CC[NH2+]CC3)CC1 ZINC001246632559 1037519177 /nfs/dbraw/zinc/51/91/77/1037519177.db2.gz XHZJEQWJNLCAAE-UHFFFAOYSA-N 2 3 385.596 3.785 20 0 GHADHP CN(Cc1ccco1)[C@H]1CCC12CC[NH+](Cc1cc3c(s1)C[NH2+]CC3)CC2 ZINC001235482702 1040956042 /nfs/dbraw/zinc/95/60/42/1040956042.db2.gz MYURQURVFUKAGB-NRFANRHFSA-N 2 3 385.577 3.863 20 0 GHADHP c1c(CN2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529251 /nfs/dbraw/zinc/52/92/51/1041529251.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 2 3 383.605 3.789 20 0 GHADHP c1c(CN2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)sc2c1C[NH2+]CC2 ZINC001236092315 1041529258 /nfs/dbraw/zinc/52/92/58/1041529258.db2.gz JDXIDOIQQFFAIB-ICGULJKJSA-N 2 3 383.605 3.789 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+]([C@H](C)CCN2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237192 /nfs/dbraw/zinc/23/71/92/860237192.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+]([C@H](C)CCN2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237202 /nfs/dbraw/zinc/23/72/02/860237202.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN(CC[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237209 /nfs/dbraw/zinc/23/72/09/860237209.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN(CC[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237216 /nfs/dbraw/zinc/23/72/16/860237216.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+](CC[C@@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237228 /nfs/dbraw/zinc/23/72/28/860237228.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+](CC[C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237233 /nfs/dbraw/zinc/23/72/33/860237233.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN([C@H](C)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237238 /nfs/dbraw/zinc/23/72/38/860237238.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN([C@H](C)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408905 860237243 /nfs/dbraw/zinc/23/72/43/860237243.db2.gz LKMMNNNKFDPFQR-JOCHJYFZSA-N 3 3 394.692 3.869 20 0 GHADHP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cc1 ZINC000245729273 878491498 /nfs/dbraw/zinc/49/14/98/878491498.db2.gz PXCUIXWBBOQKIS-BKFWDETESA-N 2 3 393.575 3.912 20 0 GHADHP C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000902503762 922244501 /nfs/dbraw/zinc/24/45/01/922244501.db2.gz JYYAHZYRNPDWHQ-OEOAZWSVSA-N 2 3 395.547 3.534 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073133 /nfs/dbraw/zinc/07/31/33/934073133.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073142 /nfs/dbraw/zinc/07/31/42/934073142.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073153 /nfs/dbraw/zinc/07/31/53/934073153.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC001117992952 934073163 /nfs/dbraw/zinc/07/31/63/934073163.db2.gz JMHPLCZQBMWPRC-NLPWIYRPSA-N 2 3 394.692 3.727 20 0 GHADHP CC1(C)CC([NH2+]C[C@@H]2CN(Cc3ccccc3)CC23CC[NH2+]CC3)CC(C)(C)O1 ZINC001246118817 1037201710 /nfs/dbraw/zinc/20/17/10/1037201710.db2.gz BFPQTVYPUKVHQX-OAQYLSRUSA-N 2 3 399.623 3.814 20 0 GHADHP Clc1ccc(C2(C[NH2+][C@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246341289 1037304452 /nfs/dbraw/zinc/30/44/52/1037304452.db2.gz OYNGXSXGYVDWAR-GOTSBHOMSA-N 2 3 397.994 3.914 20 0 GHADHP Clc1ccc(CC2([NH2+]C3CCC4(CC[NH2+]CC4)CC3)CCNCC2)cc1 ZINC001246385812 1037346842 /nfs/dbraw/zinc/34/68/42/1037346842.db2.gz FGEBXKLPWHLIMC-UHFFFAOYSA-N 2 3 375.988 3.907 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246388171 1037348392 /nfs/dbraw/zinc/34/83/92/1037348392.db2.gz MAWSDXPDXYYATM-GOSISDBHSA-N 2 3 395.513 3.882 20 0 GHADHP Clc1ccccc1C1(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246451346 1037411849 /nfs/dbraw/zinc/41/18/49/1037411849.db2.gz MNWYBYGQOJXMTH-NHCUHLMSSA-N 2 3 397.994 3.914 20 0 GHADHP Fc1cc(C[N@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)ccc1C(F)(F)F ZINC001246960329 1037779940 /nfs/dbraw/zinc/77/99/40/1037779940.db2.gz HEDRFLIUQBIFIG-UHFFFAOYSA-N 2 3 399.476 3.931 20 0 GHADHP Fc1cc(C[N@@H+](C2CCNCC2)C2CCC3(C[NH2+]C3)CC2)ccc1C(F)(F)F ZINC001246960329 1037779964 /nfs/dbraw/zinc/77/99/64/1037779964.db2.gz HEDRFLIUQBIFIG-UHFFFAOYSA-N 2 3 399.476 3.931 20 0 GHADHP Fc1cc(CN(C2CC[NH2+]CC2)C2CCC3(C[NH2+]C3)CC2)ccc1C(F)(F)F ZINC001246960329 1037779987 /nfs/dbraw/zinc/77/99/87/1037779987.db2.gz HEDRFLIUQBIFIG-UHFFFAOYSA-N 2 3 399.476 3.931 20 0 GHADHP CCN(CC)CC[C@@H](C)[N@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952513 1041433847 /nfs/dbraw/zinc/43/38/47/1041433847.db2.gz OFUNIWODIPGVKT-STZQEDGTSA-N 2 3 389.584 3.666 20 0 GHADHP CCN(CC)CC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952513 1041433853 /nfs/dbraw/zinc/43/38/53/1041433853.db2.gz OFUNIWODIPGVKT-STZQEDGTSA-N 2 3 389.584 3.666 20 0 GHADHP CC[NH+](CC)CC[C@@H](C)N(Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952513 1041433858 /nfs/dbraw/zinc/43/38/58/1041433858.db2.gz OFUNIWODIPGVKT-STZQEDGTSA-N 2 3 389.584 3.666 20 0 GHADHP Cc1ccc(C[N@@H+](C2CCC(N3CCOCC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256687495 1043624169 /nfs/dbraw/zinc/62/41/69/1043624169.db2.gz WSWGHPQFSPNAGM-SAXTUKQPSA-N 2 3 385.596 3.710 20 0 GHADHP Cc1ccc(C[N@H+](C2CCC(N3CCOCC3)CC2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001256687495 1043624173 /nfs/dbraw/zinc/62/41/73/1043624173.db2.gz WSWGHPQFSPNAGM-SAXTUKQPSA-N 2 3 385.596 3.710 20 0 GHADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000414306666 837007065 /nfs/dbraw/zinc/00/70/65/837007065.db2.gz ONKQBWDSNWIZDH-URXFXBBRSA-N 2 3 399.623 3.646 20 0 GHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657311563 846051638 /nfs/dbraw/zinc/05/16/38/846051638.db2.gz NRHAFIPRVCKJQA-LJQANCHMSA-N 2 3 375.520 3.932 20 0 GHADHP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657311563 846051646 /nfs/dbraw/zinc/05/16/46/846051646.db2.gz NRHAFIPRVCKJQA-LJQANCHMSA-N 2 3 375.520 3.932 20 0 GHADHP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275631 864385310 /nfs/dbraw/zinc/38/53/10/864385310.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275631 864385328 /nfs/dbraw/zinc/38/53/28/864385328.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000480275631 864385345 /nfs/dbraw/zinc/38/53/45/864385345.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000480275631 864385362 /nfs/dbraw/zinc/38/53/62/864385362.db2.gz DTBWKAWLQKGMMN-OFVILXPXSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275633 864386227 /nfs/dbraw/zinc/38/62/27/864386227.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000480275633 864386242 /nfs/dbraw/zinc/38/62/42/864386242.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000480275633 864386253 /nfs/dbraw/zinc/38/62/53/864386253.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 2 3 377.576 3.935 20 0 GHADHP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000480275633 864386262 /nfs/dbraw/zinc/38/62/62/864386262.db2.gz DTBWKAWLQKGMMN-SQJMNOBHSA-N 2 3 377.576 3.935 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029854 883096464 /nfs/dbraw/zinc/09/64/64/883096464.db2.gz BGZWPABYBHAEMB-VWNXMTODSA-N 2 3 381.564 3.942 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029854 883096479 /nfs/dbraw/zinc/09/64/79/883096479.db2.gz BGZWPABYBHAEMB-VWNXMTODSA-N 2 3 381.564 3.942 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227742 1069451911 /nfs/dbraw/zinc/45/19/11/1069451911.db2.gz CMNIOCCQKWNKPP-KNQAVFIVSA-N 2 3 387.593 3.861 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC001461227742 1069451917 /nfs/dbraw/zinc/45/19/17/1069451917.db2.gz CMNIOCCQKWNKPP-KNQAVFIVSA-N 2 3 387.593 3.861 20 0 GHADHP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246358727 1037318443 /nfs/dbraw/zinc/31/84/43/1037318443.db2.gz AXLJYJAARGDLCU-BJKOFHAPSA-N 2 3 395.566 3.991 20 0 GHADHP COc1ccccc1CC1(C[NH2+]C2CC(C)(C)N(C)C(C)(C)C2)CC[NH2+]CC1 ZINC001246421759 1037379681 /nfs/dbraw/zinc/37/96/81/1037379681.db2.gz UIEHNJDCWHKPAQ-UHFFFAOYSA-N 2 3 387.612 3.849 20 0 GHADHP FC(F)(F)c1ccccc1C1(C[NH2+][C@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246422737 1037381304 /nfs/dbraw/zinc/38/13/04/1037381304.db2.gz KLHKFYYAKQBGPK-INIZCTEOSA-N 2 3 381.486 3.591 20 0 GHADHP C[C@H]1CC([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246430752 1037390473 /nfs/dbraw/zinc/39/04/73/1037390473.db2.gz RLHWRQITOIBRQZ-HOTGVXAUSA-N 2 3 383.502 3.736 20 0 GHADHP C[C@@H]1C[C@H]([N@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441461 1037404003 /nfs/dbraw/zinc/40/40/03/1037404003.db2.gz HMAYQBQAMGAEFX-UTRMSSBJSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441461 1037404016 /nfs/dbraw/zinc/40/40/16/1037404016.db2.gz HMAYQBQAMGAEFX-UTRMSSBJSA-N 2 3 380.374 3.662 20 0 GHADHP N[C@@H]1[C@H]2C[N@H+](C3CCC([NH+](Cc4ccccc4)Cc4ccccc4)CC3)C[C@H]21 ZINC001246657427 1037530599 /nfs/dbraw/zinc/53/05/99/1037530599.db2.gz MFTCNHFYPDMQDB-BPRPSZBZSA-N 2 3 375.560 3.889 20 0 GHADHP N[C@@H]1[C@H]2C[N@@H+](C3CCC([NH+](Cc4ccccc4)Cc4ccccc4)CC3)C[C@H]21 ZINC001246657427 1037530606 /nfs/dbraw/zinc/53/06/06/1037530606.db2.gz MFTCNHFYPDMQDB-BPRPSZBZSA-N 2 3 375.560 3.889 20 0 GHADHP Cc1nc(C2CC[NH2+]CC2)sc1CN1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC001235975446 1041479704 /nfs/dbraw/zinc/47/97/04/1041479704.db2.gz WJEXYZBTCCGKKD-UHFFFAOYSA-N 2 3 396.604 3.556 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@H+](CC2CCCCC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687226 1043622025 /nfs/dbraw/zinc/62/20/25/1043622025.db2.gz QNDUXOSXUODOBW-DOBXKQIDSA-N 2 3 377.617 3.782 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCCCC2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256687226 1043622033 /nfs/dbraw/zinc/62/20/33/1043622033.db2.gz QNDUXOSXUODOBW-DOBXKQIDSA-N 2 3 377.617 3.782 20 0 GHADHP Cc1cccc(N2CC[NH+](CCCCN[C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422805474 847831604 /nfs/dbraw/zinc/83/16/04/847831604.db2.gz GZLLJHZQBJPYLM-ZEQRLZLVSA-N 2 3 378.564 3.632 20 0 GHADHP CSC1(C[NH2+][C@@H]2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC[NH+](C)CC1 ZINC000571695224 899947633 /nfs/dbraw/zinc/94/76/33/899947633.db2.gz SKAHKFUDIODXJB-BHDDXSALSA-N 2 3 387.637 3.704 20 0 GHADHP CN1C(C)(C)CC([NH2+]CCCP(CCC[NH3+])c2ccccc2)CC1(C)C ZINC001171629681 904851276 /nfs/dbraw/zinc/85/12/76/904851276.db2.gz BZDNGUXMOVBXPC-UHFFFAOYSA-N 2 3 377.557 3.774 20 0 GHADHP Cc1c2[nH]cnc2ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933764 1025972721 /nfs/dbraw/zinc/97/27/21/1025972721.db2.gz HXKXUTUXTGITAN-FQEVSTJZSA-N 2 3 389.547 3.785 20 0 GHADHP Cc1c2[nH]cnc2ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162933764 1025972723 /nfs/dbraw/zinc/97/27/23/1025972723.db2.gz HXKXUTUXTGITAN-FQEVSTJZSA-N 2 3 389.547 3.785 20 0 GHADHP Clc1ccc(C2(C[NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246341288 1037303865 /nfs/dbraw/zinc/30/38/65/1037303865.db2.gz OYNGXSXGYVDWAR-DHIUTWEWSA-N 2 3 397.994 3.914 20 0 GHADHP Fc1cccc(CC2(C[NH2+][C@@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379084 1037336113 /nfs/dbraw/zinc/33/61/13/1037336113.db2.gz KSERKDVCOZFNJE-DNQXCXABSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1cccc(C2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246381443 1037341724 /nfs/dbraw/zinc/34/17/24/1037341724.db2.gz RAVLGSUHQIFQCH-SFHVURJKSA-N 2 3 381.486 3.591 20 0 GHADHP FC(F)(F)c1cccc(C2(N[C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246430867 1037392271 /nfs/dbraw/zinc/39/22/71/1037392271.db2.gz PZETZACSOSYIOV-RTBURBONSA-N 2 3 381.486 3.796 20 0 GHADHP CC[C@@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246431169 1037393970 /nfs/dbraw/zinc/39/39/70/1037393970.db2.gz BZDFENJNQYPMFF-MSOLQXFVSA-N 2 3 383.502 3.738 20 0 GHADHP FC(F)(F)c1ccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246435959 1037399867 /nfs/dbraw/zinc/39/98/67/1037399867.db2.gz SZBUEOWLVSMDTD-PMOLBWCYSA-N 2 3 395.513 3.880 20 0 GHADHP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692809 837676982 /nfs/dbraw/zinc/67/69/82/837676982.db2.gz VJQDLKUTMWQBBG-BKSPAHHJSA-N 2 3 399.623 3.898 20 0 GHADHP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692809 837676984 /nfs/dbraw/zinc/67/69/84/837676984.db2.gz VJQDLKUTMWQBBG-BKSPAHHJSA-N 2 3 399.623 3.898 20 0 GHADHP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655692811 837676587 /nfs/dbraw/zinc/67/65/87/837676587.db2.gz VJQDLKUTMWQBBG-OTPAQWSUSA-N 2 3 399.623 3.898 20 0 GHADHP CC[C@@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCCN1CCCCC1 ZINC000444609298 866945260 /nfs/dbraw/zinc/94/52/60/866945260.db2.gz MMQRXQUPTGHYEM-RPWUZVMVSA-N 2 3 392.676 3.771 20 0 GHADHP CC[C@@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCCN1CCCCC1 ZINC000444609298 866945263 /nfs/dbraw/zinc/94/52/63/866945263.db2.gz MMQRXQUPTGHYEM-RPWUZVMVSA-N 2 3 392.676 3.771 20 0 GHADHP C[C@@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130682 870950035 /nfs/dbraw/zinc/95/00/35/870950035.db2.gz HILLOFZQFOLRDU-OFNKIYASSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@@H]1C[C@@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130682 870950050 /nfs/dbraw/zinc/95/00/50/870950050.db2.gz HILLOFZQFOLRDU-OFNKIYASSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820812378 897539575 /nfs/dbraw/zinc/53/95/75/897539575.db2.gz JJEQUDZAEZOVOF-LJQANCHMSA-N 2 3 381.564 3.556 20 0 GHADHP CC[C@H](C)OCC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123233 1037203155 /nfs/dbraw/zinc/20/31/55/1037203155.db2.gz UKHAGUDLSRAFPN-FUPPJEDESA-N 2 3 387.612 3.672 20 0 GHADHP Fc1cccc(CC2(C[NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246379083 1037336363 /nfs/dbraw/zinc/33/63/63/1037336363.db2.gz KSERKDVCOZFNJE-BJKOFHAPSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246429833 1037389656 /nfs/dbraw/zinc/38/96/56/1037389656.db2.gz RLXKCHXALYBDPZ-WOJBJXKFSA-N 2 3 395.513 3.882 20 0 GHADHP NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246436077 1037399205 /nfs/dbraw/zinc/39/92/05/1037399205.db2.gz JGBHCXPZSYZJGQ-WOJBJXKFSA-N 2 3 395.513 3.964 20 0 GHADHP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255389843 1040977865 /nfs/dbraw/zinc/97/78/65/1040977865.db2.gz UOTMKHPZSXYXRX-QHCPKHFHSA-N 2 3 381.564 3.771 20 0 GHADHP [NH3+]C1(Cc2ccc(Cl)cc2)CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256853919 1043703802 /nfs/dbraw/zinc/70/38/02/1043703802.db2.gz BBMDSUYAASXVRR-UHFFFAOYSA-N 2 3 384.955 3.740 20 0 GHADHP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690147 837680170 /nfs/dbraw/zinc/68/01/70/837680170.db2.gz XKXQTYBZJAYFFL-RDPSFJRHSA-N 2 3 385.596 3.794 20 0 GHADHP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655690147 837680177 /nfs/dbraw/zinc/68/01/77/837680177.db2.gz XKXQTYBZJAYFFL-RDPSFJRHSA-N 2 3 385.596 3.794 20 0 GHADHP C[C@H](CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422822573 847840851 /nfs/dbraw/zinc/84/08/51/847840851.db2.gz KDLMURVETRFSRA-CKUXNOBLSA-N 2 3 379.548 3.743 20 0 GHADHP CN(c1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965250 /nfs/dbraw/zinc/96/52/50/878965250.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 2 3 396.623 3.666 20 0 GHADHP CN(c1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094716 878965261 /nfs/dbraw/zinc/96/52/61/878965261.db2.gz IVZWZICTCHWKIH-BWKNWUBXSA-N 2 3 396.623 3.666 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485816 898705378 /nfs/dbraw/zinc/70/53/78/898705378.db2.gz PIAWOYODVHTWPF-QLBJFCOMSA-N 2 3 399.623 3.768 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000569485816 898705386 /nfs/dbraw/zinc/70/53/86/898705386.db2.gz PIAWOYODVHTWPF-QLBJFCOMSA-N 2 3 399.623 3.768 20 0 GHADHP C[NH+]1CCC(C)(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222577307 1030206912 /nfs/dbraw/zinc/20/69/12/1030206912.db2.gz XVXCKSBJFHNASU-QFIPXVFZSA-N 2 3 385.596 3.522 20 0 GHADHP C[NH+]1CCC(C)(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222577307 1030206923 /nfs/dbraw/zinc/20/69/23/1030206923.db2.gz XVXCKSBJFHNASU-QFIPXVFZSA-N 2 3 385.596 3.522 20 0 GHADHP [NH3+]C1CCN(c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2)CC1 ZINC001159294442 1034529639 /nfs/dbraw/zinc/52/96/39/1034529639.db2.gz UFGHSFCHGSIVFN-DKUWSORSSA-N 2 3 391.563 3.617 20 0 GHADHP [NH3+]C1CCN(c2cccc(N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2)CC1 ZINC001159294442 1034529653 /nfs/dbraw/zinc/52/96/53/1034529653.db2.gz UFGHSFCHGSIVFN-DKUWSORSSA-N 2 3 391.563 3.617 20 0 GHADHP CN1C(C)(C)CC([NH2+]CC2(Cc3ccc(F)cc3)CC[NH2+]CC2)CC1(C)C ZINC001246384049 1037344964 /nfs/dbraw/zinc/34/49/64/1037344964.db2.gz LOLBWXRDHFHIGG-UHFFFAOYSA-N 2 3 375.576 3.979 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246620251 1037512517 /nfs/dbraw/zinc/51/25/17/1037512517.db2.gz QPJVQVYVLJTEPE-HJOGWXRNSA-N 2 3 397.607 3.712 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2[C@H]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001246620251 1037512525 /nfs/dbraw/zinc/51/25/25/1037512525.db2.gz QPJVQVYVLJTEPE-HJOGWXRNSA-N 2 3 397.607 3.712 20 0 GHADHP Cc1ccc(C[NH+]2CCC3(CCN(CC[C@H]4COC(C)(C)[NH2+]4)CC3)CC2)cc1 ZINC001235532521 1040977160 /nfs/dbraw/zinc/97/71/60/1040977160.db2.gz NWMANRZEGBIMMJ-QFIPXVFZSA-N 2 3 385.596 3.788 20 0 GHADHP CCN(CC)CC[C@H](C)[N@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952512 1041434162 /nfs/dbraw/zinc/43/41/62/1041434162.db2.gz OFUNIWODIPGVKT-NYVOZVTQSA-N 2 3 389.584 3.666 20 0 GHADHP CCN(CC)CC[C@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952512 1041434169 /nfs/dbraw/zinc/43/41/69/1041434169.db2.gz OFUNIWODIPGVKT-NYVOZVTQSA-N 2 3 389.584 3.666 20 0 GHADHP CC[NH+](CC)CC[C@H](C)N(Cc1cccc(C(=O)OC)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952512 1041434173 /nfs/dbraw/zinc/43/41/73/1041434173.db2.gz OFUNIWODIPGVKT-NYVOZVTQSA-N 2 3 389.584 3.666 20 0 GHADHP c1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640026 /nfs/dbraw/zinc/64/00/26/1041640026.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 2 3 375.560 3.820 20 0 GHADHP c1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241200 1041640033 /nfs/dbraw/zinc/64/00/33/1041640033.db2.gz QUANUVZGXXZOCY-VWLOTQADSA-N 2 3 375.560 3.820 20 0 GHADHP C[NH+](C)CCOc1ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336759 835092843 /nfs/dbraw/zinc/09/28/43/835092843.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 2 3 381.564 3.581 20 0 GHADHP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000093336759 835092855 /nfs/dbraw/zinc/09/28/55/835092855.db2.gz AHBWVXINSHMZQI-QHCPKHFHSA-N 2 3 381.564 3.581 20 0 GHADHP c1cc(CNCc2ccccc2C[NH+]2CCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657359898 846508701 /nfs/dbraw/zinc/50/87/01/846508701.db2.gz RBKKFZMBZVPKFE-UHFFFAOYSA-N 2 3 375.520 3.933 20 0 GHADHP CC[C@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCCN1CCCCC1 ZINC000444609299 866945768 /nfs/dbraw/zinc/94/57/68/866945768.db2.gz MMQRXQUPTGHYEM-ZEQRLZLVSA-N 2 3 392.676 3.771 20 0 GHADHP CC[C@H](C)[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCCN1CCCCC1 ZINC000444609299 866945782 /nfs/dbraw/zinc/94/57/82/866945782.db2.gz MMQRXQUPTGHYEM-ZEQRLZLVSA-N 2 3 392.676 3.771 20 0 GHADHP C[C@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463129483 870944289 /nfs/dbraw/zinc/94/42/89/870944289.db2.gz CVSIQGLVHYJYPO-NZQKXSOJSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129483 870944299 /nfs/dbraw/zinc/94/42/99/870944299.db2.gz CVSIQGLVHYJYPO-NZQKXSOJSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@@H](Cc1ccccc1)N1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000449093772 874495079 /nfs/dbraw/zinc/49/50/79/874495079.db2.gz YHCGSUXMDWSPER-NRFANRHFSA-N 2 3 395.591 3.812 20 0 GHADHP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124146 932056983 /nfs/dbraw/zinc/05/69/83/932056983.db2.gz HCRYGJAQFQZSPH-YADARESESA-N 2 3 381.564 3.556 20 0 GHADHP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(C[NH+](C)C)c1 ZINC000926124146 932056987 /nfs/dbraw/zinc/05/69/87/932056987.db2.gz HCRYGJAQFQZSPH-YADARESESA-N 2 3 381.564 3.556 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227743 1069452193 /nfs/dbraw/zinc/45/21/93/1069452193.db2.gz CMNIOCCQKWNKPP-SIKLNZKXSA-N 2 3 387.593 3.861 20 0 GHADHP C[NH+](C)CCOc1ccc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC001461227743 1069452195 /nfs/dbraw/zinc/45/21/95/1069452195.db2.gz CMNIOCCQKWNKPP-SIKLNZKXSA-N 2 3 387.593 3.861 20 0 GHADHP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123863 1037202284 /nfs/dbraw/zinc/20/22/84/1037202284.db2.gz VCSCLKABWKIUNH-NFBKMPQASA-N 2 3 395.566 3.848 20 0 GHADHP FC(F)(F)c1cccc(C2(C[NH2+][C@@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246381441 1037340416 /nfs/dbraw/zinc/34/04/16/1037340416.db2.gz RAVLGSUHQIFQCH-GOSISDBHSA-N 2 3 381.486 3.591 20 0 GHADHP C[C@@H]1CC([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246430753 1037391961 /nfs/dbraw/zinc/39/19/61/1037391961.db2.gz RLHWRQITOIBRQZ-HZPDHXFCSA-N 2 3 383.502 3.736 20 0 GHADHP Clc1ccccc1C1(C[NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246451343 1037412320 /nfs/dbraw/zinc/41/23/20/1037412320.db2.gz MNWYBYGQOJXMTH-LEWJYISDSA-N 2 3 397.994 3.914 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681586 1043619716 /nfs/dbraw/zinc/61/97/16/1043619716.db2.gz XVQLWPWWYVBHQP-DOBXKQIDSA-N 2 3 389.559 3.541 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256681586 1043619725 /nfs/dbraw/zinc/61/97/25/1043619725.db2.gz XVQLWPWWYVBHQP-DOBXKQIDSA-N 2 3 389.559 3.541 20 0 GHADHP C[NH+](C)[C@@H]1CCCN(Cc2ccc(CN3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000277152382 844870692 /nfs/dbraw/zinc/87/06/92/844870692.db2.gz JQUTZWGSLNEWLY-DNQXCXABSA-N 2 3 386.628 3.519 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000506858397 852175751 /nfs/dbraw/zinc/17/57/51/852175751.db2.gz BVPPQBFGFHCEFL-UHFFFAOYSA-N 2 3 384.612 3.526 20 0 GHADHP CN(c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964918 /nfs/dbraw/zinc/96/49/18/878964918.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 2 3 396.623 3.666 20 0 GHADHP CN(c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094750 878964932 /nfs/dbraw/zinc/96/49/32/878964932.db2.gz IVZWZICTCHWKIH-SQJMNOBHSA-N 2 3 396.623 3.666 20 0 GHADHP CC1(C)C[C@@H]([NH2+]Cc2ccccc2N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC001246318681 1037292602 /nfs/dbraw/zinc/29/26/02/1037292602.db2.gz KSHUXDQRMCAMKI-QHCPKHFHSA-N 2 3 392.591 3.629 20 0 GHADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccc(C(F)(F)F)cc3)CC[NH2+]CC2)CCN1 ZINC001246432008 1037393349 /nfs/dbraw/zinc/39/33/49/1037393349.db2.gz VNZTVVVUPPJFAT-RTBURBONSA-N 2 3 383.502 3.738 20 0 GHADHP NC1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246435736 1037400197 /nfs/dbraw/zinc/40/01/97/1037400197.db2.gz KRFKXSJKCHEBNM-ICSRJNTNSA-N 2 3 395.513 3.964 20 0 GHADHP C[C@H]1C[C@H]([N@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441460 1037404463 /nfs/dbraw/zinc/40/44/63/1037404463.db2.gz HMAYQBQAMGAEFX-UDTPNQRGSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@H]1C[C@H]([N@@H+](Cc2ccc(Br)cc2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441460 1037404467 /nfs/dbraw/zinc/40/44/67/1037404467.db2.gz HMAYQBQAMGAEFX-UDTPNQRGSA-N 2 3 380.374 3.662 20 0 GHADHP CC[C@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CCCN1CCCCC1 ZINC000444609296 866945333 /nfs/dbraw/zinc/94/53/33/866945333.db2.gz MMQRXQUPTGHYEM-BJKOFHAPSA-N 2 3 392.676 3.771 20 0 GHADHP CC[C@H](C)[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCCN1CCCCC1 ZINC000444609296 866945342 /nfs/dbraw/zinc/94/53/42/866945342.db2.gz MMQRXQUPTGHYEM-BJKOFHAPSA-N 2 3 392.676 3.771 20 0 GHADHP C[C@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000463130680 870950207 /nfs/dbraw/zinc/95/02/07/870950207.db2.gz HILLOFZQFOLRDU-NZQKXSOJSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@H]1C[C@H](NCc2cccc(OCC[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000463130680 870950219 /nfs/dbraw/zinc/95/02/19/870950219.db2.gz HILLOFZQFOLRDU-NZQKXSOJSA-N 2 3 381.564 3.770 20 0 GHADHP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006485 /nfs/dbraw/zinc/00/64/85/884006485.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 2 3 393.575 3.568 20 0 GHADHP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006504 /nfs/dbraw/zinc/00/65/04/884006504.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006522 /nfs/dbraw/zinc/00/65/22/884006522.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H]1c1ccccc1 ZINC000556170843 884006539 /nfs/dbraw/zinc/00/65/39/884006539.db2.gz OMPBIOFJTOIEEC-SDHOMARFSA-N 2 3 393.575 3.568 20 0 GHADHP C[C@H](NCc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820812377 897540265 /nfs/dbraw/zinc/54/02/65/897540265.db2.gz JJEQUDZAEZOVOF-IBGZPJMESA-N 2 3 381.564 3.556 20 0 GHADHP CCN1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072664 /nfs/dbraw/zinc/07/26/64/934072664.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@H]([NH+](C)CC[C@@H](C)CC[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072675 /nfs/dbraw/zinc/07/26/75/934072675.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@H]([N@@H+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072685 /nfs/dbraw/zinc/07/26/85/934072685.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@H]([N@H+](C)CC[C@@H](C)CC[NH+](C)[C@@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992954 934072695 /nfs/dbraw/zinc/07/26/95/934072695.db2.gz JMHPLCZQBMWPRC-QXHWAKKDSA-N 2 3 394.692 3.727 20 0 GHADHP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CN(Cc4ccccc4)C3)CC2)cc1 ZINC001138773072 1025343075 /nfs/dbraw/zinc/34/30/75/1025343075.db2.gz OTBXDFHOJRVZMD-UHFFFAOYSA-N 2 3 393.575 3.725 20 0 GHADHP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123882 1037205067 /nfs/dbraw/zinc/20/50/67/1037205067.db2.gz VHKKWVJMLDSLKS-NFBKMPQASA-N 2 3 395.566 3.848 20 0 GHADHP C[C@@H]1C[C@@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)C[C@H](C)N1 ZINC001246411524 1037368032 /nfs/dbraw/zinc/36/80/32/1037368032.db2.gz AFPQOWSJUPHJOE-HGKCTWBKSA-N 2 3 383.502 3.736 20 0 GHADHP FC(F)(F)c1cccc(C2(N[C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)c1 ZINC001246430864 1037391871 /nfs/dbraw/zinc/39/18/71/1037391871.db2.gz PZETZACSOSYIOV-MOPGFXCFSA-N 2 3 381.486 3.796 20 0 GHADHP C[C@@H]1CC([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)C[C@@H](C)N1 ZINC001246436029 1037400244 /nfs/dbraw/zinc/40/02/44/1037400244.db2.gz VUDXHFZOOHUIBF-HZPDHXFCSA-N 2 3 383.502 3.736 20 0 GHADHP NC1(Cc2ccc(C(F)(F)F)cc2)CC[NH+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246436075 1037400351 /nfs/dbraw/zinc/40/03/51/1037400351.db2.gz JGBHCXPZSYZJGQ-UXHICEINSA-N 2 3 395.513 3.964 20 0 GHADHP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117343 /nfs/dbraw/zinc/11/73/43/1041117343.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 2 3 396.604 3.521 20 0 GHADHP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664126 1041117359 /nfs/dbraw/zinc/11/73/59/1041117359.db2.gz YOPLPXADZCKRFT-YUXAGFNASA-N 2 3 396.604 3.521 20 0 GHADHP c1cc2c(cc1CN1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529679 /nfs/dbraw/zinc/52/96/79/1041529679.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 2 3 377.576 3.727 20 0 GHADHP c1cc2c(cc1CN1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C[NH2+]CC2 ZINC001236093802 1041529696 /nfs/dbraw/zinc/52/96/96/1041529696.db2.gz YUVFGIMDPAUSOV-KVZCNWPJSA-N 2 3 377.576 3.727 20 0 GHADHP c1ccc(CN2CC3(C2)CC[NH+](C2CCN(c4cc[nH+]cc4)CC2)CC3)cc1 ZINC001256862198 1043708041 /nfs/dbraw/zinc/70/80/41/1043708041.db2.gz KDEOWHVEQYBQBV-UHFFFAOYSA-N 2 3 376.548 3.648 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485431 898705330 /nfs/dbraw/zinc/70/53/30/898705330.db2.gz PIAWOYODVHTWPF-PZUNEJSGSA-N 2 3 399.623 3.768 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485431 898705340 /nfs/dbraw/zinc/70/53/40/898705340.db2.gz PIAWOYODVHTWPF-PZUNEJSGSA-N 2 3 399.623 3.768 20 0 GHADHP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158589156 1034181109 /nfs/dbraw/zinc/18/11/09/1034181109.db2.gz MGYKSANCZVRDJD-HSZRJFAPSA-N 2 3 399.627 3.671 20 0 GHADHP CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C2CC[NH2+]CC2)C2CCN(C)CC2)nc1 ZINC001158589156 1034181117 /nfs/dbraw/zinc/18/11/17/1034181117.db2.gz MGYKSANCZVRDJD-HSZRJFAPSA-N 2 3 399.627 3.671 20 0 GHADHP [NH3+]C/C=C/CN[C@H]1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246364900 1037324016 /nfs/dbraw/zinc/32/40/16/1037324016.db2.gz VEVHRXANFKZRMU-QMWLYMBLSA-N 2 3 375.560 3.856 20 0 GHADHP [NH3+]C/C=C/CN[C@H]1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001246364900 1037324036 /nfs/dbraw/zinc/32/40/36/1037324036.db2.gz VEVHRXANFKZRMU-QMWLYMBLSA-N 2 3 375.560 3.856 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246386343 1037346957 /nfs/dbraw/zinc/34/69/57/1037346957.db2.gz IIWOVUNTFYDVMN-ICSRJNTNSA-N 2 3 395.513 3.882 20 0 GHADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246431172 1037393603 /nfs/dbraw/zinc/39/36/03/1037393603.db2.gz BZDFENJNQYPMFF-ZWKOTPCHSA-N 2 3 383.502 3.738 20 0 GHADHP NC1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246439037 1037401532 /nfs/dbraw/zinc/40/15/32/1037401532.db2.gz RJTGQWJIRKRCKK-VQTJNVASSA-N 2 3 395.513 3.964 20 0 GHADHP CCN(CC)[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000849054705 1057564234 /nfs/dbraw/zinc/56/42/34/1057564234.db2.gz PKLZNSLNILNEBU-JOCHJYFZSA-N 2 3 387.616 3.521 20 0 GHADHP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689396 837609273 /nfs/dbraw/zinc/60/92/73/837609273.db2.gz CGQWZHDXOKGRCB-YKSBVNFPSA-N 2 3 385.596 3.652 20 0 GHADHP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)C1 ZINC000655689396 837609281 /nfs/dbraw/zinc/60/92/81/837609281.db2.gz CGQWZHDXOKGRCB-YKSBVNFPSA-N 2 3 385.596 3.652 20 0 GHADHP Cc1nc(CN)ccc1[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422821580 847840550 /nfs/dbraw/zinc/84/05/50/847840550.db2.gz XECABNOSSGNMJW-IBGZPJMESA-N 2 3 396.579 3.571 20 0 GHADHP C[C@H](CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N(C)Cc1ccccc1 ZINC000422822576 847841091 /nfs/dbraw/zinc/84/10/91/847841091.db2.gz KDLMURVETRFSRA-ZFJSRUIDSA-N 2 3 379.548 3.743 20 0 GHADHP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422962079 847904975 /nfs/dbraw/zinc/90/49/75/847904975.db2.gz BWUPCXIBHWSSBF-CCDWMCETSA-N 2 3 393.575 3.662 20 0 GHADHP C[NH+](C)Cc1ccc(-c2ccccc2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422962082 847905316 /nfs/dbraw/zinc/90/53/16/847905316.db2.gz BWUPCXIBHWSSBF-UBFVSLLYSA-N 2 3 393.575 3.662 20 0 GHADHP C[C@H](N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000902503758 922244794 /nfs/dbraw/zinc/24/47/94/922244794.db2.gz JYYAHZYRNPDWHQ-JKFKMHIGSA-N 2 3 395.547 3.534 20 0 GHADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246415451 1037371687 /nfs/dbraw/zinc/37/16/87/1037371687.db2.gz PPFQFYQVOREGDB-RTBURBONSA-N 2 3 383.502 3.738 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)cc1 ZINC001246426854 1037383923 /nfs/dbraw/zinc/38/39/23/1037383923.db2.gz DUSADEPTAINLQP-IBGZPJMESA-N 2 3 395.513 3.882 20 0 GHADHP C[C@H]1C[C@H]([N@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441571 1037403364 /nfs/dbraw/zinc/40/33/64/1037403364.db2.gz JCKRQVGUIOWDDU-UDTPNQRGSA-N 2 3 380.374 3.662 20 0 GHADHP C[C@H]1C[C@H]([N@@H+](Cc2cccc(Br)c2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246441571 1037403378 /nfs/dbraw/zinc/40/33/78/1037403378.db2.gz JCKRQVGUIOWDDU-UDTPNQRGSA-N 2 3 380.374 3.662 20 0 GHADHP c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@H]3C2)cc1 ZINC000656539831 1043217750 /nfs/dbraw/zinc/21/77/50/1043217750.db2.gz WOYAAVGWARRWBB-NKKJXINNSA-N 2 3 376.548 3.551 20 0 GHADHP C[NH+](C)CCOc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488624 841535856 /nfs/dbraw/zinc/53/58/56/841535856.db2.gz QSFCKIPEGJTUBD-QHCPKHFHSA-N 2 3 393.575 3.914 20 0 GHADHP C[NH+](C)CCOc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000581488624 841535861 /nfs/dbraw/zinc/53/58/61/841535861.db2.gz QSFCKIPEGJTUBD-QHCPKHFHSA-N 2 3 393.575 3.914 20 0 GHADHP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657311562 846051965 /nfs/dbraw/zinc/05/19/65/846051965.db2.gz NRHAFIPRVCKJQA-IBGZPJMESA-N 2 3 375.520 3.932 20 0 GHADHP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657311562 846051974 /nfs/dbraw/zinc/05/19/74/846051974.db2.gz NRHAFIPRVCKJQA-IBGZPJMESA-N 2 3 375.520 3.932 20 0 GHADHP C[NH+]1CCC(Oc2ccc(CNC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000556428965 884895102 /nfs/dbraw/zinc/89/51/02/884895102.db2.gz CGIXRCREBHDJLP-UHFFFAOYSA-N 2 3 393.575 3.914 20 0 GHADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001222574247 1030206043 /nfs/dbraw/zinc/20/60/43/1030206043.db2.gz GKLXBDAGEHNULU-HSZRJFAPSA-N 2 3 397.607 3.570 20 0 GHADHP c1ccc(COC[C@H]2CCC3(CCNCC3)[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001222574247 1030206048 /nfs/dbraw/zinc/20/60/48/1030206048.db2.gz GKLXBDAGEHNULU-HSZRJFAPSA-N 2 3 397.607 3.570 20 0 GHADHP CN1C(C)(C)CC([NH2+]CC2(Cc3cccc(F)c3)CC[NH2+]CC2)CC1(C)C ZINC001246379509 1037338252 /nfs/dbraw/zinc/33/82/52/1037338252.db2.gz PGNPPLQZQOJIPG-UHFFFAOYSA-N 2 3 375.576 3.979 20 0 GHADHP COc1cccc(CC2(C[NH2+]C3CC(C)(C)N(C)C(C)(C)C3)CC[NH2+]CC2)c1 ZINC001246387072 1037348177 /nfs/dbraw/zinc/34/81/77/1037348177.db2.gz UZCTUECYWBEOEU-UHFFFAOYSA-N 2 3 387.612 3.849 20 0 GHADHP Clc1ccccc1CC1([NH2+]C2CCC3(CC[NH2+]CC3)CC2)CCNCC1 ZINC001246389002 1037349348 /nfs/dbraw/zinc/34/93/48/1037349348.db2.gz IBAVGQQHZKKYNH-UHFFFAOYSA-N 2 3 375.988 3.907 20 0 GHADHP Fc1cccc([C@H]([NH2+][C@H]2CCN[C@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403578 1037359562 /nfs/dbraw/zinc/35/95/62/1037359562.db2.gz HJNNUJZLJKMGRR-RBZQAINGSA-N 2 3 381.539 3.819 20 0 GHADHP Fc1ccc([C@H](N[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409571 1037364938 /nfs/dbraw/zinc/36/49/38/1037364938.db2.gz XRVYJRXQMHQUMA-HJOGWXRNSA-N 2 3 381.539 3.819 20 0 GHADHP Fc1ccc([C@H]([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)cc1 ZINC001246409571 1037364952 /nfs/dbraw/zinc/36/49/52/1037364952.db2.gz XRVYJRXQMHQUMA-HJOGWXRNSA-N 2 3 381.539 3.819 20 0 GHADHP FC(F)(F)c1ccccc1C1(N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001246454004 1037414516 /nfs/dbraw/zinc/41/45/16/1037414516.db2.gz ZJCNIKHWZUDAFF-APWZRJJASA-N 2 3 381.486 3.796 20 0 GHADHP CC[NH+](CC)CCC[C@H](C)N(Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961293 1037783589 /nfs/dbraw/zinc/78/35/89/1037783589.db2.gz PTEYWBRFEFRRGS-SFHVURJKSA-N 2 3 379.564 3.899 20 0 GHADHP CC[NH+](CC)CCC[C@H](C)[N@H+](Cc1ccc(OC)c(F)c1)C1CCNCC1 ZINC001246961293 1037783613 /nfs/dbraw/zinc/78/36/13/1037783613.db2.gz PTEYWBRFEFRRGS-SFHVURJKSA-N 2 3 379.564 3.899 20 0 GHADHP CC[NH+](CC)CCC[C@H](C)[N@@H+](Cc1ccc(OC)c(F)c1)C1CCNCC1 ZINC001246961293 1037783635 /nfs/dbraw/zinc/78/36/35/1037783635.db2.gz PTEYWBRFEFRRGS-SFHVURJKSA-N 2 3 379.564 3.899 20 0 GHADHP Cc1ccccc1C[N@@H+](C1CCC(N2CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256687551 1043623660 /nfs/dbraw/zinc/62/36/60/1043623660.db2.gz YIJBYORBAWWOPW-SAXTUKQPSA-N 2 3 385.596 3.710 20 0 GHADHP Cc1ccccc1C[N@H+](C1CCC(N2CCOCC2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001256687551 1043623664 /nfs/dbraw/zinc/62/36/64/1043623664.db2.gz YIJBYORBAWWOPW-SAXTUKQPSA-N 2 3 385.596 3.710 20 0 GHADHP CCN(CC)[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000849054716 1057564191 /nfs/dbraw/zinc/56/41/91/1057564191.db2.gz PKLZNSLNILNEBU-QFIPXVFZSA-N 2 3 387.616 3.521 20 0 GHADHP OC1(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)CCN(Cc2ccccc2)CC1 ZINC001246033261 1037148747 /nfs/dbraw/zinc/14/87/47/1037148747.db2.gz UXNHSMZMXYFCJQ-UHFFFAOYSA-N 2 3 399.623 3.649 20 0 GHADHP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123885 1037204994 /nfs/dbraw/zinc/20/49/94/1037204994.db2.gz VHKKWVJMLDSLKS-NZQKXSOJSA-N 2 3 395.566 3.848 20 0 GHADHP c1ccc(C[C@@H]2C[C@@H]([NH2+][C@@H]3CC4(CC[NH2+]CC4)c4ccccc43)CCN2)cc1 ZINC001246256270 1037256491 /nfs/dbraw/zinc/25/64/91/1037256491.db2.gz NVBPSOHMVCYYBP-YZUZCNPQSA-N 2 3 375.560 3.706 20 0 GHADHP Fc1cccc([C@H]([NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)C2CC[NH2+]CC2)c1 ZINC001246403577 1037360781 /nfs/dbraw/zinc/36/07/81/1037360781.db2.gz HJNNUJZLJKMGRR-KMDXXIMOSA-N 2 3 381.539 3.819 20 0 GHADHP FC(F)(F)c1cccc(CC2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)c1 ZINC001246412100 1037368181 /nfs/dbraw/zinc/36/81/81/1037368181.db2.gz GCQJFYCTBBELDE-IBGZPJMESA-N 2 3 395.513 3.882 20 0 GHADHP c1ccc(CN2CCC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685159 /nfs/dbraw/zinc/68/51/59/1037685159.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 2 3 375.560 3.514 20 0 GHADHP c1ccc(CN2CCC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871161 1037685170 /nfs/dbraw/zinc/68/51/70/1037685170.db2.gz CLVHLEKQMLVGHP-SDHSZQHLSA-N 2 3 375.560 3.514 20 0 GHADHP c1ccc(C[NH+]2CCCC3(CCCC[N@@H+](CC[C@H]4CNCCO4)C3)CCC2)cc1 ZINC001235177568 1040668437 /nfs/dbraw/zinc/66/84/37/1040668437.db2.gz QPKHDBRREXUDEV-DEOSSOPVSA-N 2 3 399.623 3.913 20 0 GHADHP c1ccc(C[NH+]2CCCC3(CCCC[N@H+](CC[C@H]4CNCCO4)C3)CCC2)cc1 ZINC001235177568 1040668443 /nfs/dbraw/zinc/66/84/43/1040668443.db2.gz QPKHDBRREXUDEV-DEOSSOPVSA-N 2 3 399.623 3.913 20 0 GHADHP c1ccc(C[N@H+]2CC[C@H](CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482490 /nfs/dbraw/zinc/48/24/90/1041482490.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 2 3 375.560 3.646 20 0 GHADHP c1ccc(C[N@@H+]2CC[C@H](CN3Cc4ccccc4C4(CC[NH2+]CC4)C3)C2)cc1 ZINC001235975815 1041482493 /nfs/dbraw/zinc/48/24/93/1041482493.db2.gz XAEYUTRNVSHIMH-QFIPXVFZSA-N 2 3 375.560 3.646 20 0 GHADHP C[C@H]1CN(CCCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919964 846999220 /nfs/dbraw/zinc/99/92/20/846999220.db2.gz RUAIEOODHSMIDI-CQNRZJDLSA-N 2 3 387.612 3.909 20 0 GHADHP C[C@H]1CN(CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919964 846999224 /nfs/dbraw/zinc/99/92/24/846999224.db2.gz RUAIEOODHSMIDI-CQNRZJDLSA-N 2 3 387.612 3.909 20 0 GHADHP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539820614 869849542 /nfs/dbraw/zinc/84/95/42/869849542.db2.gz BWNUWDQMPIASQG-UHFFFAOYSA-N 2 3 387.612 3.721 20 0 GHADHP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000539820614 869849547 /nfs/dbraw/zinc/84/95/47/869849547.db2.gz BWNUWDQMPIASQG-UHFFFAOYSA-N 2 3 387.612 3.721 20 0 GHADHP CCN1CC[C@H]([NH+](C)CCCCC[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608098 /nfs/dbraw/zinc/60/80/98/890608098.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@H]([NH+](C)CCCCC[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608101 /nfs/dbraw/zinc/60/81/01/890608101.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@H]([N@@H+](C)CCCCC[NH+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608103 /nfs/dbraw/zinc/60/81/03/890608103.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 2 3 380.665 3.766 20 0 GHADHP CCN1CC[C@H]([N@H+](C)CCCCC[NH+](C)[C@@H]2CCN(CC)[C@@H](C)C2)C[C@H]1C ZINC000533447097 890608106 /nfs/dbraw/zinc/60/81/06/890608106.db2.gz ZFFLLBSSBDUVJL-ZCQNZVIGSA-N 2 3 380.665 3.766 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324817 /nfs/dbraw/zinc/32/48/17/933324817.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 2 3 399.623 3.768 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538942 933324829 /nfs/dbraw/zinc/32/48/29/933324829.db2.gz YBISYOHPBQTJAQ-DDKRZIBASA-N 2 3 399.623 3.768 20 0 GHADHP CN(Cc1cccs1)[C@@H]1COC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207483203 1034393450 /nfs/dbraw/zinc/39/34/50/1034393450.db2.gz UWMMYOGFLDMQNI-FQEVSTJZSA-N 2 3 391.625 3.535 20 0 GHADHP FC(F)(F)c1cccc(CC2(C[NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246412608 1037369238 /nfs/dbraw/zinc/36/92/38/1037369238.db2.gz IZJJBKHHYQFSBH-ACDBMABISA-N 2 3 395.513 3.880 20 0 GHADHP Fc1ccccc1CC1(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246431661 1037394266 /nfs/dbraw/zinc/39/42/66/1037394266.db2.gz FTLQPOTWDYBRTM-GOTSBHOMSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246434662 1037396008 /nfs/dbraw/zinc/39/60/08/1037396008.db2.gz HLJDDFAKTDWJJL-UXHICEINSA-N 2 3 395.513 3.882 20 0 GHADHP [NH3+]CC1(c2ccccc2)CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001246589527 1037492562 /nfs/dbraw/zinc/49/25/62/1037492562.db2.gz PBFOWZIOBDOFJW-UHFFFAOYSA-N 2 3 377.576 3.686 20 0 GHADHP COc1ccc(C[N@H+](C2CCNCC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246961639 1037783077 /nfs/dbraw/zinc/78/30/77/1037783077.db2.gz HCSIMYLWKNLNFV-UHFFFAOYSA-N 2 3 389.559 3.701 20 0 GHADHP COc1ccc(C[N@@H+](C2CCNCC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246961639 1037783094 /nfs/dbraw/zinc/78/30/94/1037783094.db2.gz HCSIMYLWKNLNFV-UHFFFAOYSA-N 2 3 389.559 3.701 20 0 GHADHP COc1ccc(CN(C2CC[NH2+]CC2)C2CCC3(CC[NH2+]CC3)CC2)cc1F ZINC001246961639 1037783110 /nfs/dbraw/zinc/78/31/10/1037783110.db2.gz HCSIMYLWKNLNFV-UHFFFAOYSA-N 2 3 389.559 3.701 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256680654 1043618090 /nfs/dbraw/zinc/61/80/90/1043618090.db2.gz ABVMHZHTRUAEMI-IKVFXUPASA-N 2 3 389.559 3.541 20 0 GHADHP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)C2CCC(N3CCOCC3)CC2)CC1 ZINC001256680654 1043618107 /nfs/dbraw/zinc/61/81/07/1043618107.db2.gz ABVMHZHTRUAEMI-IKVFXUPASA-N 2 3 389.559 3.541 20 0 GHADHP CN(Cc1ccccc1)C[C@H](C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020436 /nfs/dbraw/zinc/02/04/36/1069020436.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 3 377.576 3.786 20 0 GHADHP CN(Cc1ccccc1)C[C@H](C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020455 /nfs/dbraw/zinc/02/04/55/1069020455.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 3 377.576 3.786 20 0 GHADHP CN(Cc1ccccc1)C[C@H](C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020470 /nfs/dbraw/zinc/02/04/70/1069020470.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 3 377.576 3.786 20 0 GHADHP CN(Cc1ccccc1)C[C@H](C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC001460603965 1069020489 /nfs/dbraw/zinc/02/04/89/1069020489.db2.gz LGGMUPPOQPTVNP-SDHSZQHLSA-N 2 3 377.576 3.786 20 0 GHADHP CCN1CCC([N@@H+]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000420977001 847603188 /nfs/dbraw/zinc/60/31/88/847603188.db2.gz HLLNKBDHLPQXTK-UHFFFAOYSA-N 2 3 398.639 3.665 20 0 GHADHP CCN1CCC([N@H+]2CCCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000420977001 847603199 /nfs/dbraw/zinc/60/31/99/847603199.db2.gz HLLNKBDHLPQXTK-UHFFFAOYSA-N 2 3 398.639 3.665 20 0 GHADHP CCC1([NH+](C)C)CCN(CCCCCN2CCC(CC)([NH+](C)C)CC2)CC1 ZINC000640017267 910782216 /nfs/dbraw/zinc/78/22/16/910782216.db2.gz JUSWXVMUAMUQMM-UHFFFAOYSA-N 2 3 380.665 3.769 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001204269892 1032713398 /nfs/dbraw/zinc/71/33/98/1032713398.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 2 3 395.591 3.971 20 0 GHADHP C[NH+](C)CCCOc1ccc(C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC001204269892 1032713410 /nfs/dbraw/zinc/71/34/10/1032713410.db2.gz LRVOKKWWHJZSAI-XMMPIXPASA-N 2 3 395.591 3.971 20 0 GHADHP CC[NH+]1CCC(C[N@@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574293 1030204544 /nfs/dbraw/zinc/20/45/44/1030204544.db2.gz HFLIEOWEKUURGR-HSZRJFAPSA-N 2 3 385.596 3.522 20 0 GHADHP CC[NH+]1CCC(C[N@H+]2[C@@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574293 1030204560 /nfs/dbraw/zinc/20/45/60/1030204560.db2.gz HFLIEOWEKUURGR-HSZRJFAPSA-N 2 3 385.596 3.522 20 0 GHADHP CC(C)COCC[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123198 1037203407 /nfs/dbraw/zinc/20/34/07/1037203407.db2.gz UFUDQJYOPUGOHX-FYYLOGMGSA-N 2 3 387.612 3.529 20 0 GHADHP FC(F)(F)c1ccc(C2(N[C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246419021 1037375390 /nfs/dbraw/zinc/37/53/90/1037375390.db2.gz BVVWAOJWSFZJEK-RTBURBONSA-N 2 3 381.486 3.796 20 0 GHADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001474759459 1074547685 /nfs/dbraw/zinc/54/76/85/1074547685.db2.gz MNYQZQHHRYBXQX-OFVILXPXSA-N 2 3 398.639 3.614 20 0 GHADHP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428224282 857204723 /nfs/dbraw/zinc/20/47/23/857204723.db2.gz CJDNVAAZMSBPAL-CXSMSNRLSA-N 2 3 399.623 3.504 20 0 GHADHP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000428224282 857204730 /nfs/dbraw/zinc/20/47/30/857204730.db2.gz CJDNVAAZMSBPAL-CXSMSNRLSA-N 2 3 399.623 3.504 20 0 GHADHP CC[N@H+](C)Cc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133943665 882628435 /nfs/dbraw/zinc/62/84/35/882628435.db2.gz FLGVKAGQMFGTKF-UHFFFAOYSA-N 2 3 394.607 3.959 20 0 GHADHP CC[N@@H+](C)Cc1cccc(CNCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000133943665 882628445 /nfs/dbraw/zinc/62/84/45/882628445.db2.gz FLGVKAGQMFGTKF-UHFFFAOYSA-N 2 3 394.607 3.959 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325481 /nfs/dbraw/zinc/32/54/81/933325481.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 2 3 399.623 3.768 20 0 GHADHP C[C@@H]1CN(CCC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCO1 ZINC000560538946 933325492 /nfs/dbraw/zinc/32/54/92/933325492.db2.gz YBISYOHPBQTJAQ-MJTJJFPGSA-N 2 3 399.623 3.768 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246141303 1037212410 /nfs/dbraw/zinc/21/24/10/1037212410.db2.gz PYJMQVXEYBJMCI-OIBXWCBGSA-N 2 3 379.523 3.975 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+][C@H]2CCC3(C2)CC[NH2+]CC3)CCNCC1 ZINC001246388172 1037348826 /nfs/dbraw/zinc/34/88/26/1037348826.db2.gz MAWSDXPDXYYATM-SFHVURJKSA-N 2 3 395.513 3.882 20 0 GHADHP CC[C@H]1C[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246415450 1037370690 /nfs/dbraw/zinc/37/06/90/1037370690.db2.gz PPFQFYQVOREGDB-RBUKOAKNSA-N 2 3 383.502 3.738 20 0 GHADHP CC(C)CN1CCC([NH2+]CC2(Cc3cccc(Cl)c3)CC[NH2+]CC2)CC1 ZINC001246427857 1037387403 /nfs/dbraw/zinc/38/74/03/1037387403.db2.gz WWUAXFPYFNQXOO-UHFFFAOYSA-N 2 3 378.004 3.962 20 0 GHADHP CC1(C)C[C@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246431066 1037390849 /nfs/dbraw/zinc/39/08/49/1037390849.db2.gz ACGRGXPFYXRFJJ-QGZVFWFLSA-N 2 3 383.502 3.738 20 0 GHADHP CC[C@@H]1C[C@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246431170 1037393820 /nfs/dbraw/zinc/39/38/20/1037393820.db2.gz BZDFENJNQYPMFF-QZTJIDSGSA-N 2 3 383.502 3.738 20 0 GHADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695128 /nfs/dbraw/zinc/69/51/28/1037695128.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 2 3 387.571 3.655 20 0 GHADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([N@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879186 1037695141 /nfs/dbraw/zinc/69/51/41/1037695141.db2.gz MVJHEXJUBGLTIK-JMTTVTNBSA-N 2 3 387.571 3.655 20 0 GHADHP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116281 /nfs/dbraw/zinc/11/62/81/1041116281.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 2 3 396.604 3.521 20 0 GHADHP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@@H]21 ZINC001235664113 1041116292 /nfs/dbraw/zinc/11/62/92/1041116292.db2.gz YOPLPXADZCKRFT-BVYCBKJFSA-N 2 3 396.604 3.521 20 0 GHADHP [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)Cc2ccccc2N2CC[NH2+]CC2)CC1 ZINC001236537242 1041755862 /nfs/dbraw/zinc/75/58/62/1041755862.db2.gz MZDDMIHCBHGDTD-HZCBDIJESA-N 2 3 396.554 3.507 20 0 GHADHP c1ccc(C[NH+]2CCC(CC[NH2+]C3CCC(N4CCOCC4)CC3)CC2)cc1 ZINC001256676654 1043616191 /nfs/dbraw/zinc/61/61/91/1043616191.db2.gz TWZIDMLCVDSNPK-UHFFFAOYSA-N 2 3 385.596 3.522 20 0 GHADHP C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177968636 878932166 /nfs/dbraw/zinc/93/21/66/878932166.db2.gz KLRGSJCGVMNSDR-OAQYLSRUSA-N 2 3 395.591 3.985 20 0 GHADHP CN(c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964626 /nfs/dbraw/zinc/96/46/26/878964626.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 2 3 396.623 3.666 20 0 GHADHP CN(c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CC[NH+](C)CC1 ZINC000246094733 878964636 /nfs/dbraw/zinc/96/46/36/878964636.db2.gz IVZWZICTCHWKIH-OFVILXPXSA-N 2 3 396.623 3.666 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2)CCN1C ZINC000123934352 901999796 /nfs/dbraw/zinc/99/97/96/901999796.db2.gz PFEFUOYOTBDDPO-FAYOUJPWSA-N 2 3 386.628 3.516 20 0 GHADHP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc2)CCN1C ZINC000123934352 901999815 /nfs/dbraw/zinc/99/98/15/901999815.db2.gz PFEFUOYOTBDDPO-FAYOUJPWSA-N 2 3 386.628 3.516 20 0 GHADHP COc1ccc([C@H](CN)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753483 1020358519 /nfs/dbraw/zinc/35/85/19/1020358519.db2.gz XXUPYBPVMCEASQ-HSZRJFAPSA-N 2 3 381.564 3.582 20 0 GHADHP COc1ccc([C@H](CN)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000578753483 1020358531 /nfs/dbraw/zinc/35/85/31/1020358531.db2.gz XXUPYBPVMCEASQ-HSZRJFAPSA-N 2 3 381.564 3.582 20 0 GHADHP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123982 1037204915 /nfs/dbraw/zinc/20/49/15/1037204915.db2.gz WBMYITFETNHYHO-OFNKIYASSA-N 2 3 395.566 3.848 20 0 GHADHP Fc1ccc2c(c1)C1(C[C@@H]2[NH2+][C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC001246136181 1037210029 /nfs/dbraw/zinc/21/00/29/1037210029.db2.gz COZAEQBGDLLAPK-DPLHUUCSSA-N 2 3 393.550 3.845 20 0 GHADHP FC(F)(F)c1cccc(C2(NC3CCC4(CC[NH2+]C4)CC3)CC[NH2+]CC2)c1 ZINC001246430848 1037391554 /nfs/dbraw/zinc/39/15/54/1037391554.db2.gz PRNRPULLJSRMDJ-UHFFFAOYSA-N 2 3 381.486 3.796 20 0 GHADHP c1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640209 /nfs/dbraw/zinc/64/02/09/1041640209.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 2 3 375.560 3.820 20 0 GHADHP c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)C[NH2+]CC4)C3)cc1 ZINC001236242045 1041640213 /nfs/dbraw/zinc/64/02/13/1041640213.db2.gz VLVXPKLVFWYVKN-RUZDIDTESA-N 2 3 375.560 3.820 20 0 GHADHP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000414308435 837024924 /nfs/dbraw/zinc/02/49/24/837024924.db2.gz QDESFZPQZKOLMT-XUZZJYLKSA-N 2 3 399.623 3.646 20 0 GHADHP C[C@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463129485 870942074 /nfs/dbraw/zinc/94/20/74/870942074.db2.gz CVSIQGLVHYJYPO-REWPJTCUSA-N 2 3 381.564 3.770 20 0 GHADHP C[C@H]1C[C@@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129485 870942344 /nfs/dbraw/zinc/94/23/44/870942344.db2.gz CVSIQGLVHYJYPO-REWPJTCUSA-N 2 3 381.564 3.770 20 0 GHADHP CC(CN1CCC(C[N@H+](C)C(C)C)CC1)C[NH+]1CCC(C[NH+](C)C(C)C)CC1 ZINC000533271739 890139785 /nfs/dbraw/zinc/13/97/85/890139785.db2.gz SXDWNGAWVOKLAB-UHFFFAOYSA-N 3 3 394.692 3.727 20 0 GHADHP CC(CN1CCC(C[N@@H+](C)C(C)C)CC1)C[NH+]1CCC(C[NH+](C)C(C)C)CC1 ZINC000533271739 890139792 /nfs/dbraw/zinc/13/97/92/890139792.db2.gz SXDWNGAWVOKLAB-UHFFFAOYSA-N 3 3 394.692 3.727 20 0 GHADHP CC(CN1CCC(C[NH+](C)C(C)C)CC1)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271739 890139800 /nfs/dbraw/zinc/13/98/00/890139800.db2.gz SXDWNGAWVOKLAB-UHFFFAOYSA-N 3 3 394.692 3.727 20 0 GHADHP CC(CN1CCC(C[NH+](C)C(C)C)CC1)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271739 890139806 /nfs/dbraw/zinc/13/98/06/890139806.db2.gz SXDWNGAWVOKLAB-UHFFFAOYSA-N 3 3 394.692 3.727 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001222574248 1030204799 /nfs/dbraw/zinc/20/47/99/1030204799.db2.gz GKLXBDAGEHNULU-QHCPKHFHSA-N 2 3 397.607 3.570 20 0 GHADHP c1ccc(COC[C@@H]2CCC3(CCNCC3)[N@H+]2CC2CC3(C2)CC[NH2+]CC3)cc1 ZINC001222574248 1030204811 /nfs/dbraw/zinc/20/48/11/1030204811.db2.gz GKLXBDAGEHNULU-QHCPKHFHSA-N 2 3 397.607 3.570 20 0 GHADHP CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](CCC1CC[NH+](C)CC1)CC2 ZINC001207483205 1034393793 /nfs/dbraw/zinc/39/37/93/1034393793.db2.gz UWMMYOGFLDMQNI-HXUWFJFHSA-N 2 3 391.625 3.535 20 0 GHADHP Cc1cc(N2CC[NH+](C3CCC4(CCC[NH2+]C4)CC3)CC2)c2ccccc2n1 ZINC001246575617 1037487854 /nfs/dbraw/zinc/48/78/54/1037487854.db2.gz KECLERMLIPMYQD-UHFFFAOYSA-N 2 3 378.564 3.978 20 0 GHADHP Cc1ccc(C[NH+]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989330 854016648 /nfs/dbraw/zinc/01/66/48/854016648.db2.gz XMUBOYHAWDFQEG-CHJXOBGISA-N 2 3 379.592 3.764 20 0 GHADHP Cc1ccc(C[NH+]2C[C@@H]3CN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5CC4CC4)C[C@H]3C2)cc1 ZINC001167989330 854016655 /nfs/dbraw/zinc/01/66/55/854016655.db2.gz XMUBOYHAWDFQEG-CHJXOBGISA-N 2 3 379.592 3.764 20 0 GHADHP C[C@@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000463129482 870943936 /nfs/dbraw/zinc/94/39/36/870943936.db2.gz CVSIQGLVHYJYPO-NFBKMPQASA-N 2 3 381.564 3.770 20 0 GHADHP C[C@@H]1C[C@H](NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463129482 870943953 /nfs/dbraw/zinc/94/39/53/870943953.db2.gz CVSIQGLVHYJYPO-NFBKMPQASA-N 2 3 381.564 3.770 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072388 /nfs/dbraw/zinc/07/23/88/934072388.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072392 /nfs/dbraw/zinc/07/23/92/934072392.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072404 /nfs/dbraw/zinc/07/24/04/934072404.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)C[C@@H]2C)[C@H](C)C1 ZINC001117992953 934072416 /nfs/dbraw/zinc/07/24/16/934072416.db2.gz JMHPLCZQBMWPRC-PFYGBQHCSA-N 2 3 394.692 3.727 20 0 GHADHP [NH3+]C1CCN(c2cccc(N[C@@H](CC3CC[NH2+]CC3)c3ccccc3F)n2)CC1 ZINC001162236287 1025684585 /nfs/dbraw/zinc/68/45/85/1025684585.db2.gz MFEATJJABKYNMG-NRFANRHFSA-N 2 3 397.542 3.691 20 0 GHADHP c1ccc(C[NH+]2CCC(C[N@@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001222595730 1030221772 /nfs/dbraw/zinc/22/17/72/1030221772.db2.gz HTLLGWVLNBOFJU-XMMPIXPASA-N 2 3 375.560 3.588 20 0 GHADHP c1ccc(C[NH+]2CCC(C[N@H+]3C[C@H](c4ccccc4)C4(CNC4)C3)CC2)cc1 ZINC001222595730 1030221788 /nfs/dbraw/zinc/22/17/88/1030221788.db2.gz HTLLGWVLNBOFJU-XMMPIXPASA-N 2 3 375.560 3.588 20 0 GHADHP Brc1ccc(C2(N[C@@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)cc1 ZINC001246184472 1037226490 /nfs/dbraw/zinc/22/64/90/1037226490.db2.gz MBMRSEUQBMGIJE-GOSISDBHSA-N 2 3 392.385 3.540 20 0 GHADHP Brc1ccc(C2(NC3CCC4(CC[NH2+]C4)CC3)CC[NH2+]CC2)cc1 ZINC001246182307 1037226587 /nfs/dbraw/zinc/22/65/87/1037226587.db2.gz AEGHNOMBPCNJJE-UHFFFAOYSA-N 2 3 392.385 3.540 20 0 GHADHP c1ccc(C[C@@H]2C[C@H]([NH2+][C@H]3CC4(CC[NH2+]CC4)c4ccccc43)CCN2)cc1 ZINC001246256268 1037257111 /nfs/dbraw/zinc/25/71/11/1037257111.db2.gz NVBPSOHMVCYYBP-LGVFNWMJSA-N 2 3 375.560 3.706 20 0 GHADHP Fc1ccc(CC2(C[NH2+][C@H]3CCN[C@H](Cc4ccccc4)C3)CC[NH2+]CC2)cc1 ZINC001246384685 1037344773 /nfs/dbraw/zinc/34/47/73/1037344773.db2.gz OJOULILWOHCHOM-BJKOFHAPSA-N 2 3 395.566 3.691 20 0 GHADHP FC(F)(F)c1ccccc1CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3)CC[NH2+]CC1 ZINC001246435030 1037395101 /nfs/dbraw/zinc/39/51/01/1037395101.db2.gz RRYFGDVNXNBCJO-BWTSREIZSA-N 2 3 395.513 3.880 20 0 GHADHP c1cc2c(cc1CN1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041529984 /nfs/dbraw/zinc/52/99/84/1041529984.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 2 3 377.576 3.727 20 0 GHADHP c1cc2c(cc1CN1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)CC[NH2+]C2 ZINC001236093663 1041530011 /nfs/dbraw/zinc/53/00/11/1041530011.db2.gz WJNRQZODAILCCC-ZYQDXHPFSA-N 2 3 377.576 3.727 20 0 GHADHP C[C@H](c1ccccc1)[NH+]1CCC(NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001308271471 1049932794 /nfs/dbraw/zinc/93/27/94/1049932794.db2.gz SNJPMCKYOZCBMK-HXUWFJFHSA-N 2 3 381.564 3.942 20 0 GHADHP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690146 837680482 /nfs/dbraw/zinc/68/04/82/837680482.db2.gz XKXQTYBZJAYFFL-HYBUGGRVSA-N 2 3 385.596 3.794 20 0 GHADHP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655690146 837680492 /nfs/dbraw/zinc/68/04/92/837680492.db2.gz XKXQTYBZJAYFFL-HYBUGGRVSA-N 2 3 385.596 3.794 20 0 GHADHP Cc1cccc(N2CC[NH+](CCCCN[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000422805472 847831216 /nfs/dbraw/zinc/83/12/16/847831216.db2.gz GZLLJHZQBJPYLM-DNQXCXABSA-N 2 3 378.564 3.632 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029853 883096684 /nfs/dbraw/zinc/09/66/84/883096684.db2.gz BGZWPABYBHAEMB-UPVQGACJSA-N 2 3 381.564 3.942 20 0 GHADHP C[NH+](C)CCCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000551029853 883096691 /nfs/dbraw/zinc/09/66/91/883096691.db2.gz BGZWPABYBHAEMB-UPVQGACJSA-N 2 3 381.564 3.942 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485818 898705643 /nfs/dbraw/zinc/70/56/43/898705643.db2.gz PIAWOYODVHTWPF-ZKMPZPQNSA-N 2 3 399.623 3.768 20 0 GHADHP COCCCN1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000569485818 898705650 /nfs/dbraw/zinc/70/56/50/898705650.db2.gz PIAWOYODVHTWPF-ZKMPZPQNSA-N 2 3 399.623 3.768 20 0 GHADHP C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062284 922739289 /nfs/dbraw/zinc/73/92/89/922739289.db2.gz QGGIEHUIWOUVGO-PCMWIDPESA-N 2 3 383.580 3.543 20 0 GHADHP C[C@@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062284 922739294 /nfs/dbraw/zinc/73/92/94/922739294.db2.gz QGGIEHUIWOUVGO-PCMWIDPESA-N 2 3 383.580 3.543 20 0 GHADHP C[C@@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062284 922739301 /nfs/dbraw/zinc/73/93/01/922739301.db2.gz QGGIEHUIWOUVGO-PCMWIDPESA-N 2 3 383.580 3.543 20 0 GHADHP C[C@@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062284 922739308 /nfs/dbraw/zinc/73/93/08/922739308.db2.gz QGGIEHUIWOUVGO-PCMWIDPESA-N 2 3 383.580 3.543 20 0 GHADHP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246122464 1037200441 /nfs/dbraw/zinc/20/04/41/1037200441.db2.gz QSNYZPAYRKGCNK-TZIWHRDSSA-N 2 3 389.653 3.998 20 0 GHADHP FC(F)(F)c1ccc(C2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)cc1 ZINC001246420010 1037377681 /nfs/dbraw/zinc/37/76/81/1037377681.db2.gz VPQFCRAIIGURFG-BWTSREIZSA-N 2 3 381.486 3.589 20 0 GHADHP CC[NH+](CC)CCC[C@@H](C)N(Cc1cccc(C(=O)OC)c1)C1CC[NH2+]CC1 ZINC001246959950 1037776154 /nfs/dbraw/zinc/77/61/54/1037776154.db2.gz UUTQWOLWWYDBIN-LJQANCHMSA-N 2 3 389.584 3.538 20 0 GHADHP CC[NH+](CC)CCC[C@@H](C)[N@H+](Cc1cccc(C(=O)OC)c1)C1CCNCC1 ZINC001246959950 1037776166 /nfs/dbraw/zinc/77/61/66/1037776166.db2.gz UUTQWOLWWYDBIN-LJQANCHMSA-N 2 3 389.584 3.538 20 0 GHADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1cccc(C(=O)OC)c1)C1CCNCC1 ZINC001246959950 1037776174 /nfs/dbraw/zinc/77/61/74/1037776174.db2.gz UUTQWOLWWYDBIN-LJQANCHMSA-N 2 3 389.584 3.538 20 0 GHADHP Fc1cc(C[N@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)ccc1C(F)(F)F ZINC001246966703 1037789889 /nfs/dbraw/zinc/78/98/89/1037789889.db2.gz ZNHLIYGDFZDMGB-MRXNPFEDSA-N 2 3 385.449 3.541 20 0 GHADHP Fc1cc(C[N@@H+]([C@@H]2CCC3(C[NH2+]C3)C2)C2CCNCC2)ccc1C(F)(F)F ZINC001246966703 1037789909 /nfs/dbraw/zinc/78/99/09/1037789909.db2.gz ZNHLIYGDFZDMGB-MRXNPFEDSA-N 2 3 385.449 3.541 20 0 GHADHP Fc1cc(CN([C@@H]2CCC3(C[NH2+]C3)C2)C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC001246966703 1037789928 /nfs/dbraw/zinc/78/99/28/1037789928.db2.gz ZNHLIYGDFZDMGB-MRXNPFEDSA-N 2 3 385.449 3.541 20 0 GHADHP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118350 /nfs/dbraw/zinc/11/83/50/1041118350.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 2 3 396.604 3.521 20 0 GHADHP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(Cc3cc4c(s3)C[NH2+]CC4)C[C@H]21 ZINC001235664118 1041118357 /nfs/dbraw/zinc/11/83/57/1041118357.db2.gz YOPLPXADZCKRFT-STZQEDGTSA-N 2 3 396.604 3.521 20 0 GHADHP C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311800 846040684 /nfs/dbraw/zinc/04/06/84/846040684.db2.gz VNAZPQSWNVFTAO-LJQANCHMSA-N 2 3 375.520 3.789 20 0 GHADHP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311800 846040692 /nfs/dbraw/zinc/04/06/92/846040692.db2.gz VNAZPQSWNVFTAO-LJQANCHMSA-N 2 3 375.520 3.789 20 0 GHADHP c1ccc(CN2C[C@@H]3CCC[C@H]([NH2+]C4CCN(c5cc[nH+]cc5)CC4)[C@@H]3C2)cc1 ZINC000656537878 857337230 /nfs/dbraw/zinc/33/72/30/857337230.db2.gz GOOBWFCHKPUQNO-GPUOULLFSA-N 2 3 390.575 3.941 20 0 GHADHP CC(C)N1CCC([NH+](C)CCCCC[N@@H+](C)C2CCN(C(C)C)CC2)CC1 ZINC000077274152 857450371 /nfs/dbraw/zinc/45/03/71/857450371.db2.gz RYNUGHZBFODIEC-UHFFFAOYSA-N 2 3 380.665 3.766 20 0 GHADHP CC(C)N1CCC([NH+](C)CCCCC[N@H+](C)C2CCN(C(C)C)CC2)CC1 ZINC000077274152 857450380 /nfs/dbraw/zinc/45/03/80/857450380.db2.gz RYNUGHZBFODIEC-UHFFFAOYSA-N 2 3 380.665 3.766 20 0 GHADHP Cc1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C[NH+](C)C)c1 ZINC001170527914 885538135 /nfs/dbraw/zinc/53/81/35/885538135.db2.gz DBDRRHMQTMULCD-UHFFFAOYSA-N 2 3 390.575 3.966 20 0 GHADHP CN(Cc1cccs1)[C@H]1COC2(C1)CC[NH+](C1CCC([NH+](C)C)CC1)CC2 ZINC001168318797 886148434 /nfs/dbraw/zinc/14/84/34/886148434.db2.gz GTXJPRNZAYZCEI-SOAGJPPSSA-N 2 3 391.625 3.676 20 0 GHADHP c1c(CN2CCCC3(CCCC[NH2+]C3)CCC2)c2cccc3c2n1CC[NH2+]C3 ZINC001222120338 1029971004 /nfs/dbraw/zinc/97/10/04/1029971004.db2.gz VFDPVMUCOIWWRV-UHFFFAOYSA-N 2 3 380.580 3.880 20 0 GHADHP FC(F)(F)c1cccc(CC2(C[NH2+][C@H]3C[C@H]4CCC[C@@H](C3)N4)CC[NH2+]CC2)c1 ZINC001246412612 1037369447 /nfs/dbraw/zinc/36/94/47/1037369447.db2.gz IZJJBKHHYQFSBH-PMOLBWCYSA-N 2 3 395.513 3.880 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+][C@H]3CCC[C@]4(CC[NH2+]C4)C3)CCNCC2)cc1 ZINC001246429826 1037388719 /nfs/dbraw/zinc/38/87/19/1037388719.db2.gz RLXKCHXALYBDPZ-PMACEKPBSA-N 2 3 395.513 3.882 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+][C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CCNCC2)c1 ZINC001246434664 1037395260 /nfs/dbraw/zinc/39/52/60/1037395260.db2.gz HLJDDFAKTDWJJL-WOJBJXKFSA-N 2 3 395.513 3.882 20 0 GHADHP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001474759461 1074547674 /nfs/dbraw/zinc/54/76/74/1074547674.db2.gz MNYQZQHHRYBXQX-SQJMNOBHSA-N 2 3 398.639 3.614 20 0 GHADHP C[C@@H]1CN(CCCC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919969 846999302 /nfs/dbraw/zinc/99/93/02/846999302.db2.gz RUAIEOODHSMIDI-MNZGCLKASA-N 2 3 387.612 3.909 20 0 GHADHP C[C@@H]1CN(CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000559919969 846999309 /nfs/dbraw/zinc/99/93/09/846999309.db2.gz RUAIEOODHSMIDI-MNZGCLKASA-N 2 3 387.612 3.909 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+]([C@@H](C)CCN2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237491 /nfs/dbraw/zinc/23/74/91/860237491.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+]([C@@H](C)CCN2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237500 /nfs/dbraw/zinc/23/75/00/860237500.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN(CC[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237511 /nfs/dbraw/zinc/23/75/11/860237511.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN(CC[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237514 /nfs/dbraw/zinc/23/75/14/860237514.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+](CC[C@H](C)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237525 /nfs/dbraw/zinc/23/75/25/860237525.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CC[NH+](CC[C@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237533 /nfs/dbraw/zinc/23/75/33/860237533.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN([C@@H](C)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237546 /nfs/dbraw/zinc/23/75/46/860237546.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP CC(C)[NH+](C)CC1CCN([C@@H](C)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000533408906 860237556 /nfs/dbraw/zinc/23/75/56/860237556.db2.gz LKMMNNNKFDPFQR-QFIPXVFZSA-N 3 3 394.692 3.869 20 0 GHADHP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307058 861000326 /nfs/dbraw/zinc/00/03/26/861000326.db2.gz ITQZSPKSFNWRDQ-YKSBVNFPSA-N 2 3 381.564 3.627 20 0 GHADHP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(OCC[NH+](C)C)c1 ZINC000481307058 861000334 /nfs/dbraw/zinc/00/03/34/861000334.db2.gz ITQZSPKSFNWRDQ-YKSBVNFPSA-N 2 3 381.564 3.627 20 0 GHADHP C[C@H](Cc1ccccc1F)[NH2+]C[C@H]1CN(Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001246123889 1037204240 /nfs/dbraw/zinc/20/42/40/1037204240.db2.gz VHKKWVJMLDSLKS-OFNKIYASSA-N 2 3 395.566 3.848 20 0 GHADHP C[C@H]1CC([NH2+]Cc2ccccc2N2CC[NH2+]CC2)C[C@H](C)N1Cc1ccccc1 ZINC001246315054 1037293137 /nfs/dbraw/zinc/29/31/37/1037293137.db2.gz FVGGSDRLQYOREZ-SFTDATJTSA-N 2 3 392.591 3.627 20 0 GHADHP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@@H]2CCN[C@H](Cc3ccccc3)C2)CC1 ZINC001246358730 1037318153 /nfs/dbraw/zinc/31/81/53/1037318153.db2.gz AXLJYJAARGDLCU-DNQXCXABSA-N 2 3 395.566 3.991 20 0 GHADHP FC(F)(F)c1ccccc1CC1([NH2+][C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CCNCC1 ZINC001246386345 1037346323 /nfs/dbraw/zinc/34/63/23/1037346323.db2.gz IIWOVUNTFYDVMN-QUCCMNQESA-N 2 3 395.513 3.882 20 0 GHADHP CC1(C)C[C@H]([NH2+]CC2(Cc3cccc(C(F)(F)F)c3)CC[NH2+]CC2)CCN1 ZINC001246417753 1037373296 /nfs/dbraw/zinc/37/32/96/1037373296.db2.gz WVWKQRUJVIUVHQ-GOSISDBHSA-N 2 3 383.502 3.738 20 0 GHADHP CC[C@H]1C[C@@H]([NH2+]CC2(Cc3ccccc3C(F)(F)F)CC[NH2+]CC2)CCN1 ZINC001246431171 1037393169 /nfs/dbraw/zinc/39/31/69/1037393169.db2.gz BZDFENJNQYPMFF-ROUUACIJSA-N 2 3 383.502 3.738 20 0 GHADHP FC(F)(F)c1ccccc1CC1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246431238 1037394537 /nfs/dbraw/zinc/39/45/37/1037394537.db2.gz CZLLRTFRCRVNED-GOSISDBHSA-N 2 3 395.513 3.882 20 0 GHADHP FC(F)(F)c1ccc(CC2(C[NH2+][C@H]3CCNC4(CCC4)C3)CC[NH2+]CC2)cc1 ZINC001246434126 1037396064 /nfs/dbraw/zinc/39/60/64/1037396064.db2.gz OIVAQTPBIPHSLT-IBGZPJMESA-N 2 3 395.513 3.882 20 0 GHADHP NC1(Cc2ccccc2C(F)(F)F)CC[NH+]([C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246435735 1037396751 /nfs/dbraw/zinc/39/67/51/1037396751.db2.gz KRFKXSJKCHEBNM-AZUAARDMSA-N 2 3 395.513 3.964 20 0 GHADHP NC1(Cc2cccc(C(F)(F)F)c2)CC[NH+]([C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246439031 1037402342 /nfs/dbraw/zinc/40/23/42/1037402342.db2.gz RJTGQWJIRKRCKK-PMACEKPBSA-N 2 3 395.513 3.964 20 0 GHADHP Cc1cc(N2CCN(C3CCN(c4cc[nH+]cc4)CC3)CC2)c2ccccc2[nH+]1 ZINC001256855809 1043704986 /nfs/dbraw/zinc/70/49/86/1043704986.db2.gz WWDHHQANKJBMTE-UHFFFAOYSA-N 2 3 387.531 3.729 20 0 GHADHP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423044961 847954137 /nfs/dbraw/zinc/95/41/37/847954137.db2.gz RNDAATKCZCXYGB-VRVWEWRLSA-N 2 3 391.559 3.743 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000536652132 893425501 /nfs/dbraw/zinc/42/55/01/893425501.db2.gz PONOIWHMMBLXCQ-UHFFFAOYSA-N 2 3 386.628 3.771 20 0 GHADHP CCCN1CCN(c2ccccc2C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000536652132 893425509 /nfs/dbraw/zinc/42/55/09/893425509.db2.gz PONOIWHMMBLXCQ-UHFFFAOYSA-N 2 3 386.628 3.771 20 0 GHADHP C[C@H](N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000902506287 922247549 /nfs/dbraw/zinc/24/75/49/922247549.db2.gz XTTJGZITOISEEA-OEOAZWSVSA-N 2 3 395.547 3.534 20 0 GHADHP COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](CCCN2CCCCC2)CC3)c1 ZINC001209449991 1035276896 /nfs/dbraw/zinc/27/68/96/1035276896.db2.gz GLBUPQJOYIEGLO-UHFFFAOYSA-N 2 3 385.596 3.859 20 0 GHADHP COc1cccc(C[N@H+]2CCC3(C2)CC[NH+](CCCN2CCCCC2)CC3)c1 ZINC001209449991 1035276902 /nfs/dbraw/zinc/27/69/02/1035276902.db2.gz GLBUPQJOYIEGLO-UHFFFAOYSA-N 2 3 385.596 3.859 20 0 GHADHP FC(F)(F)c1ccccc1C1(C[NH2+][C@@H]2CCNC3(CCC3)C2)CC[NH2+]CC1 ZINC001246422738 1037380986 /nfs/dbraw/zinc/38/09/86/1037380986.db2.gz KLHKFYYAKQBGPK-MRXNPFEDSA-N 2 3 381.486 3.591 20 0 GHADHP CN1C(C)(C)CC([NH2+]CC2(Cc3ccccc3F)CC[NH2+]CC2)CC1(C)C ZINC001246436740 1037399497 /nfs/dbraw/zinc/39/94/97/1037399497.db2.gz YQUHNIMQLVFPPQ-UHFFFAOYSA-N 2 3 375.576 3.979 20 0 GHADHP c1ccc(CN2CCC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686142 /nfs/dbraw/zinc/68/61/42/1037686142.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 2 3 375.560 3.514 20 0 GHADHP c1ccc(CN2CCC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)CC2)cc1 ZINC001246871160 1037686154 /nfs/dbraw/zinc/68/61/54/1037686154.db2.gz CLVHLEKQMLVGHP-DSITVLBTSA-N 2 3 375.560 3.514 20 0 GHADHP c1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640173 /nfs/dbraw/zinc/64/01/73/1041640173.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 2 3 375.560 3.820 20 0 GHADHP c1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc4c(c2)CC[NH2+]C4)C3)cc1 ZINC001236241199 1041640177 /nfs/dbraw/zinc/64/01/77/1041640177.db2.gz QUANUVZGXXZOCY-RUZDIDTESA-N 2 3 375.560 3.820 20 0 GHADHP C[NH+](C)CCCC1CCN(Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1 ZINC001474342717 1074352516 /nfs/dbraw/zinc/35/25/16/1074352516.db2.gz DOLINWWTUDMUFN-UHFFFAOYSA-N 2 3 397.510 3.624 20 0 GHADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001474759460 1074548116 /nfs/dbraw/zinc/54/81/16/1074548116.db2.gz MNYQZQHHRYBXQX-PXDATVDWSA-N 2 3 398.639 3.614 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072869 /nfs/dbraw/zinc/07/28/69/934072869.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072877 /nfs/dbraw/zinc/07/28/77/934072877.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072884 /nfs/dbraw/zinc/07/28/84/934072884.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 2 3 394.692 3.727 20 0 GHADHP CCN1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(CC)C[C@H]2C)[C@H](C)C1 ZINC001117992955 934072891 /nfs/dbraw/zinc/07/28/91/934072891.db2.gz JMHPLCZQBMWPRC-ZSXJVMONSA-N 2 3 394.692 3.727 20 0 GHADHP CC[NH+]1CCC(C[N@@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574294 1030204609 /nfs/dbraw/zinc/20/46/09/1030204609.db2.gz HFLIEOWEKUURGR-QHCPKHFHSA-N 2 3 385.596 3.522 20 0 GHADHP CC[NH+]1CCC(C[N@H+]2[C@H](COCc3ccccc3)CCC23CCNCC3)CC1 ZINC001222574294 1030204619 /nfs/dbraw/zinc/20/46/19/1030204619.db2.gz HFLIEOWEKUURGR-QHCPKHFHSA-N 2 3 385.596 3.522 20 0 GHADHP COc1ccc2c(c1)C1(C[C@@H]2N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001246126384 1037206831 /nfs/dbraw/zinc/20/68/31/1037206831.db2.gz LIQHJLCWJQSRMW-IGKWTDBASA-N 2 3 391.559 3.844 20 0 GHADHP Brc1ccc(C2(N[C@@H]3CCC[C@@]4(CC[NH2+]C4)C3)CC[NH2+]CC2)cc1 ZINC001246186187 1037227812 /nfs/dbraw/zinc/22/78/12/1037227812.db2.gz XGSCRFXMTHNZKI-RTBURBONSA-N 2 3 392.385 3.540 20 0 GHADHP Fc1ccccc1C[NH+]1CCC(C[NH2+][C@H]2CCN[C@@H](Cc3ccccc3)C2)CC1 ZINC001246358735 1037317717 /nfs/dbraw/zinc/31/77/17/1037317717.db2.gz AXLJYJAARGDLCU-ZEQRLZLVSA-N 2 3 395.566 3.991 20 0 GHADHP FC(F)(F)c1ccc(CC2([NH2+]C3CCC4(CC[NH2+]C4)CC3)CCNCC2)cc1 ZINC001246426887 1037385278 /nfs/dbraw/zinc/38/52/78/1037385278.db2.gz DXXJUEOFUOTDGF-UHFFFAOYSA-N 2 3 395.513 3.882 20 0 GHADHP Clc1cccc(C2(C[NH2+][C@@H]3CCN[C@@H](Cc4ccccc4)C3)CC[NH2+]CC2)c1 ZINC001246427923 1037388120 /nfs/dbraw/zinc/38/81/20/1037388120.db2.gz NRSFLWSRWOEBPJ-PKTZIBPZSA-N 2 3 397.994 3.914 20 0 GHADHP FC(F)(F)c1cccc(CC2([NH2+][C@H]3CCC4(C3)CC[NH2+]CC4)CCNCC2)c1 ZINC001246432520 1037394164 /nfs/dbraw/zinc/39/41/64/1037394164.db2.gz BJKYPWXBSQJOJX-IBGZPJMESA-N 2 3 395.513 3.882 20 0 GHADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694251 /nfs/dbraw/zinc/69/42/51/1037694251.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 2 3 387.571 3.655 20 0 GHADHP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([N@H+]2C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C2)C3)cc1 ZINC001246879188 1037694262 /nfs/dbraw/zinc/69/42/62/1037694262.db2.gz MVJHEXJUBGLTIK-RTJMFUJLSA-N 2 3 387.571 3.655 20 0 GHADHP COc1cccc(C[NH+]2CCC3(CC2)CC[NH+]([C@@H]2CCCN(C)CC2)CC3)c1 ZINC001254517423 1040293541 /nfs/dbraw/zinc/29/35/41/1040293541.db2.gz GQTYAKVBRZYJFS-JOCHJYFZSA-N 2 3 385.596 3.858 20 0 GHADHP CC(C)([NH3+])CCNCCC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255133139 1040831295 /nfs/dbraw/zinc/83/12/95/1040831295.db2.gz ZNJPCXYWWSAEJV-DKUWSORSSA-N 2 3 386.628 3.657 20 0 GHADHP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423044960 847953841 /nfs/dbraw/zinc/95/38/41/847953841.db2.gz RNDAATKCZCXYGB-FEGXGRLVSA-N 2 3 391.559 3.743 20 0 GHADHP C[N@@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007338 /nfs/dbraw/zinc/00/73/38/884007338.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 2 3 393.575 3.568 20 0 GHADHP C[N@H+]1CC[C@H](NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007358 /nfs/dbraw/zinc/00/73/58/884007358.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007376 /nfs/dbraw/zinc/00/73/76/884007376.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 2 3 393.575 3.568 20 0 GHADHP C[NH+]1CC[C@H](NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@@H]1c1ccccc1 ZINC000556170842 884007395 /nfs/dbraw/zinc/00/73/95/884007395.db2.gz OMPBIOFJTOIEEC-ISJGIBHGSA-N 2 3 393.575 3.568 20 0 GHADHP CCN1CCN(Cc2ccc(C[NH2+]C3CCC([NH+](CC)CC)CC3)cc2)CC1 ZINC001173103647 906190908 /nfs/dbraw/zinc/19/09/08/906190908.db2.gz NBDHVRYZHVUBCA-UHFFFAOYSA-N 2 3 386.628 3.567 20 0 GHADHP C[C@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062283 922739125 /nfs/dbraw/zinc/73/91/25/922739125.db2.gz QGGIEHUIWOUVGO-HHXBKOCCSA-N 2 3 383.580 3.543 20 0 GHADHP C[C@H]1CN(Cc2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062283 922739128 /nfs/dbraw/zinc/73/91/28/922739128.db2.gz QGGIEHUIWOUVGO-HHXBKOCCSA-N 2 3 383.580 3.543 20 0 GHADHP C[C@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062283 922739142 /nfs/dbraw/zinc/73/91/42/922739142.db2.gz QGGIEHUIWOUVGO-HHXBKOCCSA-N 2 3 383.580 3.543 20 0 GHADHP C[C@H]1CN(Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC3)cc2)C[C@H](C)O1 ZINC000903062283 922739153 /nfs/dbraw/zinc/73/91/53/922739153.db2.gz QGGIEHUIWOUVGO-HHXBKOCCSA-N 2 3 383.580 3.543 20 0 GHADHP [NH3+]C1CCN(Cc2ccccc2-c2ccc(COC3CC[NH2+]CC3)cc2)CC1 ZINC001245407962 1036911495 /nfs/dbraw/zinc/91/14/95/1036911495.db2.gz MPLRDFLEYYZAKW-UHFFFAOYSA-N 2 3 379.548 3.545 20 0 GHADHP Brc1ccc(C2(N[C@H]3CCC4(C3)CC[NH2+]CC4)CC[NH2+]CC2)cc1 ZINC001246184473 1037225800 /nfs/dbraw/zinc/22/58/00/1037225800.db2.gz MBMRSEUQBMGIJE-SFHVURJKSA-N 2 3 392.385 3.540 20 0 GHADHP CC[NH+](CC)CCC[C@@H](C)N(Cc1ccc(OC)c(F)c1)C1CC[NH2+]CC1 ZINC001246961292 1037782616 /nfs/dbraw/zinc/78/26/16/1037782616.db2.gz PTEYWBRFEFRRGS-GOSISDBHSA-N 2 3 379.564 3.899 20 0 GHADHP CC[NH+](CC)CCC[C@@H](C)[N@H+](Cc1ccc(OC)c(F)c1)C1CCNCC1 ZINC001246961292 1037782639 /nfs/dbraw/zinc/78/26/39/1037782639.db2.gz PTEYWBRFEFRRGS-GOSISDBHSA-N 2 3 379.564 3.899 20 0 GHADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+](Cc1ccc(OC)c(F)c1)C1CCNCC1 ZINC001246961292 1037782656 /nfs/dbraw/zinc/78/26/56/1037782656.db2.gz PTEYWBRFEFRRGS-GOSISDBHSA-N 2 3 379.564 3.899 20 0 GHADHP CC1(C[N@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CCNCC2)CC[NH2+]CC1 ZINC001236490571 1041737458 /nfs/dbraw/zinc/73/74/58/1041737458.db2.gz GUCWBHJLIRFDGL-UHFFFAOYSA-N 2 3 387.465 3.788 20 0 GHADHP CC1(C[N@@H+](Cc2ccc(C(F)(F)F)c(F)c2)C2CCNCC2)CC[NH2+]CC1 ZINC001236490571 1041737464 /nfs/dbraw/zinc/73/74/64/1041737464.db2.gz GUCWBHJLIRFDGL-UHFFFAOYSA-N 2 3 387.465 3.788 20 0 GHADHP [NH3+]C1(Cc2cccc(Cl)c2)CCN(C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001256854039 1043703478 /nfs/dbraw/zinc/70/34/78/1043703478.db2.gz HINFZRSYKFQIAW-UHFFFAOYSA-N 2 3 384.955 3.740 20 0 GHADHP