smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000032776773 525251377 /nfs/dbraw/zinc/25/13/77/525251377.db2.gz OUNHDKOTXKIIOB-NRFANRHFSA-N 2 2 424.545 2.975 50 0 HFAALP COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000032776773 525251383 /nfs/dbraw/zinc/25/13/83/525251383.db2.gz OUNHDKOTXKIIOB-NRFANRHFSA-N 2 2 424.545 2.975 50 0 HFAALP CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019890001 558302703 /nfs/dbraw/zinc/30/27/03/558302703.db2.gz ZLDPEZBSLSJDPH-QFIPXVFZSA-N 2 2 420.513 2.531 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000020351649 558356560 /nfs/dbraw/zinc/35/65/60/558356560.db2.gz XUQGBLOZXXSHBD-OAQYLSRUSA-N 2 2 401.551 2.597 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000020351649 558356563 /nfs/dbraw/zinc/35/65/63/558356563.db2.gz XUQGBLOZXXSHBD-OAQYLSRUSA-N 2 2 401.551 2.597 50 0 HFAALP Cc1cc(-n2cccn2)ccc1C[NH+]1CC[C@@H]([N@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373920 /nfs/dbraw/zinc/37/39/20/558373920.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 2 2 405.546 2.685 50 0 HFAALP Cc1cc(-n2cccn2)ccc1C[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373922 /nfs/dbraw/zinc/37/39/22/558373922.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 2 2 405.546 2.685 50 0 HFAALP Cc1cc(-n2cccn2)ccc1C[N@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373924 /nfs/dbraw/zinc/37/39/24/558373924.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 2 2 405.546 2.685 50 0 HFAALP Cc1cc(-n2cccn2)ccc1C[N@@H+]1CC[C@@H]([NH+](C)CCc2ccccn2)[C@H](O)C1 ZINC000012304619 558373926 /nfs/dbraw/zinc/37/39/26/558373926.db2.gz ANQWAEIFAAMNDO-DNQXCXABSA-N 2 2 405.546 2.685 50 0 HFAALP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000020664847 558398073 /nfs/dbraw/zinc/39/80/73/558398073.db2.gz AEXZDVNIEVOQMC-UHFFFAOYSA-N 2 2 412.603 2.554 50 0 HFAALP COc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000026866658 558665948 /nfs/dbraw/zinc/66/59/48/558665948.db2.gz IGXZTCXVXSCCKH-UHFFFAOYSA-N 2 2 401.482 2.737 50 0 HFAALP COc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000026866658 558665951 /nfs/dbraw/zinc/66/59/51/558665951.db2.gz IGXZTCXVXSCCKH-UHFFFAOYSA-N 2 2 401.482 2.737 50 0 HFAALP CCCC[N@H+](C)CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004669986 558880657 /nfs/dbraw/zinc/88/06/57/558880657.db2.gz CJPRVDZPRWFAAH-NRFANRHFSA-N 2 2 411.550 2.642 50 0 HFAALP CCCC[N@@H+](C)CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004669986 558880660 /nfs/dbraw/zinc/88/06/60/558880660.db2.gz CJPRVDZPRWFAAH-NRFANRHFSA-N 2 2 411.550 2.642 50 0 HFAALP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1OCc1c(C)noc1C ZINC000058004430 558894187 /nfs/dbraw/zinc/89/41/87/558894187.db2.gz PULUKXKZRUCCBH-LJQANCHMSA-N 2 2 403.523 2.815 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc[nH+]1 ZINC000071638988 558906097 /nfs/dbraw/zinc/90/60/97/558906097.db2.gz YQLFQXATMXVRLJ-SFHVURJKSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc[nH+]1 ZINC000071638988 558906102 /nfs/dbraw/zinc/90/61/02/558906102.db2.gz YQLFQXATMXVRLJ-SFHVURJKSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH+]cn1 ZINC000071638988 558906106 /nfs/dbraw/zinc/90/61/06/558906106.db2.gz YQLFQXATMXVRLJ-SFHVURJKSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)[nH+]cn1 ZINC000071638988 558906109 /nfs/dbraw/zinc/90/61/09/558906109.db2.gz YQLFQXATMXVRLJ-SFHVURJKSA-N 2 2 400.571 2.600 50 0 HFAALP Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082096933 559037532 /nfs/dbraw/zinc/03/75/32/559037532.db2.gz FOAJMLAMRFDNES-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082096933 559037534 /nfs/dbraw/zinc/03/75/34/559037534.db2.gz FOAJMLAMRFDNES-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP O=C(NCCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099628 559038075 /nfs/dbraw/zinc/03/80/75/559038075.db2.gz GUDKWFVPXYOQEX-JOCHJYFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099628 559038076 /nfs/dbraw/zinc/03/80/76/559038076.db2.gz GUDKWFVPXYOQEX-JOCHJYFZSA-N 2 2 407.562 2.512 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082117000 559039133 /nfs/dbraw/zinc/03/91/33/559039133.db2.gz SMTKPQKTYIHMCR-LJQANCHMSA-N 2 2 413.591 2.873 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082117000 559039134 /nfs/dbraw/zinc/03/91/34/559039134.db2.gz SMTKPQKTYIHMCR-LJQANCHMSA-N 2 2 413.591 2.873 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082116298 559039261 /nfs/dbraw/zinc/03/92/61/559039261.db2.gz WSCWVAZIYJKNQV-NRFANRHFSA-N 2 2 407.562 2.812 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082116298 559039262 /nfs/dbraw/zinc/03/92/62/559039262.db2.gz WSCWVAZIYJKNQV-NRFANRHFSA-N 2 2 407.562 2.812 50 0 HFAALP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 ZINC000082157669 559041528 /nfs/dbraw/zinc/04/15/28/559041528.db2.gz UEXHOTPVPVOPKC-OAQYLSRUSA-N 2 2 407.562 2.602 50 0 HFAALP O=C([C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 ZINC000082157669 559041529 /nfs/dbraw/zinc/04/15/29/559041529.db2.gz UEXHOTPVPVOPKC-OAQYLSRUSA-N 2 2 407.562 2.602 50 0 HFAALP C[NH+](C)C1(CN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC[NH+](C)CC1 ZINC000091305358 559070960 /nfs/dbraw/zinc/07/09/60/559070960.db2.gz IBAPTGSOTYAJBR-QFIPXVFZSA-N 2 2 401.551 2.613 50 0 HFAALP C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000004868412 560614307 /nfs/dbraw/zinc/61/43/07/560614307.db2.gz MHXYPBTYZSMNPK-UHFFFAOYSA-N 2 2 414.472 2.507 50 0 HFAALP C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1CC[NH+](C)CC1 ZINC000004868412 560614308 /nfs/dbraw/zinc/61/43/08/560614308.db2.gz MHXYPBTYZSMNPK-UHFFFAOYSA-N 2 2 414.472 2.507 50 0 HFAALP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000104176981 560849180 /nfs/dbraw/zinc/84/91/80/560849180.db2.gz SRVJADBFRDIZBM-SIKLNZKXSA-N 2 2 423.561 2.784 50 0 HFAALP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000104176981 560849181 /nfs/dbraw/zinc/84/91/81/560849181.db2.gz SRVJADBFRDIZBM-SIKLNZKXSA-N 2 2 423.561 2.784 50 0 HFAALP CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107135908 560895635 /nfs/dbraw/zinc/89/56/35/560895635.db2.gz ZNLVZJQOPNANHU-WOIUINJBSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000107135908 560895636 /nfs/dbraw/zinc/89/56/36/560895636.db2.gz ZNLVZJQOPNANHU-WOIUINJBSA-N 2 2 405.558 2.994 50 0 HFAALP Cc1cccn2cc(COc3ccccc3C(=O)NCC3CC[NH+](CCO)CC3)[nH+]c12 ZINC000084247934 568945028 /nfs/dbraw/zinc/94/50/28/568945028.db2.gz DENMNYRXOKQJNX-UHFFFAOYSA-N 2 2 422.529 2.656 50 0 HFAALP COc1ccccc1/C=C/CN1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000105271489 569009160 /nfs/dbraw/zinc/00/91/60/569009160.db2.gz ALAKGOKTMPRCPG-AVAOGFIGSA-N 2 2 401.595 2.950 50 0 HFAALP COc1ccccc1/C=C/CN1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000105271489 569009161 /nfs/dbraw/zinc/00/91/61/569009161.db2.gz ALAKGOKTMPRCPG-AVAOGFIGSA-N 2 2 401.595 2.950 50 0 HFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NCC[NH+]3CCCCCC3)C2)nc[nH+]1 ZINC000065245125 569204901 /nfs/dbraw/zinc/20/49/01/569204901.db2.gz FHHWIAZHLCPTOW-IBGZPJMESA-N 2 2 402.587 2.897 50 0 HFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)NCC[NH+]3CCCCCC3)C2)[nH+]cn1 ZINC000065245125 569204902 /nfs/dbraw/zinc/20/49/02/569204902.db2.gz FHHWIAZHLCPTOW-IBGZPJMESA-N 2 2 402.587 2.897 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000245326092 571225064 /nfs/dbraw/zinc/22/50/64/571225064.db2.gz DBTVTGAUTCUXIL-RTBURBONSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000245326092 571225066 /nfs/dbraw/zinc/22/50/66/571225066.db2.gz DBTVTGAUTCUXIL-RTBURBONSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000245326092 571225069 /nfs/dbraw/zinc/22/50/69/571225069.db2.gz DBTVTGAUTCUXIL-RTBURBONSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000245326092 571225071 /nfs/dbraw/zinc/22/50/71/571225071.db2.gz DBTVTGAUTCUXIL-RTBURBONSA-N 2 2 402.587 2.896 50 0 HFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccccc2OC)c1=[NH2+] ZINC000001235471 557250209 /nfs/dbraw/zinc/25/02/09/557250209.db2.gz QBTLXKVNYXGYLM-SFHVURJKSA-N 2 2 412.534 2.713 50 0 HFAALP C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000011661870 558265676 /nfs/dbraw/zinc/26/56/76/558265676.db2.gz ZTFAVPAVCBQPOL-GOSISDBHSA-N 2 2 424.574 2.906 50 0 HFAALP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000011661870 558265678 /nfs/dbraw/zinc/26/56/78/558265678.db2.gz ZTFAVPAVCBQPOL-GOSISDBHSA-N 2 2 424.574 2.906 50 0 HFAALP C[NH+]1CCCN(C(=O)c2nc3sccn3c2C[N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000011661870 558265680 /nfs/dbraw/zinc/26/56/80/558265680.db2.gz ZTFAVPAVCBQPOL-GOSISDBHSA-N 2 2 424.574 2.906 50 0 HFAALP C[NH+]1CCCN(C(=O)c2nc3sccn3c2C[N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000011661870 558265682 /nfs/dbraw/zinc/26/56/82/558265682.db2.gz ZTFAVPAVCBQPOL-GOSISDBHSA-N 2 2 424.574 2.906 50 0 HFAALP CCOC(=O)c1ccc2[nH+]cc(C(=O)OCC)c(NCCC[NH+]3CCOCC3)c2c1 ZINC000019792134 558283070 /nfs/dbraw/zinc/28/30/70/558283070.db2.gz BJJUFVHGCKETRY-UHFFFAOYSA-N 2 2 415.490 2.722 50 0 HFAALP COc1cccc(C[NH2+]Cc2cc(F)ccc2C)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000011956761 558303631 /nfs/dbraw/zinc/30/36/31/558303631.db2.gz ZMSJSZMHKWNDPC-NRFANRHFSA-N 2 2 418.509 2.504 50 0 HFAALP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](C/C=C/c3ccco3)CC2)CC1 ZINC000020205740 558346988 /nfs/dbraw/zinc/34/69/88/558346988.db2.gz GATWWPKZGWLXPQ-IAMMWUAXSA-N 2 2 401.551 2.764 50 0 HFAALP COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012447516 558414857 /nfs/dbraw/zinc/41/48/57/558414857.db2.gz VIRBOKCCHCJWGA-QFIPXVFZSA-N 2 2 424.545 2.922 50 0 HFAALP COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000012447516 558414861 /nfs/dbraw/zinc/41/48/61/558414861.db2.gz VIRBOKCCHCJWGA-QFIPXVFZSA-N 2 2 424.545 2.922 50 0 HFAALP COc1ccc(C[NH+](C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012447516 558414865 /nfs/dbraw/zinc/41/48/65/558414865.db2.gz VIRBOKCCHCJWGA-QFIPXVFZSA-N 2 2 424.545 2.922 50 0 HFAALP COc1ccc(C[NH+](C)Cc2cc[nH]n2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012447516 558414867 /nfs/dbraw/zinc/41/48/67/558414867.db2.gz VIRBOKCCHCJWGA-QFIPXVFZSA-N 2 2 424.545 2.922 50 0 HFAALP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[N@@H+](C)CC3)CC2)CC1 ZINC000015065379 558708327 /nfs/dbraw/zinc/70/83/27/558708327.db2.gz UKYSACDUMJVSMY-UHFFFAOYSA-N 3 2 412.622 2.836 50 0 HFAALP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[N@H+](C)CC3)CC2)CC1 ZINC000015065379 558708330 /nfs/dbraw/zinc/70/83/30/558708330.db2.gz UKYSACDUMJVSMY-UHFFFAOYSA-N 3 2 412.622 2.836 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]C3(c4ccccc4)CC3)c2)CC1 ZINC000019340308 558871477 /nfs/dbraw/zinc/87/14/77/558871477.db2.gz WDQCDQZOEDHFHI-HSZRJFAPSA-N 2 2 409.574 2.843 50 0 HFAALP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004670022 558880719 /nfs/dbraw/zinc/88/07/19/558880719.db2.gz SRVJADBFRDIZBM-KNQAVFIVSA-N 2 2 423.561 2.784 50 0 HFAALP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004670022 558880721 /nfs/dbraw/zinc/88/07/21/558880721.db2.gz SRVJADBFRDIZBM-KNQAVFIVSA-N 2 2 423.561 2.784 50 0 HFAALP COCC1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CCCC1 ZINC000082096712 559037328 /nfs/dbraw/zinc/03/73/28/559037328.db2.gz XBIKDXICJMCTDO-NRFANRHFSA-N 2 2 414.594 2.833 50 0 HFAALP COCC1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CCCC1 ZINC000082096712 559037329 /nfs/dbraw/zinc/03/73/29/559037329.db2.gz XBIKDXICJMCTDO-NRFANRHFSA-N 2 2 414.594 2.833 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106519 559038067 /nfs/dbraw/zinc/03/80/67/559038067.db2.gz PHVDRKLJVQOTOC-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106519 559038068 /nfs/dbraw/zinc/03/80/68/559038068.db2.gz PHVDRKLJVQOTOC-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107124 559038358 /nfs/dbraw/zinc/03/83/58/559038358.db2.gz GZDPZTFSEKRJPW-JOCHJYFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107124 559038359 /nfs/dbraw/zinc/03/83/59/559038359.db2.gz GZDPZTFSEKRJPW-JOCHJYFZSA-N 2 2 407.562 2.512 50 0 HFAALP COCC1(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCCC1 ZINC000082137360 559040513 /nfs/dbraw/zinc/04/05/13/559040513.db2.gz ZTHWPGHFSRRDKN-OAQYLSRUSA-N 2 2 414.594 2.833 50 0 HFAALP COCC1(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCCC1 ZINC000082137360 559040514 /nfs/dbraw/zinc/04/05/14/559040514.db2.gz ZTHWPGHFSRRDKN-OAQYLSRUSA-N 2 2 414.594 2.833 50 0 HFAALP O=C(NCCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082172091 559042170 /nfs/dbraw/zinc/04/21/70/559042170.db2.gz XFQMSULXLWMZSU-OAQYLSRUSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082172091 559042172 /nfs/dbraw/zinc/04/21/72/559042172.db2.gz XFQMSULXLWMZSU-OAQYLSRUSA-N 2 2 407.562 2.512 50 0 HFAALP CCOC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000091486723 559071834 /nfs/dbraw/zinc/07/18/34/559071834.db2.gz VTNRLYLKDHSRSE-NRFANRHFSA-N 2 2 414.594 2.786 50 0 HFAALP CCOC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000091486723 559071835 /nfs/dbraw/zinc/07/18/35/559071835.db2.gz VTNRLYLKDHSRSE-NRFANRHFSA-N 2 2 414.594 2.786 50 0 HFAALP COc1ccc(C[N@H+](C)Cc2c(C)noc2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095509238 559083644 /nfs/dbraw/zinc/08/36/44/559083644.db2.gz WDSVIAFTVSIUAM-LJQANCHMSA-N 2 2 403.523 2.768 50 0 HFAALP COc1ccc(C[N@@H+](C)Cc2c(C)noc2C)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095509238 559083646 /nfs/dbraw/zinc/08/36/46/559083646.db2.gz WDSVIAFTVSIUAM-LJQANCHMSA-N 2 2 403.523 2.768 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000106922615 560894498 /nfs/dbraw/zinc/89/44/98/560894498.db2.gz SKCKJVPXLZNXFF-YDKDNVBTSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000106922615 560894499 /nfs/dbraw/zinc/89/44/99/560894499.db2.gz SKCKJVPXLZNXFF-YDKDNVBTSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000106922615 560894500 /nfs/dbraw/zinc/89/45/00/560894500.db2.gz SKCKJVPXLZNXFF-YDKDNVBTSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000106922615 560894501 /nfs/dbraw/zinc/89/45/01/560894501.db2.gz SKCKJVPXLZNXFF-YDKDNVBTSA-N 2 2 416.610 2.833 50 0 HFAALP Cn1c(C[NH+]2CCCCCC2)cc(=O)c(O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000095479578 568632557 /nfs/dbraw/zinc/63/25/57/568632557.db2.gz BJRQDLFIDIBIOD-UHFFFAOYSA-N 2 2 410.562 2.789 50 0 HFAALP O[C@@H](COc1cccc(C[NH2+]CC[NH+]2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000020779379 568643763 /nfs/dbraw/zinc/64/37/63/568643763.db2.gz IGAKWZHHHRCZGA-XMMPIXPASA-N 3 2 409.574 2.670 50 0 HFAALP O[C@@H](COc1cccc(C[NH2+]CC[NH+]2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020779379 568643767 /nfs/dbraw/zinc/64/37/67/568643767.db2.gz IGAKWZHHHRCZGA-XMMPIXPASA-N 3 2 409.574 2.670 50 0 HFAALP Cc1nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000036340164 569141510 /nfs/dbraw/zinc/14/15/10/569141510.db2.gz LSKJEFYTMHLPQA-NRFANRHFSA-N 2 2 416.541 2.731 50 0 HFAALP Cc1nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000036340363 569141662 /nfs/dbraw/zinc/14/16/62/569141662.db2.gz ZKFGEAXPYIOIPC-HXUWFJFHSA-N 2 2 416.541 2.731 50 0 HFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](CC(C)C)CC3)C2)nc[nH+]1 ZINC000065245077 569204925 /nfs/dbraw/zinc/20/49/25/569204925.db2.gz IJODZFLEPYUGJY-IBGZPJMESA-N 2 2 402.587 2.705 50 0 HFAALP CCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](CC(C)C)CC3)C2)[nH+]cn1 ZINC000065245077 569204926 /nfs/dbraw/zinc/20/49/26/569204926.db2.gz IJODZFLEPYUGJY-IBGZPJMESA-N 2 2 402.587 2.705 50 0 HFAALP O[C@H](C[NH2+]CCC[NH+]1CCOCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000007238784 569230210 /nfs/dbraw/zinc/23/02/10/569230210.db2.gz ZJBYDOIHURZWJV-JOCHJYFZSA-N 2 2 420.500 2.744 50 0 HFAALP CCn1cc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000078877765 569421284 /nfs/dbraw/zinc/42/12/84/569421284.db2.gz KHBFJEGXSHTSBM-UHFFFAOYSA-N 2 2 411.388 2.951 50 0 HFAALP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000078985313 569422921 /nfs/dbraw/zinc/42/29/21/569422921.db2.gz JZPRYJKRGXQIGK-NRFANRHFSA-N 2 2 416.953 2.997 50 0 HFAALP Cc1cc(CNC(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)on1 ZINC000019792286 558283115 /nfs/dbraw/zinc/28/31/15/558283115.db2.gz UFKMAFPJCYVGIZ-UHFFFAOYSA-N 2 2 412.534 2.850 50 0 HFAALP CC[NH+]1CCN(C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000011937012 558300923 /nfs/dbraw/zinc/30/09/23/558300923.db2.gz LBIYYCNYQVNJRK-UHFFFAOYSA-N 2 2 408.546 2.903 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000020351652 558356680 /nfs/dbraw/zinc/35/66/80/558356680.db2.gz XUQGBLOZXXSHBD-NRFANRHFSA-N 2 2 401.551 2.597 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(C)o3)c2)CC1 ZINC000020351652 558356681 /nfs/dbraw/zinc/35/66/81/558356681.db2.gz XUQGBLOZXXSHBD-NRFANRHFSA-N 2 2 401.551 2.597 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(OC)c1 ZINC000012432253 558406675 /nfs/dbraw/zinc/40/66/75/558406675.db2.gz ZGQQETLZBJLLTI-QGZVFWFLSA-N 2 2 400.523 2.638 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c(OC)c1 ZINC000012432253 558406676 /nfs/dbraw/zinc/40/66/76/558406676.db2.gz ZGQQETLZBJLLTI-QGZVFWFLSA-N 2 2 400.523 2.638 50 0 HFAALP CC(C)CCCN1CC[C@H]([NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC1=O ZINC000023153635 558539415 /nfs/dbraw/zinc/53/94/15/558539415.db2.gz YTOKBLMCYDZWMU-HXUWFJFHSA-N 2 2 406.615 2.610 50 0 HFAALP COc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000023731833 558571615 /nfs/dbraw/zinc/57/16/15/558571615.db2.gz RVGYZZXISAEGIX-OAQYLSRUSA-N 2 2 422.573 2.550 50 0 HFAALP CCn1c2ccccc2nc1CN1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039532535 558822215 /nfs/dbraw/zinc/82/22/15/558822215.db2.gz CGNZKUQHLWLBBW-OAQYLSRUSA-N 2 2 413.610 2.798 50 0 HFAALP CCn1c2ccccc2nc1CN1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039532535 558822218 /nfs/dbraw/zinc/82/22/18/558822218.db2.gz CGNZKUQHLWLBBW-OAQYLSRUSA-N 2 2 413.610 2.798 50 0 HFAALP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@H+](C)Cc3cccc(Cl)c3)cc2)CC1 ZINC000019222756 558852191 /nfs/dbraw/zinc/85/21/91/558852191.db2.gz LLZFSLKGSYJBTQ-JOCHJYFZSA-N 2 2 417.981 2.959 50 0 HFAALP CN1CC[NH+](C[C@@H](O)COc2ccc(C[N@@H+](C)Cc3cccc(Cl)c3)cc2)CC1 ZINC000019222756 558852193 /nfs/dbraw/zinc/85/21/93/558852193.db2.gz LLZFSLKGSYJBTQ-JOCHJYFZSA-N 2 2 417.981 2.959 50 0 HFAALP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000058367640 558922418 /nfs/dbraw/zinc/92/24/18/558922418.db2.gz AUVCCQFGUDFLMY-KRWDZBQOSA-N 2 2 407.518 2.789 50 0 HFAALP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000058367640 558922420 /nfs/dbraw/zinc/92/24/20/558922420.db2.gz AUVCCQFGUDFLMY-KRWDZBQOSA-N 2 2 407.518 2.789 50 0 HFAALP Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082096934 559037590 /nfs/dbraw/zinc/03/75/90/559037590.db2.gz FOAJMLAMRFDNES-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)n1 ZINC000082096934 559037591 /nfs/dbraw/zinc/03/75/91/559037591.db2.gz FOAJMLAMRFDNES-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP O=C(NCc1ccc(O)cc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108060 559038615 /nfs/dbraw/zinc/03/86/15/559038615.db2.gz LXFBMVCUJXLONU-NRFANRHFSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCc1ccc(O)cc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108060 559038616 /nfs/dbraw/zinc/03/86/16/559038616.db2.gz LXFBMVCUJXLONU-NRFANRHFSA-N 2 2 408.546 2.780 50 0 HFAALP COc1cccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)c1 ZINC000082230672 559042955 /nfs/dbraw/zinc/04/29/55/559042955.db2.gz RXMYEYHDZIGGTA-UHFFFAOYSA-N 2 2 406.490 2.559 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091663832 559072781 /nfs/dbraw/zinc/07/27/81/559072781.db2.gz QNEVVBBZHWFYQX-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091663832 559072784 /nfs/dbraw/zinc/07/27/84/559072784.db2.gz QNEVVBBZHWFYQX-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP COc1ccc(C[N@H+](C)Cc2c(C)noc2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095509239 559083636 /nfs/dbraw/zinc/08/36/36/559083636.db2.gz WDSVIAFTVSIUAM-IBGZPJMESA-N 2 2 403.523 2.768 50 0 HFAALP COc1ccc(C[N@@H+](C)Cc2c(C)noc2C)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095509239 559083638 /nfs/dbraw/zinc/08/36/38/559083638.db2.gz WDSVIAFTVSIUAM-IBGZPJMESA-N 2 2 403.523 2.768 50 0 HFAALP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023763695 559181001 /nfs/dbraw/zinc/18/10/01/559181001.db2.gz FBBKKTWIMPPCNH-SFHVURJKSA-N 2 2 413.543 2.958 50 0 HFAALP O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023763695 559181002 /nfs/dbraw/zinc/18/10/02/559181002.db2.gz FBBKKTWIMPPCNH-SFHVURJKSA-N 2 2 413.543 2.958 50 0 HFAALP Cc1ccc(F)c(C[N@@H+]2CCc3nc(N4CCCC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000096281813 560848540 /nfs/dbraw/zinc/84/85/40/560848540.db2.gz MEOWZHKNHYXYJT-UHFFFAOYSA-N 2 2 424.568 2.834 50 0 HFAALP Cc1ccc(F)c(C[N@H+]2CCc3nc(N4CCCC4)nc(N4CC[NH+](C)CC4)c3C2)c1 ZINC000096281813 560848542 /nfs/dbraw/zinc/84/85/42/560848542.db2.gz MEOWZHKNHYXYJT-UHFFFAOYSA-N 2 2 424.568 2.834 50 0 HFAALP C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3OC3CCCC3)C[C@H]2CCO)CC1 ZINC000104347960 569008409 /nfs/dbraw/zinc/00/84/09/569008409.db2.gz RCJLLVXMVQAGBF-JOCHJYFZSA-N 2 2 401.595 2.971 50 0 HFAALP C[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3OC3CCCC3)C[C@H]2CCO)CC1 ZINC000104347960 569008410 /nfs/dbraw/zinc/00/84/10/569008410.db2.gz RCJLLVXMVQAGBF-JOCHJYFZSA-N 2 2 401.595 2.971 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000065242443 569204699 /nfs/dbraw/zinc/20/46/99/569204699.db2.gz DBTVTGAUTCUXIL-OALUTQOASA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000065242443 569204701 /nfs/dbraw/zinc/20/47/01/569204701.db2.gz DBTVTGAUTCUXIL-OALUTQOASA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000065242443 569204702 /nfs/dbraw/zinc/20/47/02/569204702.db2.gz DBTVTGAUTCUXIL-OALUTQOASA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000065242443 569204703 /nfs/dbraw/zinc/20/47/03/569204703.db2.gz DBTVTGAUTCUXIL-OALUTQOASA-N 2 2 402.587 2.896 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NCC)[nH+]cn3)C2)CC1 ZINC000065245073 569204918 /nfs/dbraw/zinc/20/49/18/569204918.db2.gz IMXXDIDCBXPRNX-LJQANCHMSA-N 2 2 402.587 2.849 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NCC)nc[nH+]3)C2)CC1 ZINC000065245073 569204920 /nfs/dbraw/zinc/20/49/20/569204920.db2.gz IMXXDIDCBXPRNX-LJQANCHMSA-N 2 2 402.587 2.849 50 0 HFAALP COc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000012588250 132364706 /nfs/dbraw/zinc/36/47/06/132364706.db2.gz YURUCGSYBWWHCG-NRFANRHFSA-N 2 2 422.573 2.723 50 0 HFAALP CC[NH+]1CCN(C(=O)C2CC[NH+](C3CC[NH+](Cc4ccccc4C)CC3)CC2)CC1 ZINC000012593879 558436873 /nfs/dbraw/zinc/43/68/73/558436873.db2.gz BQAWTZREXHKIAL-UHFFFAOYSA-N 3 2 412.622 2.836 50 0 HFAALP CC(C)NC(=O)C1CC[NH+](C2CC[NH+](Cc3cnc(N4CCCC4)s3)CC2)CC1 ZINC000012597300 558438241 /nfs/dbraw/zinc/43/82/41/558438241.db2.gz BUMGVJQPZHKMQF-UHFFFAOYSA-N 2 2 419.639 2.944 50 0 HFAALP C[C@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023139895 558537702 /nfs/dbraw/zinc/53/77/02/558537702.db2.gz HCCXSLHLQRNUNZ-FQEVSTJZSA-N 2 2 403.530 2.867 50 0 HFAALP COc1ccc(OCC[N@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023717712 558570176 /nfs/dbraw/zinc/57/01/76/558570176.db2.gz VKBUSOHLAWOUEA-HXUWFJFHSA-N 2 2 411.546 2.739 50 0 HFAALP COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023717712 558570178 /nfs/dbraw/zinc/57/01/78/558570178.db2.gz VKBUSOHLAWOUEA-HXUWFJFHSA-N 2 2 411.546 2.739 50 0 HFAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)CC1)N1CCCC1 ZINC000014949918 558680763 /nfs/dbraw/zinc/68/07/63/558680763.db2.gz UUUILGXEHYNLSE-UHFFFAOYSA-N 2 2 413.562 2.757 50 0 HFAALP COc1cc(C[NH2+]CCCC2CCCC2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015074414 558714966 /nfs/dbraw/zinc/71/49/66/558714966.db2.gz MZIBCCLAUASFSY-OAQYLSRUSA-N 2 2 406.567 2.827 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000072308992 558772056 /nfs/dbraw/zinc/77/20/56/558772056.db2.gz SKCKJVPXLZNXFF-LKOFEHJNSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000072308992 558772059 /nfs/dbraw/zinc/77/20/59/558772059.db2.gz SKCKJVPXLZNXFF-LKOFEHJNSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000072308992 558772060 /nfs/dbraw/zinc/77/20/60/558772060.db2.gz SKCKJVPXLZNXFF-LKOFEHJNSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072308992 558772063 /nfs/dbraw/zinc/77/20/63/558772063.db2.gz SKCKJVPXLZNXFF-LKOFEHJNSA-N 2 2 416.610 2.833 50 0 HFAALP Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(C(=O)CCC3CCCCC3)CC2)[nH+]1 ZINC000072437325 558980777 /nfs/dbraw/zinc/98/07/77/558980777.db2.gz JUPJJRGTGFZIOQ-UHFFFAOYSA-N 2 2 414.598 2.546 50 0 HFAALP COC[C@@H]1CCN(C(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000067921634 558994749 /nfs/dbraw/zinc/99/47/49/558994749.db2.gz SPZYGYFPHYQIGR-LJQANCHMSA-N 2 2 415.578 2.733 50 0 HFAALP COc1ccccc1N1CCN(c2ncccc2C[NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000067954369 558994947 /nfs/dbraw/zinc/99/49/47/558994947.db2.gz BPPKJCWZFARRBM-LJQANCHMSA-N 2 2 406.534 2.792 50 0 HFAALP O=C([C@H]1CCC[N@@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1)N1CCOCC1 ZINC000082109564 559038873 /nfs/dbraw/zinc/03/88/73/559038873.db2.gz PRBKFJXZIPTIEF-FQEVSTJZSA-N 2 2 408.546 2.774 50 0 HFAALP O=C([C@H]1CCC[N@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1)N1CCOCC1 ZINC000082109564 559038874 /nfs/dbraw/zinc/03/88/74/559038874.db2.gz PRBKFJXZIPTIEF-FQEVSTJZSA-N 2 2 408.546 2.774 50 0 HFAALP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023763691 559180959 /nfs/dbraw/zinc/18/09/59/559180959.db2.gz FBBKKTWIMPPCNH-GOSISDBHSA-N 2 2 413.543 2.958 50 0 HFAALP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023763691 559180960 /nfs/dbraw/zinc/18/09/60/559180960.db2.gz FBBKKTWIMPPCNH-GOSISDBHSA-N 2 2 413.543 2.958 50 0 HFAALP COc1ccc(OC[C@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=[NH2+])cc1 ZINC000001240913 568907618 /nfs/dbraw/zinc/90/76/18/568907618.db2.gz DGODGIALPBBEFJ-LJQANCHMSA-N 2 2 424.545 2.857 50 0 HFAALP CCCCOC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340448 569141690 /nfs/dbraw/zinc/14/16/90/569141690.db2.gz HBKHCYAPFAYTGQ-JOCHJYFZSA-N 2 2 412.578 2.984 50 0 HFAALP O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000036383864 569158850 /nfs/dbraw/zinc/15/88/50/569158850.db2.gz NYOCZMDUFWDFSW-UHFFFAOYSA-N 2 2 414.594 2.819 50 0 HFAALP CCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](CC(C)C)CC3)C2)nc[nH+]1 ZINC000065245076 569204947 /nfs/dbraw/zinc/20/49/47/569204947.db2.gz IJODZFLEPYUGJY-LJQANCHMSA-N 2 2 402.587 2.705 50 0 HFAALP CCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](CC(C)C)CC3)C2)[nH+]cn1 ZINC000065245076 569204948 /nfs/dbraw/zinc/20/49/48/569204948.db2.gz IJODZFLEPYUGJY-LJQANCHMSA-N 2 2 402.587 2.705 50 0 HFAALP COc1ccc(/C=C/C(=O)NCCNc2cc(-n3cc[nH+]c3C)nc(C)[nH+]2)cc1OC ZINC000036705801 569221939 /nfs/dbraw/zinc/22/19/39/569221939.db2.gz UCUYGJMHQYRBTM-SOFGYWHQSA-N 2 2 422.489 2.538 50 0 HFAALP CCCC[C@H]1C[N@H+](CC(=O)NC[C@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000244758090 571206980 /nfs/dbraw/zinc/20/69/80/571206980.db2.gz OSFLDXAZVINGPV-CTNGQTDRSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@H]1C[N@@H+](CC(=O)NC[C@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000244758090 571206983 /nfs/dbraw/zinc/20/69/83/571206983.db2.gz OSFLDXAZVINGPV-CTNGQTDRSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@H]1C[NH+](CC(=O)NC[C@H]2CC[N@H+](CCOC)C2)Cc2ccccc2O1 ZINC000244758090 571206985 /nfs/dbraw/zinc/20/69/85/571206985.db2.gz OSFLDXAZVINGPV-CTNGQTDRSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@H]1C[NH+](CC(=O)NC[C@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000244758090 571206989 /nfs/dbraw/zinc/20/69/89/571206989.db2.gz OSFLDXAZVINGPV-CTNGQTDRSA-N 2 2 403.567 2.524 50 0 HFAALP CCn1c(C)c(C[NH+]2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)c2ccccc21 ZINC000035527077 571316947 /nfs/dbraw/zinc/31/69/47/571316947.db2.gz MMEPSZAFBBUSML-UHFFFAOYSA-N 2 2 412.578 2.630 50 0 HFAALP CCOc1ccc(N2C(=O)C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000004996558 557622663 /nfs/dbraw/zinc/62/26/63/557622663.db2.gz MXDUXOYMQRHQOL-JOCHJYFZSA-N 2 2 407.514 2.971 50 0 HFAALP O=C(CC[C@H]1CCC[N@H+](CCCn2cccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019938834 558313253 /nfs/dbraw/zinc/31/32/53/558313253.db2.gz JVUSMBKSBBKMGP-OAQYLSRUSA-N 2 2 410.566 2.509 50 0 HFAALP O=C(CC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019938834 558313254 /nfs/dbraw/zinc/31/32/54/558313254.db2.gz JVUSMBKSBBKMGP-OAQYLSRUSA-N 2 2 410.566 2.509 50 0 HFAALP Cc1nonc1C[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012458952 558418459 /nfs/dbraw/zinc/41/84/59/558418459.db2.gz AWVTXLOXKHJSJW-OAQYLSRUSA-N 2 2 410.518 2.882 50 0 HFAALP Cc1nonc1C[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012458952 558418461 /nfs/dbraw/zinc/41/84/61/558418461.db2.gz AWVTXLOXKHJSJW-OAQYLSRUSA-N 2 2 410.518 2.882 50 0 HFAALP Cc1nonc1C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000012458952 558418464 /nfs/dbraw/zinc/41/84/64/558418464.db2.gz AWVTXLOXKHJSJW-OAQYLSRUSA-N 2 2 410.518 2.882 50 0 HFAALP Cc1nonc1C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000012458952 558418466 /nfs/dbraw/zinc/41/84/66/558418466.db2.gz AWVTXLOXKHJSJW-OAQYLSRUSA-N 2 2 410.518 2.882 50 0 HFAALP COc1ccccc1N1CC[NH+]([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021822048 558451194 /nfs/dbraw/zinc/45/11/94/558451194.db2.gz BIQZMJOUJYUZCH-OAQYLSRUSA-N 2 2 422.573 2.550 50 0 HFAALP CCc1ccc([C@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)[NH+](C)C)cc1 ZINC000022798731 558512400 /nfs/dbraw/zinc/51/24/00/558512400.db2.gz BXKLJFVCDJZMLG-IRLDBZIGSA-N 2 2 418.607 2.814 50 0 HFAALP CC(C)[C@H]([NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCCCO2 ZINC000014124055 558622673 /nfs/dbraw/zinc/62/26/73/558622673.db2.gz PULZWGVOHFKJBB-DEOSSOPVSA-N 2 2 424.545 2.878 50 0 HFAALP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000072303447 558755972 /nfs/dbraw/zinc/75/59/72/558755972.db2.gz LZPWYEUHEGYCBT-QGZVFWFLSA-N 2 2 408.481 2.864 50 0 HFAALP Cc1csc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082091185 559036893 /nfs/dbraw/zinc/03/68/93/559036893.db2.gz TZKGDAFHUHWEIM-IBGZPJMESA-N 2 2 413.591 2.839 50 0 HFAALP Cc1csc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082091185 559036895 /nfs/dbraw/zinc/03/68/95/559036895.db2.gz TZKGDAFHUHWEIM-IBGZPJMESA-N 2 2 413.591 2.839 50 0 HFAALP Cc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)cs1 ZINC000082120999 559039510 /nfs/dbraw/zinc/03/95/10/559039510.db2.gz NKCHCIGXTGOBHU-IBGZPJMESA-N 2 2 413.591 2.839 50 0 HFAALP Cc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)cs1 ZINC000082120999 559039512 /nfs/dbraw/zinc/03/95/12/559039512.db2.gz NKCHCIGXTGOBHU-IBGZPJMESA-N 2 2 413.591 2.839 50 0 HFAALP Cc1ccc(CCC2CC[NH+](CC(=O)NCC(C)(C)[NH+]3CCOCC3)CC2)cc1 ZINC000012332461 568473010 /nfs/dbraw/zinc/47/30/10/568473010.db2.gz MGULSSASUWNSEV-UHFFFAOYSA-N 2 2 401.595 2.867 50 0 HFAALP Cc1nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000036340362 569141606 /nfs/dbraw/zinc/14/16/06/569141606.db2.gz ZKFGEAXPYIOIPC-FQEVSTJZSA-N 2 2 416.541 2.731 50 0 HFAALP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607324 569244513 /nfs/dbraw/zinc/24/45/13/569244513.db2.gz DXRXGRWYXJHXMC-URXFXBBRSA-N 2 2 422.573 2.698 50 0 HFAALP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607324 569244514 /nfs/dbraw/zinc/24/45/14/569244514.db2.gz DXRXGRWYXJHXMC-URXFXBBRSA-N 2 2 422.573 2.698 50 0 HFAALP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607325 569244577 /nfs/dbraw/zinc/24/45/77/569244577.db2.gz DXRXGRWYXJHXMC-XUZZJYLKSA-N 2 2 422.573 2.698 50 0 HFAALP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000170607325 569244578 /nfs/dbraw/zinc/24/45/78/569244578.db2.gz DXRXGRWYXJHXMC-XUZZJYLKSA-N 2 2 422.573 2.698 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000170690739 569298510 /nfs/dbraw/zinc/29/85/10/569298510.db2.gz LWLUWIFGSNECBT-RTWAWAEBSA-N 2 2 409.596 2.653 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000170690739 569298511 /nfs/dbraw/zinc/29/85/11/569298511.db2.gz LWLUWIFGSNECBT-RTWAWAEBSA-N 2 2 409.596 2.653 50 0 HFAALP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)c1cccnc1 ZINC000078985318 569422829 /nfs/dbraw/zinc/42/28/29/569422829.db2.gz JZPRYJKRGXQIGK-OAQYLSRUSA-N 2 2 416.953 2.997 50 0 HFAALP C[N@H+](CC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1N1CCCCC1 ZINC000010056258 132345093 /nfs/dbraw/zinc/34/50/93/132345093.db2.gz MLCQZPUXIACEAE-UHFFFAOYSA-N 2 2 407.562 2.853 50 0 HFAALP C[N@@H+](CC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1N1CCCCC1 ZINC000010056258 132345095 /nfs/dbraw/zinc/34/50/95/132345095.db2.gz MLCQZPUXIACEAE-UHFFFAOYSA-N 2 2 407.562 2.853 50 0 HFAALP CCc1[nH+]c(C)ccc1OCC(=O)N(CC)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011874714 558292175 /nfs/dbraw/zinc/29/21/75/558292175.db2.gz SOPGOWMILRSHTA-UHFFFAOYSA-N 3 2 416.610 2.986 50 0 HFAALP CCn1ccnc1C[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](CC)CC)c1 ZINC000011936232 558300275 /nfs/dbraw/zinc/30/02/75/558300275.db2.gz HCEWMVBROFAAJX-IBGZPJMESA-N 2 2 404.555 2.625 50 0 HFAALP CCn1ccnc1C[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](CC)CC)c1 ZINC000011936232 558300278 /nfs/dbraw/zinc/30/02/78/558300278.db2.gz HCEWMVBROFAAJX-IBGZPJMESA-N 2 2 404.555 2.625 50 0 HFAALP CCn1cc[nH+]c1CN(C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](CC)CC)c1 ZINC000011936232 558300279 /nfs/dbraw/zinc/30/02/79/558300279.db2.gz HCEWMVBROFAAJX-IBGZPJMESA-N 2 2 404.555 2.625 50 0 HFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCSCC4)CC3)CC2)n1 ZINC000011938167 558301519 /nfs/dbraw/zinc/30/15/19/558301519.db2.gz AOLJFGGGAQYMFS-UHFFFAOYSA-N 2 2 402.608 2.642 50 0 HFAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCC(=O)Nc1ccccc1 ZINC000020513036 558382226 /nfs/dbraw/zinc/38/22/26/558382226.db2.gz JPDGRCPWXMSXPY-UHFFFAOYSA-N 2 2 413.518 2.525 50 0 HFAALP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3c[nH+]c[nH]3)CC2)CC1 ZINC000012433794 558407602 /nfs/dbraw/zinc/40/76/02/558407602.db2.gz XAVPOTDCAIDKNN-UHFFFAOYSA-N 3 2 409.578 2.753 50 0 HFAALP Cc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3c[nH]c[nH+]3)CC2)CC1 ZINC000012433794 558407604 /nfs/dbraw/zinc/40/76/04/558407604.db2.gz XAVPOTDCAIDKNN-UHFFFAOYSA-N 3 2 409.578 2.753 50 0 HFAALP COc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000021822047 558451131 /nfs/dbraw/zinc/45/11/31/558451131.db2.gz BIQZMJOUJYUZCH-NRFANRHFSA-N 2 2 422.573 2.550 50 0 HFAALP COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023717709 558570114 /nfs/dbraw/zinc/57/01/14/558570114.db2.gz VKBUSOHLAWOUEA-FQEVSTJZSA-N 2 2 411.546 2.739 50 0 HFAALP COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000023717709 558570117 /nfs/dbraw/zinc/57/01/17/558570117.db2.gz VKBUSOHLAWOUEA-FQEVSTJZSA-N 2 2 411.546 2.739 50 0 HFAALP O=C(C[NH+]1CCN(c2[nH+]ccn2-c2ccccc2F)CC1)N1CCc2ccccc21 ZINC000011027481 558691612 /nfs/dbraw/zinc/69/16/12/558691612.db2.gz JHNIRUZNOXCZNW-UHFFFAOYSA-N 2 2 405.477 2.723 50 0 HFAALP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055166119 558874713 /nfs/dbraw/zinc/87/47/13/558874713.db2.gz HVVXTCGNFKNMKC-IBGZPJMESA-N 2 2 421.467 2.715 50 0 HFAALP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055166116 558874760 /nfs/dbraw/zinc/87/47/60/558874760.db2.gz HVVXTCGNFKNMKC-LJQANCHMSA-N 2 2 421.467 2.715 50 0 HFAALP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1OCc1c(C)noc1C ZINC000058004428 558894198 /nfs/dbraw/zinc/89/41/98/558894198.db2.gz PULUKXKZRUCCBH-IBGZPJMESA-N 2 2 403.523 2.815 50 0 HFAALP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000058367641 558922391 /nfs/dbraw/zinc/92/23/91/558922391.db2.gz AUVCCQFGUDFLMY-QGZVFWFLSA-N 2 2 407.518 2.789 50 0 HFAALP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000058367641 558922394 /nfs/dbraw/zinc/92/23/94/558922394.db2.gz AUVCCQFGUDFLMY-QGZVFWFLSA-N 2 2 407.518 2.789 50 0 HFAALP Cc1nc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000082120652 559039392 /nfs/dbraw/zinc/03/93/92/559039392.db2.gz LKKGPAIQGWZPMV-NRFANRHFSA-N 2 2 407.562 2.825 50 0 HFAALP Cc1nc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000082120652 559039394 /nfs/dbraw/zinc/03/93/94/559039394.db2.gz LKKGPAIQGWZPMV-NRFANRHFSA-N 2 2 407.562 2.825 50 0 HFAALP O=C([C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 ZINC000082157666 559041559 /nfs/dbraw/zinc/04/15/59/559041559.db2.gz UEXHOTPVPVOPKC-NRFANRHFSA-N 2 2 407.562 2.602 50 0 HFAALP O=C([C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)N1CCn2cccc2C1 ZINC000082157666 559041561 /nfs/dbraw/zinc/04/15/61/559041561.db2.gz UEXHOTPVPVOPKC-NRFANRHFSA-N 2 2 407.562 2.602 50 0 HFAALP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091988493 559074978 /nfs/dbraw/zinc/07/49/78/559074978.db2.gz HHUIWJPZJWBAJZ-INIZCTEOSA-N 2 2 408.506 2.548 50 0 HFAALP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091988493 559074980 /nfs/dbraw/zinc/07/49/80/559074980.db2.gz HHUIWJPZJWBAJZ-INIZCTEOSA-N 2 2 408.506 2.548 50 0 HFAALP CC(C)(C)OC(=O)N1CC[NH+](C(C)(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000095962871 568670472 /nfs/dbraw/zinc/67/04/72/568670472.db2.gz QHMLQIRGIYNLQB-UHFFFAOYSA-N 2 2 410.603 2.697 50 0 HFAALP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000230080390 568833966 /nfs/dbraw/zinc/83/39/66/568833966.db2.gz SRVJADBFRDIZBM-DENIHFKCSA-N 2 2 423.561 2.784 50 0 HFAALP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000230080390 568833967 /nfs/dbraw/zinc/83/39/67/568833967.db2.gz SRVJADBFRDIZBM-DENIHFKCSA-N 2 2 423.561 2.784 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000065274286 569215122 /nfs/dbraw/zinc/21/51/22/569215122.db2.gz RSCKBBWDWRKYQV-UHFFFAOYSA-N 2 2 414.598 2.992 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)CC1 ZINC000065274286 569215123 /nfs/dbraw/zinc/21/51/23/569215123.db2.gz RSCKBBWDWRKYQV-UHFFFAOYSA-N 2 2 414.598 2.992 50 0 HFAALP COc1cccc(N2CC[NH+](Cc3c(O)c(C[NH+]4CCCCC4)coc3=O)CC2)c1 ZINC000252479814 569387541 /nfs/dbraw/zinc/38/75/41/569387541.db2.gz BNDFXDWQVAIBNT-UHFFFAOYSA-N 2 2 413.518 2.662 50 0 HFAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012553682 132363270 /nfs/dbraw/zinc/36/32/70/132363270.db2.gz OZAJZHFXGDQTLI-HXUWFJFHSA-N 2 2 410.537 2.681 50 0 HFAALP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020100544 558331705 /nfs/dbraw/zinc/33/17/05/558331705.db2.gz OFWOBBJKWNKJDO-UHFFFAOYSA-N 2 2 421.541 2.972 50 0 HFAALP O[C@]1(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000072420944 558978290 /nfs/dbraw/zinc/97/82/90/558978290.db2.gz BCNVOTPVYCSVGT-HSZRJFAPSA-N 2 2 401.501 2.786 50 0 HFAALP O[C@]1(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000072420944 558978293 /nfs/dbraw/zinc/97/82/93/558978293.db2.gz BCNVOTPVYCSVGT-HSZRJFAPSA-N 2 2 401.501 2.786 50 0 HFAALP OCC[C@H]1CN(C2CC[NH+](Cc3ccco3)CC2)CC[N@@H+]1Cc1ccccc1F ZINC000077397514 559003846 /nfs/dbraw/zinc/00/38/46/559003846.db2.gz UGSQTLAHKRLBSK-NRFANRHFSA-N 2 2 401.526 2.952 50 0 HFAALP OCC[C@H]1CN(C2CC[NH+](Cc3ccco3)CC2)CC[N@H+]1Cc1ccccc1F ZINC000077397514 559003847 /nfs/dbraw/zinc/00/38/47/559003847.db2.gz UGSQTLAHKRLBSK-NRFANRHFSA-N 2 2 401.526 2.952 50 0 HFAALP Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cs1 ZINC000082108032 559038658 /nfs/dbraw/zinc/03/86/58/559038658.db2.gz XSRBMNHRWACLKC-LJQANCHMSA-N 2 2 413.591 2.839 50 0 HFAALP Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cs1 ZINC000082108032 559038659 /nfs/dbraw/zinc/03/86/59/559038659.db2.gz XSRBMNHRWACLKC-LJQANCHMSA-N 2 2 413.591 2.839 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082160492 559041760 /nfs/dbraw/zinc/04/17/60/559041760.db2.gz VIHMGDQCEAFESK-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082160492 559041761 /nfs/dbraw/zinc/04/17/61/559041761.db2.gz VIHMGDQCEAFESK-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000221818604 568511190 /nfs/dbraw/zinc/51/11/90/568511190.db2.gz SKCKJVPXLZNXFF-KZWFYYSKSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000221818604 568511191 /nfs/dbraw/zinc/51/11/91/568511191.db2.gz SKCKJVPXLZNXFF-KZWFYYSKSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000221818604 568511193 /nfs/dbraw/zinc/51/11/93/568511193.db2.gz SKCKJVPXLZNXFF-KZWFYYSKSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000221818604 568511194 /nfs/dbraw/zinc/51/11/94/568511194.db2.gz SKCKJVPXLZNXFF-KZWFYYSKSA-N 2 2 416.610 2.833 50 0 HFAALP Cn1cc[nH+]c1CC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095381584 568603543 /nfs/dbraw/zinc/60/35/43/568603543.db2.gz MYZOTCZRMRGXIZ-UHFFFAOYSA-N 2 2 405.428 2.869 50 0 HFAALP Cc1cc(C)n(CC[N@@H+]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)n1 ZINC000077100055 571311212 /nfs/dbraw/zinc/31/12/12/571311212.db2.gz GGVXYAUQRDJDSY-UHFFFAOYSA-N 2 2 406.534 2.593 50 0 HFAALP Cc1cc(C)n(CC[N@H+]2CCCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)n1 ZINC000077100055 571311213 /nfs/dbraw/zinc/31/12/13/571311213.db2.gz GGVXYAUQRDJDSY-UHFFFAOYSA-N 2 2 406.534 2.593 50 0 HFAALP Cc1nn(C)cc1C[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000020540326 527692509 /nfs/dbraw/zinc/69/25/09/527692509.db2.gz KCKWWXOULVMCTJ-UHFFFAOYSA-N 2 2 423.605 2.764 50 0 HFAALP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)CC1 ZINC000034668484 557362120 /nfs/dbraw/zinc/36/21/20/557362120.db2.gz KCTRKTGNJQVNLH-UHFFFAOYSA-N 2 2 422.573 2.795 50 0 HFAALP CN(Cc1ccon1)C(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000020149349 558340362 /nfs/dbraw/zinc/34/03/62/558340362.db2.gz YEFQHRLTZRRUOO-UHFFFAOYSA-N 2 2 412.534 2.884 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C3(c4ccccc4)CC3)c2)CC1 ZINC000019340313 558871337 /nfs/dbraw/zinc/87/13/37/558871337.db2.gz WDQCDQZOEDHFHI-QHCPKHFHSA-N 2 2 409.574 2.843 50 0 HFAALP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000058337786 558920321 /nfs/dbraw/zinc/92/03/21/558920321.db2.gz XXAIABKDWYDYHF-XLIONFOSSA-N 2 2 421.969 2.868 50 0 HFAALP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000058337786 558920324 /nfs/dbraw/zinc/92/03/24/558920324.db2.gz XXAIABKDWYDYHF-XLIONFOSSA-N 2 2 421.969 2.868 50 0 HFAALP O=C(NC1(CO)CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082100099 559038056 /nfs/dbraw/zinc/03/80/56/559038056.db2.gz GPYIXQMXIDMGLA-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NC1(CO)CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082100099 559038057 /nfs/dbraw/zinc/03/80/57/559038057.db2.gz GPYIXQMXIDMGLA-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121420 559039581 /nfs/dbraw/zinc/03/95/81/559039581.db2.gz LIUHDRGKAIEBMS-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121420 559039582 /nfs/dbraw/zinc/03/95/82/559039582.db2.gz LIUHDRGKAIEBMS-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091988494 559074938 /nfs/dbraw/zinc/07/49/38/559074938.db2.gz HHUIWJPZJWBAJZ-MRXNPFEDSA-N 2 2 408.506 2.548 50 0 HFAALP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091988494 559074939 /nfs/dbraw/zinc/07/49/39/559074939.db2.gz HHUIWJPZJWBAJZ-MRXNPFEDSA-N 2 2 408.506 2.548 50 0 HFAALP OCCC[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)nc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095370202 559080277 /nfs/dbraw/zinc/08/02/77/559080277.db2.gz OGDNCJCFONCBIA-MOPGFXCFSA-N 2 2 402.564 2.500 50 0 HFAALP OCCC[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)nc2)CC[C@@H]1[NH+]1CCOCC1 ZINC000095370202 559080279 /nfs/dbraw/zinc/08/02/79/559080279.db2.gz OGDNCJCFONCBIA-MOPGFXCFSA-N 2 2 402.564 2.500 50 0 HFAALP COc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095498177 559081681 /nfs/dbraw/zinc/08/16/81/559081681.db2.gz JBGUDPGALQCQDO-LJQANCHMSA-N 2 2 402.539 2.666 50 0 HFAALP COc1cc(C[N@H+](C)Cc2ncc[nH]2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095498177 559081683 /nfs/dbraw/zinc/08/16/83/559081683.db2.gz JBGUDPGALQCQDO-LJQANCHMSA-N 2 2 402.539 2.666 50 0 HFAALP COc1cc(C[N@@H+](C)Cc2ncc[nH]2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095498177 559081684 /nfs/dbraw/zinc/08/16/84/559081684.db2.gz JBGUDPGALQCQDO-LJQANCHMSA-N 2 2 402.539 2.666 50 0 HFAALP Cn1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529364 559086633 /nfs/dbraw/zinc/08/66/33/559086633.db2.gz KEXFEVSWSKORJN-GOSISDBHSA-N 2 2 403.958 2.899 50 0 HFAALP Cn1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529364 559086635 /nfs/dbraw/zinc/08/66/35/559086635.db2.gz KEXFEVSWSKORJN-GOSISDBHSA-N 2 2 403.958 2.899 50 0 HFAALP Cn1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529364 559086636 /nfs/dbraw/zinc/08/66/36/559086636.db2.gz KEXFEVSWSKORJN-GOSISDBHSA-N 2 2 403.958 2.899 50 0 HFAALP Cn1ccc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529364 559086638 /nfs/dbraw/zinc/08/66/38/559086638.db2.gz KEXFEVSWSKORJN-GOSISDBHSA-N 2 2 403.958 2.899 50 0 HFAALP COc1ccccc1N1CC[NH+](Cc2coc(=O)c(C[NH+]3CCCCC3)c2O)CC1 ZINC000101374420 560793564 /nfs/dbraw/zinc/79/35/64/560793564.db2.gz PPRGRCNVDGDXRO-UHFFFAOYSA-N 2 2 413.518 2.662 50 0 HFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@H]3C[NH+]4CCC3CC4)csc2C1 ZINC000426635353 568724408 /nfs/dbraw/zinc/72/44/08/568724408.db2.gz KJXDYEMNGCBCRR-IBGZPJMESA-N 2 2 400.548 2.735 50 0 HFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@H]3C[NH+]4CCC3CC4)csc2C1 ZINC000426635353 568724411 /nfs/dbraw/zinc/72/44/11/568724411.db2.gz KJXDYEMNGCBCRR-IBGZPJMESA-N 2 2 400.548 2.735 50 0 HFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(OC)c(OC)c2)C3)CC1 ZINC000015779561 569001885 /nfs/dbraw/zinc/00/18/85/569001885.db2.gz PHLAWEULGTWSQB-UHFFFAOYSA-N 2 2 411.550 2.584 50 0 HFAALP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(OC)c(OC)c2)C3)CC1 ZINC000015779561 569001887 /nfs/dbraw/zinc/00/18/87/569001887.db2.gz PHLAWEULGTWSQB-UHFFFAOYSA-N 2 2 411.550 2.584 50 0 HFAALP Cc1nc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000036340420 569141676 /nfs/dbraw/zinc/14/16/76/569141676.db2.gz DWKCMYOZCCDFMB-QFIPXVFZSA-N 2 2 412.578 2.840 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](C(C)C)CC3)C2)nc[nH+]1 ZINC000065244837 569204731 /nfs/dbraw/zinc/20/47/31/569204731.db2.gz GKLLXYVUZSVSAX-IBGZPJMESA-N 2 2 402.587 2.848 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](C(C)C)CC3)C2)[nH+]cn1 ZINC000065244837 569204733 /nfs/dbraw/zinc/20/47/33/569204733.db2.gz GKLLXYVUZSVSAX-IBGZPJMESA-N 2 2 402.587 2.848 50 0 HFAALP CN(C)c1nc(N2CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC2)cc[nH+]1 ZINC000253416037 569367196 /nfs/dbraw/zinc/36/71/96/569367196.db2.gz OJYKSBWVYAFTLE-UHFFFAOYSA-N 2 2 406.575 2.700 50 0 HFAALP CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCN(c4ccc(C)c(C)c4)CC3)o2)CC1 ZINC000034668129 557361681 /nfs/dbraw/zinc/36/16/81/557361681.db2.gz ASOZURODPFJUHH-UHFFFAOYSA-N 2 2 410.562 2.996 50 0 HFAALP COc1cc(/C=C/C[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)ccc1O ZINC000011843911 558288735 /nfs/dbraw/zinc/28/87/35/558288735.db2.gz IKXQPNCEONCBJX-NSCUHMNNSA-N 2 2 413.562 2.869 50 0 HFAALP CCc1[nH]c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055255340 558877940 /nfs/dbraw/zinc/87/79/40/558877940.db2.gz GCIHNWYLRCFDIW-HXUWFJFHSA-N 2 2 400.567 2.975 50 0 HFAALP CCc1[nH]c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055255340 558877942 /nfs/dbraw/zinc/87/79/42/558877942.db2.gz GCIHNWYLRCFDIW-HXUWFJFHSA-N 2 2 400.567 2.975 50 0 HFAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000067621332 558989722 /nfs/dbraw/zinc/98/97/22/558989722.db2.gz JSBYGYXAFBJPQN-UHFFFAOYSA-N 2 2 400.350 2.654 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082099072 559037836 /nfs/dbraw/zinc/03/78/36/559037836.db2.gz IQOZAZQSQJIFPJ-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082099072 559037837 /nfs/dbraw/zinc/03/78/37/559037837.db2.gz IQOZAZQSQJIFPJ-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082099070 559037840 /nfs/dbraw/zinc/03/78/40/559037840.db2.gz IQOZAZQSQJIFPJ-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4cccnc4)C3)CC2)n1 ZINC000082099070 559037841 /nfs/dbraw/zinc/03/78/41/559037841.db2.gz IQOZAZQSQJIFPJ-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP CCCC[C@H]1C[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000011870513 559264625 /nfs/dbraw/zinc/26/46/25/559264625.db2.gz OSFLDXAZVINGPV-FPOVZHCZSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@H]1C[N@@H+](CC(=O)NC[C@@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000011870513 559264626 /nfs/dbraw/zinc/26/46/26/559264626.db2.gz OSFLDXAZVINGPV-FPOVZHCZSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@H]1C[NH+](CC(=O)NC[C@@H]2CC[N@H+](CCOC)C2)Cc2ccccc2O1 ZINC000011870513 559264628 /nfs/dbraw/zinc/26/46/28/559264628.db2.gz OSFLDXAZVINGPV-FPOVZHCZSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@H]1C[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000011870513 559264629 /nfs/dbraw/zinc/26/46/29/559264629.db2.gz OSFLDXAZVINGPV-FPOVZHCZSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000011870510 559264692 /nfs/dbraw/zinc/26/46/92/559264692.db2.gz OSFLDXAZVINGPV-PZJWPPBQSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000011870510 559264694 /nfs/dbraw/zinc/26/46/94/559264694.db2.gz OSFLDXAZVINGPV-PZJWPPBQSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CC[N@H+](CCOC)C2)Cc2ccccc2O1 ZINC000011870510 559264696 /nfs/dbraw/zinc/26/46/96/559264696.db2.gz OSFLDXAZVINGPV-PZJWPPBQSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000011870510 559264697 /nfs/dbraw/zinc/26/46/97/559264697.db2.gz OSFLDXAZVINGPV-PZJWPPBQSA-N 2 2 403.567 2.524 50 0 HFAALP C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035926941 569066431 /nfs/dbraw/zinc/06/64/31/569066431.db2.gz QRJFXEXSJKUBPH-UHFFFAOYSA-N 2 2 403.530 2.724 50 0 HFAALP C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000035926941 569066432 /nfs/dbraw/zinc/06/64/32/569066432.db2.gz QRJFXEXSJKUBPH-UHFFFAOYSA-N 2 2 403.530 2.724 50 0 HFAALP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000252584940 569294519 /nfs/dbraw/zinc/29/45/19/569294519.db2.gz DXRXGRWYXJHXMC-ZJSXRUAMSA-N 2 2 422.573 2.698 50 0 HFAALP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000252584940 569294520 /nfs/dbraw/zinc/29/45/20/569294520.db2.gz DXRXGRWYXJHXMC-ZJSXRUAMSA-N 2 2 422.573 2.698 50 0 HFAALP CCn1c2ccccc2nc1CN1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020540103 523285662 /nfs/dbraw/zinc/28/56/62/523285662.db2.gz CGNZKUQHLWLBBW-NRFANRHFSA-N 2 2 413.610 2.798 50 0 HFAALP CCn1c2ccccc2nc1CN1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020540103 523285669 /nfs/dbraw/zinc/28/56/69/523285669.db2.gz CGNZKUQHLWLBBW-NRFANRHFSA-N 2 2 413.610 2.798 50 0 HFAALP CO[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](Cc4cccc(C)n4)CC3)CC2)C1 ZINC000043004977 523586610 /nfs/dbraw/zinc/58/66/10/523586610.db2.gz OVYOHPHQZJLQRT-HSZRJFAPSA-N 2 2 414.594 2.704 50 0 HFAALP C[NH+](C)CCN(C[C@H]1C[N@H+](Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691932 557372505 /nfs/dbraw/zinc/37/25/05/557372505.db2.gz RNEYKVNDBJWUST-LJQANCHMSA-N 2 2 405.539 2.792 50 0 HFAALP C[NH+](C)CCN(C[C@H]1C[N@@H+](Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691932 557372508 /nfs/dbraw/zinc/37/25/08/557372508.db2.gz RNEYKVNDBJWUST-LJQANCHMSA-N 2 2 405.539 2.792 50 0 HFAALP Cc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCN(CCO)CC2)cc1 ZINC000019879856 558300540 /nfs/dbraw/zinc/30/05/40/558300540.db2.gz ANFADVVZWKNOQS-UHFFFAOYSA-N 2 2 403.530 2.874 50 0 HFAALP COc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012301704 558371576 /nfs/dbraw/zinc/37/15/76/558371576.db2.gz ACIGXTODXSXKMG-UHFFFAOYSA-N 2 2 400.523 2.963 50 0 HFAALP COc1ccc(CC[NH+]2CCC(CN(C)C(=O)C[N@H+](C)Cc3ccncc3)CC2)cc1 ZINC000012449071 558415908 /nfs/dbraw/zinc/41/59/08/558415908.db2.gz GUACVFSVDJASAR-UHFFFAOYSA-N 2 2 424.589 2.935 50 0 HFAALP COc1ccc(CC[NH+]2CCC(CN(C)C(=O)C[N@@H+](C)Cc3ccncc3)CC2)cc1 ZINC000012449071 558415909 /nfs/dbraw/zinc/41/59/09/558415909.db2.gz GUACVFSVDJASAR-UHFFFAOYSA-N 2 2 424.589 2.935 50 0 HFAALP CCn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000023380321 558555239 /nfs/dbraw/zinc/55/52/39/558555239.db2.gz ZLNAJTCCBOMRMZ-HXUWFJFHSA-N 2 2 410.566 2.639 50 0 HFAALP CCn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000023380321 558555240 /nfs/dbraw/zinc/55/52/40/558555240.db2.gz ZLNAJTCCBOMRMZ-HXUWFJFHSA-N 2 2 410.566 2.639 50 0 HFAALP COc1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015064479 558707295 /nfs/dbraw/zinc/70/72/95/558707295.db2.gz SMCJLNGYRMPHFK-HXUWFJFHSA-N 2 2 420.937 2.710 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000072308991 558772020 /nfs/dbraw/zinc/77/20/20/558772020.db2.gz SKCKJVPXLZNXFF-RAUGYKEMSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000072308991 558772024 /nfs/dbraw/zinc/77/20/24/558772024.db2.gz SKCKJVPXLZNXFF-RAUGYKEMSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000072308991 558772026 /nfs/dbraw/zinc/77/20/26/558772026.db2.gz SKCKJVPXLZNXFF-RAUGYKEMSA-N 2 2 416.610 2.833 50 0 HFAALP C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072308991 558772029 /nfs/dbraw/zinc/77/20/29/558772029.db2.gz SKCKJVPXLZNXFF-RAUGYKEMSA-N 2 2 416.610 2.833 50 0 HFAALP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@@H+]1Cc1ccc(F)cc1F ZINC000064131498 558962251 /nfs/dbraw/zinc/96/22/51/558962251.db2.gz VMEBJAPEADJESM-MJGOQNOKSA-N 2 2 420.529 2.773 50 0 HFAALP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@H+]1Cc1ccc(F)cc1F ZINC000064131498 558962255 /nfs/dbraw/zinc/96/22/55/558962255.db2.gz VMEBJAPEADJESM-MJGOQNOKSA-N 2 2 420.529 2.773 50 0 HFAALP Cc1nnc(C[NH+]2CCC3(CN(CCC[N@@H+](C)C4CCCCC4)C(=O)O3)CC2)o1 ZINC000077393309 559003682 /nfs/dbraw/zinc/00/36/82/559003682.db2.gz BLWRPVASQDKJPD-UHFFFAOYSA-N 2 2 405.543 2.819 50 0 HFAALP Cc1nnc(C[NH+]2CCC3(CN(CCC[N@H+](C)C4CCCCC4)C(=O)O3)CC2)o1 ZINC000077393309 559003686 /nfs/dbraw/zinc/00/36/86/559003686.db2.gz BLWRPVASQDKJPD-UHFFFAOYSA-N 2 2 405.543 2.819 50 0 HFAALP O=C(NCCc1nccs1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082093043 559037314 /nfs/dbraw/zinc/03/73/14/559037314.db2.gz MKCZFCDSNKWPPZ-IBGZPJMESA-N 2 2 413.591 2.573 50 0 HFAALP O=C(NCCc1nccs1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082093043 559037315 /nfs/dbraw/zinc/03/73/15/559037315.db2.gz MKCZFCDSNKWPPZ-IBGZPJMESA-N 2 2 413.591 2.573 50 0 HFAALP Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000091505408 559071785 /nfs/dbraw/zinc/07/17/85/559071785.db2.gz GITGVLCRSKZRNF-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000091505408 559071787 /nfs/dbraw/zinc/07/17/87/559071787.db2.gz GITGVLCRSKZRNF-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP COCC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091872582 559074426 /nfs/dbraw/zinc/07/44/26/559074426.db2.gz HGEIOOHRWUTGNF-QFIPXVFZSA-N 2 2 414.594 2.643 50 0 HFAALP COCC1CCN(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091872582 559074427 /nfs/dbraw/zinc/07/44/27/559074427.db2.gz HGEIOOHRWUTGNF-QFIPXVFZSA-N 2 2 414.594 2.643 50 0 HFAALP CC[N@@H+]1CC[C@H](CNC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426490367 559271822 /nfs/dbraw/zinc/27/18/22/559271822.db2.gz BCYBUJJJSDNDHQ-MRXNPFEDSA-N 2 2 402.564 2.983 50 0 HFAALP CC[N@H+]1CC[C@H](CNC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426490367 559271824 /nfs/dbraw/zinc/27/18/24/559271824.db2.gz BCYBUJJJSDNDHQ-MRXNPFEDSA-N 2 2 402.564 2.983 50 0 HFAALP CC[NH+]1CC[C@H](CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426490367 559271826 /nfs/dbraw/zinc/27/18/26/559271826.db2.gz BCYBUJJJSDNDHQ-MRXNPFEDSA-N 2 2 402.564 2.983 50 0 HFAALP CC[NH+]1CC[C@H](CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426490367 559271828 /nfs/dbraw/zinc/27/18/28/559271828.db2.gz BCYBUJJJSDNDHQ-MRXNPFEDSA-N 2 2 402.564 2.983 50 0 HFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)NCC3CC[NH+](C)CC3)csc2C1 ZINC000426475378 559271872 /nfs/dbraw/zinc/27/18/72/559271872.db2.gz GRMVBPYAQUTTDO-UHFFFAOYSA-N 2 2 402.564 2.983 50 0 HFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)NCC3CC[NH+](C)CC3)csc2C1 ZINC000426475378 559271875 /nfs/dbraw/zinc/27/18/75/559271875.db2.gz GRMVBPYAQUTTDO-UHFFFAOYSA-N 2 2 402.564 2.983 50 0 HFAALP Cc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000097010852 568766323 /nfs/dbraw/zinc/76/63/23/568766323.db2.gz JKNHXJZTBZHGKT-UHFFFAOYSA-N 2 2 424.545 2.726 50 0 HFAALP Cc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000097010852 568766325 /nfs/dbraw/zinc/76/63/25/568766325.db2.gz JKNHXJZTBZHGKT-UHFFFAOYSA-N 2 2 424.545 2.726 50 0 HFAALP COc1cccc(C[N@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000008428791 569002508 /nfs/dbraw/zinc/00/25/08/569002508.db2.gz DLORVMGSOIXCIA-IBGZPJMESA-N 2 2 411.546 2.869 50 0 HFAALP COc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000008428791 569002509 /nfs/dbraw/zinc/00/25/09/569002509.db2.gz DLORVMGSOIXCIA-IBGZPJMESA-N 2 2 411.546 2.869 50 0 HFAALP CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340449 569141620 /nfs/dbraw/zinc/14/16/20/569141620.db2.gz HBKHCYAPFAYTGQ-QFIPXVFZSA-N 2 2 412.578 2.984 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000065242442 569204710 /nfs/dbraw/zinc/20/47/10/569204710.db2.gz DBTVTGAUTCUXIL-MOPGFXCFSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000065242442 569204711 /nfs/dbraw/zinc/20/47/11/569204711.db2.gz DBTVTGAUTCUXIL-MOPGFXCFSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000065242442 569204713 /nfs/dbraw/zinc/20/47/13/569204713.db2.gz DBTVTGAUTCUXIL-MOPGFXCFSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000065242442 569204714 /nfs/dbraw/zinc/20/47/14/569204714.db2.gz DBTVTGAUTCUXIL-MOPGFXCFSA-N 2 2 402.587 2.896 50 0 HFAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245228 569205099 /nfs/dbraw/zinc/20/50/99/569205099.db2.gz WAKNLWWSCDEJDY-PKOBYXMFSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245228 569205101 /nfs/dbraw/zinc/20/51/01/569205101.db2.gz WAKNLWWSCDEJDY-PKOBYXMFSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245228 569205103 /nfs/dbraw/zinc/20/51/03/569205103.db2.gz WAKNLWWSCDEJDY-PKOBYXMFSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245228 569205104 /nfs/dbraw/zinc/20/51/04/569205104.db2.gz WAKNLWWSCDEJDY-PKOBYXMFSA-N 2 2 400.571 2.648 50 0 HFAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012553684 132363259 /nfs/dbraw/zinc/36/32/59/132363259.db2.gz OZAJZHFXGDQTLI-FQEVSTJZSA-N 2 2 410.537 2.681 50 0 HFAALP C[NH+]1CCC(N2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)CC1 ZINC000020536774 523771293 /nfs/dbraw/zinc/77/12/93/523771293.db2.gz XUKINPGAHZUJSA-FQEVSTJZSA-N 2 2 400.592 2.773 50 0 HFAALP C[NH+]1CCC(N2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@@H]2CCO)CC1 ZINC000020536774 523771298 /nfs/dbraw/zinc/77/12/98/523771298.db2.gz XUKINPGAHZUJSA-FQEVSTJZSA-N 2 2 400.592 2.773 50 0 HFAALP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](Cc3cccn3-c3ccccn3)CC2)CC1 ZINC000020109863 558335318 /nfs/dbraw/zinc/33/53/18/558335318.db2.gz HCYMHXZPYPNOHP-UHFFFAOYSA-N 2 2 407.562 2.827 50 0 HFAALP COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012307325 558375790 /nfs/dbraw/zinc/37/57/90/558375790.db2.gz JTSOFOPQPUJUQZ-QFIPXVFZSA-N 2 2 400.498 2.891 50 0 HFAALP COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012307325 558375793 /nfs/dbraw/zinc/37/57/93/558375793.db2.gz JTSOFOPQPUJUQZ-QFIPXVFZSA-N 2 2 400.498 2.891 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C3CCCCCC3)cc2OC)CC1 ZINC000020513465 558382611 /nfs/dbraw/zinc/38/26/11/558382611.db2.gz KZQOSMZXNOIAGR-JOCHJYFZSA-N 2 2 419.610 2.885 50 0 HFAALP CC[C@H](COC)NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000020781658 558412867 /nfs/dbraw/zinc/41/28/67/558412867.db2.gz YKAQVUZZNRSSEC-HXUWFJFHSA-N 2 2 402.583 2.608 50 0 HFAALP S=C(NCC[NH+]1CCOCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021548827 558441327 /nfs/dbraw/zinc/44/13/27/558441327.db2.gz UQQLBUWDYNYLOX-UHFFFAOYSA-N 2 2 424.614 2.600 50 0 HFAALP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2C[C@@H](CO)[N@H+](C)[C@H]2c2ccccc2F)c1 ZINC000055099370 558872302 /nfs/dbraw/zinc/87/23/02/558872302.db2.gz FZVQXZZWKXPELX-JXALWOEJSA-N 3 2 415.553 2.910 50 0 HFAALP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H]2C[C@@H](CO)[N@@H+](C)[C@H]2c2ccccc2F)c1 ZINC000055099370 558872305 /nfs/dbraw/zinc/87/23/05/558872305.db2.gz FZVQXZZWKXPELX-JXALWOEJSA-N 3 2 415.553 2.910 50 0 HFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]cn1 ZINC000067602050 558987808 /nfs/dbraw/zinc/98/78/08/558987808.db2.gz YTLRYESHUJKFIY-UHFFFAOYSA-N 2 2 416.407 2.952 50 0 HFAALP COc1ccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)cc1 ZINC000077137526 558999606 /nfs/dbraw/zinc/99/96/06/558999606.db2.gz FIVNQXRTXWLHFX-UHFFFAOYSA-N 2 2 406.490 2.559 50 0 HFAALP O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082115718 559039073 /nfs/dbraw/zinc/03/90/73/559039073.db2.gz OYVWHUBJVAUHLS-FQEVSTJZSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082115718 559039074 /nfs/dbraw/zinc/03/90/74/559039074.db2.gz OYVWHUBJVAUHLS-FQEVSTJZSA-N 2 2 408.546 2.780 50 0 HFAALP CN(Cc1cccnc1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082148020 559041026 /nfs/dbraw/zinc/04/10/26/559041026.db2.gz MASFZVNZPPYGNH-QFIPXVFZSA-N 2 2 407.562 2.812 50 0 HFAALP CN(Cc1cccnc1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082148020 559041028 /nfs/dbraw/zinc/04/10/28/559041028.db2.gz MASFZVNZPPYGNH-QFIPXVFZSA-N 2 2 407.562 2.812 50 0 HFAALP Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000091505409 559071756 /nfs/dbraw/zinc/07/17/56/559071756.db2.gz GITGVLCRSKZRNF-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000091505409 559071757 /nfs/dbraw/zinc/07/17/57/559071757.db2.gz GITGVLCRSKZRNF-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP CCc1[nH]c(C[NH+]2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)c(C)[nH+]1 ZINC000014533894 559167477 /nfs/dbraw/zinc/16/74/77/559167477.db2.gz YAJBLNLGGAMPET-UHFFFAOYSA-N 2 2 409.534 2.752 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]CC3CCCCC3)cc2OC)CC1 ZINC000020534717 568629994 /nfs/dbraw/zinc/62/99/94/568629994.db2.gz ODUSGNMCSBLVAX-QFIPXVFZSA-N 2 2 419.610 2.742 50 0 HFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[C@H](C[NH+](C)C)C3)csc2C1 ZINC000426684555 569073872 /nfs/dbraw/zinc/07/38/72/569073872.db2.gz SSFNJOAWAXCPHN-MRXNPFEDSA-N 2 2 402.564 2.935 50 0 HFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[C@H](C[NH+](C)C)C3)csc2C1 ZINC000426684555 569073873 /nfs/dbraw/zinc/07/38/73/569073873.db2.gz SSFNJOAWAXCPHN-MRXNPFEDSA-N 2 2 402.564 2.935 50 0 HFAALP CCCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCC3)CC2)nc[nH+]1 ZINC000065274204 569214954 /nfs/dbraw/zinc/21/49/54/569214954.db2.gz UVCQDQHYMASGGF-UHFFFAOYSA-N 2 2 402.587 2.897 50 0 HFAALP CCCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCC3)CC2)[nH+]cn1 ZINC000065274204 569214955 /nfs/dbraw/zinc/21/49/55/569214955.db2.gz UVCQDQHYMASGGF-UHFFFAOYSA-N 2 2 402.587 2.897 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NCC)[nH+]cn3)CC2)CC1 ZINC000065274254 569215064 /nfs/dbraw/zinc/21/50/64/569215064.db2.gz XDFDYNNVMFBWGL-UHFFFAOYSA-N 2 2 402.587 2.849 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NCC)nc[nH+]3)CC2)CC1 ZINC000065274254 569215066 /nfs/dbraw/zinc/21/50/66/569215066.db2.gz XDFDYNNVMFBWGL-UHFFFAOYSA-N 2 2 402.587 2.849 50 0 HFAALP COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000032776774 525412020 /nfs/dbraw/zinc/41/20/20/525412020.db2.gz OUNHDKOTXKIIOB-OAQYLSRUSA-N 2 2 424.545 2.975 50 0 HFAALP COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)c1 ZINC000032776774 525412029 /nfs/dbraw/zinc/41/20/29/525412029.db2.gz OUNHDKOTXKIIOB-OAQYLSRUSA-N 2 2 424.545 2.975 50 0 HFAALP CC[NH+](CC)CCNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000011821434 558284880 /nfs/dbraw/zinc/28/48/80/558284880.db2.gz YPBYZDLKIZFBPH-UHFFFAOYSA-N 3 2 415.626 2.524 50 0 HFAALP CCn1ccnc1C[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)C(C)C)c1 ZINC000012297559 558367638 /nfs/dbraw/zinc/36/76/38/558367638.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 2 2 404.555 2.624 50 0 HFAALP CCn1ccnc1C[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](C)C(C)C)c1 ZINC000012297559 558367639 /nfs/dbraw/zinc/36/76/39/558367639.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 2 2 404.555 2.624 50 0 HFAALP CCn1ccnc1C[NH+](C)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000012297559 558367641 /nfs/dbraw/zinc/36/76/41/558367641.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 2 2 404.555 2.624 50 0 HFAALP CCn1ccnc1C[NH+](C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012297559 558367643 /nfs/dbraw/zinc/36/76/43/558367643.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 2 2 404.555 2.624 50 0 HFAALP CCn1cc[nH+]c1CN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000012297559 558367645 /nfs/dbraw/zinc/36/76/45/558367645.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 2 2 404.555 2.624 50 0 HFAALP CCn1cc[nH+]c1CN(C)Cc1ccc(OC)c(OC[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012297559 558367646 /nfs/dbraw/zinc/36/76/46/558367646.db2.gz HGZILRLLKXSKBF-LJQANCHMSA-N 2 2 404.555 2.624 50 0 HFAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729748 558585791 /nfs/dbraw/zinc/58/57/91/558585791.db2.gz SAQGBUHBMHHBPK-UHFFFAOYSA-N 2 2 405.462 2.840 50 0 HFAALP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@H+](C)Cc3cccc(Cl)c3)cc2)CC1 ZINC000019222760 558852366 /nfs/dbraw/zinc/85/23/66/558852366.db2.gz LLZFSLKGSYJBTQ-QFIPXVFZSA-N 2 2 417.981 2.959 50 0 HFAALP CN1CC[NH+](C[C@H](O)COc2ccc(C[N@@H+](C)Cc3cccc(Cl)c3)cc2)CC1 ZINC000019222760 558852369 /nfs/dbraw/zinc/85/23/69/558852369.db2.gz LLZFSLKGSYJBTQ-QFIPXVFZSA-N 2 2 417.981 2.959 50 0 HFAALP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000058337787 558920299 /nfs/dbraw/zinc/92/02/99/558920299.db2.gz XXAIABKDWYDYHF-PXNSSMCTSA-N 2 2 421.969 2.868 50 0 HFAALP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000058337787 558920302 /nfs/dbraw/zinc/92/03/02/558920302.db2.gz XXAIABKDWYDYHF-PXNSSMCTSA-N 2 2 421.969 2.868 50 0 HFAALP Cc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1 ZINC000082091884 559037155 /nfs/dbraw/zinc/03/71/55/559037155.db2.gz LGEJYMQKXMLQCV-OAQYLSRUSA-N 2 2 407.562 2.825 50 0 HFAALP Cc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1 ZINC000082091884 559037157 /nfs/dbraw/zinc/03/71/57/559037157.db2.gz LGEJYMQKXMLQCV-OAQYLSRUSA-N 2 2 407.562 2.825 50 0 HFAALP C[C@H]1CN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)CC[NH2+]1 ZINC000082161736 559041777 /nfs/dbraw/zinc/04/17/77/559041777.db2.gz PJQIGTHEJZZGGI-NRFANRHFSA-N 3 2 412.622 2.616 50 0 HFAALP COc1cc(CN(C)Cc2[nH]cc[nH+]2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095498178 559081796 /nfs/dbraw/zinc/08/17/96/559081796.db2.gz JBGUDPGALQCQDO-IBGZPJMESA-N 2 2 402.539 2.666 50 0 HFAALP COc1cc(C[N@H+](C)Cc2ncc[nH]2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095498178 559081799 /nfs/dbraw/zinc/08/17/99/559081799.db2.gz JBGUDPGALQCQDO-IBGZPJMESA-N 2 2 402.539 2.666 50 0 HFAALP COc1cc(C[N@@H+](C)Cc2ncc[nH]2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095498178 559081801 /nfs/dbraw/zinc/08/18/01/559081801.db2.gz JBGUDPGALQCQDO-IBGZPJMESA-N 2 2 402.539 2.666 50 0 HFAALP Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000072303448 559124192 /nfs/dbraw/zinc/12/41/92/559124192.db2.gz LZPWYEUHEGYCBT-KRWDZBQOSA-N 2 2 408.481 2.864 50 0 HFAALP OCC[C@@H]1CN(C2CC[NH+](Cc3ccco3)CC2)CC[N@@H+]1Cc1ccccc1F ZINC000107100697 559164581 /nfs/dbraw/zinc/16/45/81/559164581.db2.gz UGSQTLAHKRLBSK-OAQYLSRUSA-N 2 2 401.526 2.952 50 0 HFAALP OCC[C@@H]1CN(C2CC[NH+](Cc3ccco3)CC2)CC[N@H+]1Cc1ccccc1F ZINC000107100697 559164583 /nfs/dbraw/zinc/16/45/83/559164583.db2.gz UGSQTLAHKRLBSK-OAQYLSRUSA-N 2 2 401.526 2.952 50 0 HFAALP O=c1occ(C[NH+]2CCCCC2)c(O)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000101374880 560793520 /nfs/dbraw/zinc/79/35/20/560793520.db2.gz JOGLIJJQSPULBO-UHFFFAOYSA-N 2 2 401.482 2.793 50 0 HFAALP COc1cccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCCCC4)c3O)CC2)c1 ZINC000101410655 560794495 /nfs/dbraw/zinc/79/44/95/560794495.db2.gz OUHCTDOFIOVMCC-UHFFFAOYSA-N 2 2 413.518 2.662 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000221679112 568510159 /nfs/dbraw/zinc/51/01/59/568510159.db2.gz LWLUWIFGSNECBT-LEWJYISDSA-N 2 2 409.596 2.653 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000221679112 568510160 /nfs/dbraw/zinc/51/01/60/568510160.db2.gz LWLUWIFGSNECBT-LEWJYISDSA-N 2 2 409.596 2.653 50 0 HFAALP Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c1 ZINC000021795713 568753869 /nfs/dbraw/zinc/75/38/69/568753869.db2.gz MBLUHCUQTZUZTM-UHFFFAOYSA-N 2 2 423.565 2.508 50 0 HFAALP COc1ccc(OC)c(C[NH+]2CCC3(C[C@H]3C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000299786066 568875607 /nfs/dbraw/zinc/87/56/07/568875607.db2.gz PBFRLLGTWBEBEV-FQEVSTJZSA-N 2 2 412.534 2.709 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2CCO)CC1 ZINC000104418106 569008746 /nfs/dbraw/zinc/00/87/46/569008746.db2.gz ONLQRBXUXXDLGJ-XMMPIXPASA-N 2 2 411.594 2.614 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@H]2CCO)CC1 ZINC000104418106 569008747 /nfs/dbraw/zinc/00/87/47/569008747.db2.gz ONLQRBXUXXDLGJ-XMMPIXPASA-N 2 2 411.594 2.614 50 0 HFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cnn(-c4ccccc4)c3)C[C@H]2CCO)CC1 ZINC000104418106 569008748 /nfs/dbraw/zinc/00/87/48/569008748.db2.gz ONLQRBXUXXDLGJ-XMMPIXPASA-N 2 2 411.594 2.614 50 0 HFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cnn(-c4ccccc4)c3)C[C@H]2CCO)CC1 ZINC000104418106 569008749 /nfs/dbraw/zinc/00/87/49/569008749.db2.gz ONLQRBXUXXDLGJ-XMMPIXPASA-N 2 2 411.594 2.614 50 0 HFAALP Cc1nc(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257311 569208716 /nfs/dbraw/zinc/20/87/16/569208716.db2.gz NNBSIIBUAMYGHT-UHFFFAOYSA-N 2 2 413.541 2.864 50 0 HFAALP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](C(C)C)CC3)CC2)nc[nH+]1 ZINC000065274093 569214939 /nfs/dbraw/zinc/21/49/39/569214939.db2.gz GPJZIKAKWRGWIW-UHFFFAOYSA-N 2 2 402.587 2.848 50 0 HFAALP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](C(C)C)CC3)CC2)[nH+]cn1 ZINC000065274093 569214940 /nfs/dbraw/zinc/21/49/40/569214940.db2.gz GPJZIKAKWRGWIW-UHFFFAOYSA-N 2 2 402.587 2.848 50 0 HFAALP Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000079495311 569432689 /nfs/dbraw/zinc/43/26/89/569432689.db2.gz OFNPKUVQNLWSQX-UHFFFAOYSA-N 2 2 414.525 2.538 50 0 HFAALP Cc1ccc(NC(=O)NCCCn2cc[nH+]c2)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000022892814 557849093 /nfs/dbraw/zinc/84/90/93/557849093.db2.gz GUUFPSWTLQEZMA-UHFFFAOYSA-N 2 2 424.509 2.812 50 0 HFAALP CC[NH+](CC)CC[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000019792558 558283243 /nfs/dbraw/zinc/28/32/43/558283243.db2.gz ZBPQWCBGXQQWOP-LJQANCHMSA-N 2 2 403.615 2.954 50 0 HFAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCc4ccccn4)c3)CC2)CC1 ZINC000012301964 558371570 /nfs/dbraw/zinc/37/15/70/558371570.db2.gz NEXYIEKRADHWLG-UHFFFAOYSA-N 2 2 422.573 2.992 50 0 HFAALP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](Cc3cccn3-c3nccs3)CC2)CC1 ZINC000012302312 558372013 /nfs/dbraw/zinc/37/20/13/558372013.db2.gz DNTYPBKLZOKQJI-UHFFFAOYSA-N 2 2 413.591 2.889 50 0 HFAALP Cc1[nH]c(CN2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)c[nH+]1 ZINC000012317519 558380806 /nfs/dbraw/zinc/38/08/06/558380806.db2.gz FXZBVRIJUCTNHS-UHFFFAOYSA-N 2 2 409.578 2.753 50 0 HFAALP Cc1[nH]cc(CN2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)[nH+]1 ZINC000012317519 558380808 /nfs/dbraw/zinc/38/08/08/558380808.db2.gz FXZBVRIJUCTNHS-UHFFFAOYSA-N 2 2 409.578 2.753 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3CCCCCC3)cc2OC)CC1 ZINC000020513470 558382545 /nfs/dbraw/zinc/38/25/45/558382545.db2.gz KZQOSMZXNOIAGR-QFIPXVFZSA-N 2 2 419.610 2.885 50 0 HFAALP C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000023372970 558553196 /nfs/dbraw/zinc/55/31/96/558553196.db2.gz CXVRHAKDMOCXMR-FQEVSTJZSA-N 2 2 403.954 2.617 50 0 HFAALP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000023372970 558553199 /nfs/dbraw/zinc/55/31/99/558553199.db2.gz CXVRHAKDMOCXMR-FQEVSTJZSA-N 2 2 403.954 2.617 50 0 HFAALP CCOc1ccc(C(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)cc1 ZINC000072442533 558982198 /nfs/dbraw/zinc/98/21/98/558982198.db2.gz PLBWJBHHIFNLJL-UHFFFAOYSA-N 2 2 420.517 2.949 50 0 HFAALP CCc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC000082135182 559040004 /nfs/dbraw/zinc/04/00/04/559040004.db2.gz WIYKBELHUPQVEV-IBGZPJMESA-N 2 2 422.577 2.740 50 0 HFAALP CCc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC000082135182 559040005 /nfs/dbraw/zinc/04/00/05/559040005.db2.gz WIYKBELHUPQVEV-IBGZPJMESA-N 2 2 422.577 2.740 50 0 HFAALP C[NH+](C)C1(CN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC[NH+](C)CC1 ZINC000091305355 559070942 /nfs/dbraw/zinc/07/09/42/559070942.db2.gz IBAPTGSOTYAJBR-JOCHJYFZSA-N 2 2 401.551 2.613 50 0 HFAALP COc1ccc(C[N@H+](C)Cc2nc(C)c[nH]2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095518651 559084884 /nfs/dbraw/zinc/08/48/84/559084884.db2.gz AZMOMLPAKRHQMW-LJQANCHMSA-N 2 2 402.539 2.584 50 0 HFAALP COc1ccc(C[N@@H+](C)Cc2nc(C)c[nH]2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095518651 559084886 /nfs/dbraw/zinc/08/48/86/559084886.db2.gz AZMOMLPAKRHQMW-LJQANCHMSA-N 2 2 402.539 2.584 50 0 HFAALP COc1ccc(C[N@H+](C)Cc2nc(C)c[nH]2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095518652 559084952 /nfs/dbraw/zinc/08/49/52/559084952.db2.gz AZMOMLPAKRHQMW-IBGZPJMESA-N 2 2 402.539 2.584 50 0 HFAALP COc1ccc(C[N@@H+](C)Cc2nc(C)c[nH]2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095518652 559084954 /nfs/dbraw/zinc/08/49/54/559084954.db2.gz AZMOMLPAKRHQMW-IBGZPJMESA-N 2 2 402.539 2.584 50 0 HFAALP CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713729 568822051 /nfs/dbraw/zinc/82/20/51/568822051.db2.gz XRBWBZKKQRHBLO-UHFFFAOYSA-N 2 2 400.567 2.963 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NCC)[nH+]cn3)C2)CC1 ZINC000065245072 569204801 /nfs/dbraw/zinc/20/48/01/569204801.db2.gz IMXXDIDCBXPRNX-IBGZPJMESA-N 2 2 402.587 2.849 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NCC)nc[nH+]3)C2)CC1 ZINC000065245072 569204802 /nfs/dbraw/zinc/20/48/02/569204802.db2.gz IMXXDIDCBXPRNX-IBGZPJMESA-N 2 2 402.587 2.849 50 0 HFAALP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000249698662 569255412 /nfs/dbraw/zinc/25/54/12/569255412.db2.gz WAKNLWWSCDEJDY-MJGOQNOKSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000249698662 569255414 /nfs/dbraw/zinc/25/54/14/569255414.db2.gz WAKNLWWSCDEJDY-MJGOQNOKSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000249698662 569255416 /nfs/dbraw/zinc/25/54/16/569255416.db2.gz WAKNLWWSCDEJDY-MJGOQNOKSA-N 2 2 400.571 2.648 50 0 HFAALP CC(=O)Nc1ccc2[nH+]c(N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)cc(C)c2c1 ZINC000021704121 519734751 /nfs/dbraw/zinc/73/47/51/519734751.db2.gz XZLZKBJCLOWUAR-UHFFFAOYSA-N 2 2 423.561 2.930 50 0 HFAALP COc1ccccc1N1CCN(c2ncccc2C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000012316502 537071954 /nfs/dbraw/zinc/07/19/54/537071954.db2.gz DUCBHUXYPMPSCV-UHFFFAOYSA-N 2 2 406.534 2.749 50 0 HFAALP O=C(NCC[NH+]1CCCC1)c1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000034668399 557361907 /nfs/dbraw/zinc/36/19/07/557361907.db2.gz SEBFGEHHGYTUJT-UHFFFAOYSA-N 2 2 410.537 2.974 50 0 HFAALP C[NH+]1CCC(N2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]2CCO)CC1 ZINC000019787152 558281682 /nfs/dbraw/zinc/28/16/82/558281682.db2.gz VAZQPDLTSKOCEA-QFIPXVFZSA-N 2 2 401.595 2.971 50 0 HFAALP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@@H]2CCO)CC1 ZINC000019787152 558281684 /nfs/dbraw/zinc/28/16/84/558281684.db2.gz VAZQPDLTSKOCEA-QFIPXVFZSA-N 2 2 401.595 2.971 50 0 HFAALP O=C(CC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019938832 558313265 /nfs/dbraw/zinc/31/32/65/558313265.db2.gz JVUSMBKSBBKMGP-NRFANRHFSA-N 2 2 410.566 2.509 50 0 HFAALP O=C(CC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019938832 558313267 /nfs/dbraw/zinc/31/32/67/558313267.db2.gz JVUSMBKSBBKMGP-NRFANRHFSA-N 2 2 410.566 2.509 50 0 HFAALP COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012307326 558375890 /nfs/dbraw/zinc/37/58/90/558375890.db2.gz JTSOFOPQPUJUQZ-JOCHJYFZSA-N 2 2 400.498 2.891 50 0 HFAALP COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4c[nH+]c(C)n4C)C3)C2=O)c1 ZINC000012307326 558375893 /nfs/dbraw/zinc/37/58/93/558375893.db2.gz JTSOFOPQPUJUQZ-JOCHJYFZSA-N 2 2 400.498 2.891 50 0 HFAALP CCOC(=O)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015062293 558705299 /nfs/dbraw/zinc/70/52/99/558705299.db2.gz WCXNCKLAWLULFZ-OAQYLSRUSA-N 2 2 400.519 2.553 50 0 HFAALP CCOC(=O)C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015062293 558705302 /nfs/dbraw/zinc/70/53/02/558705302.db2.gz WCXNCKLAWLULFZ-OAQYLSRUSA-N 2 2 400.519 2.553 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015062293 558705306 /nfs/dbraw/zinc/70/53/06/558705306.db2.gz WCXNCKLAWLULFZ-OAQYLSRUSA-N 2 2 400.519 2.553 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015062293 558705309 /nfs/dbraw/zinc/70/53/09/558705309.db2.gz WCXNCKLAWLULFZ-OAQYLSRUSA-N 2 2 400.519 2.553 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc[nH+]1 ZINC000071638991 558906215 /nfs/dbraw/zinc/90/62/15/558906215.db2.gz YQLFQXATMXVRLJ-GOSISDBHSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc[nH+]1 ZINC000071638991 558906217 /nfs/dbraw/zinc/90/62/17/558906217.db2.gz YQLFQXATMXVRLJ-GOSISDBHSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)[nH+]cn1 ZINC000071638991 558906219 /nfs/dbraw/zinc/90/62/19/558906219.db2.gz YQLFQXATMXVRLJ-GOSISDBHSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)Nc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)[nH+]cn1 ZINC000071638991 558906223 /nfs/dbraw/zinc/90/62/23/558906223.db2.gz YQLFQXATMXVRLJ-GOSISDBHSA-N 2 2 400.571 2.600 50 0 HFAALP O=C(NC1(CO)CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082100101 559038093 /nfs/dbraw/zinc/03/80/93/559038093.db2.gz GPYIXQMXIDMGLA-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NC1(CO)CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082100101 559038094 /nfs/dbraw/zinc/03/80/94/559038094.db2.gz GPYIXQMXIDMGLA-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP Cc1ccnc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082115647 559039088 /nfs/dbraw/zinc/03/90/88/559039088.db2.gz BJCHRWJJOQHTCV-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1ccnc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082115647 559039090 /nfs/dbraw/zinc/03/90/90/559039090.db2.gz BJCHRWJJOQHTCV-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082160496 559041752 /nfs/dbraw/zinc/04/17/52/559041752.db2.gz VIHMGDQCEAFESK-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082160496 559041753 /nfs/dbraw/zinc/04/17/53/559041753.db2.gz VIHMGDQCEAFESK-OAQYLSRUSA-N 2 2 414.594 2.569 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000082161515 559041756 /nfs/dbraw/zinc/04/17/56/559041756.db2.gz ILIIENABNJGHAX-HXUWFJFHSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000082161515 559041757 /nfs/dbraw/zinc/04/17/57/559041757.db2.gz ILIIENABNJGHAX-HXUWFJFHSA-N 2 2 411.550 2.713 50 0 HFAALP C[NH+]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)CC1 ZINC000082162287 559041887 /nfs/dbraw/zinc/04/18/87/559041887.db2.gz KFWHIUKHCFWTFG-UHFFFAOYSA-N 3 2 412.622 2.570 50 0 HFAALP O=C(NCCc1ccccn1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082172094 559042202 /nfs/dbraw/zinc/04/22/02/559042202.db2.gz XFQMSULXLWMZSU-NRFANRHFSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1ccccn1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082172094 559042203 /nfs/dbraw/zinc/04/22/03/559042203.db2.gz XFQMSULXLWMZSU-NRFANRHFSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091663831 559072834 /nfs/dbraw/zinc/07/28/34/559072834.db2.gz QNEVVBBZHWFYQX-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091663831 559072836 /nfs/dbraw/zinc/07/28/36/559072836.db2.gz QNEVVBBZHWFYQX-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP COCC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091872581 559074435 /nfs/dbraw/zinc/07/44/35/559074435.db2.gz HGEIOOHRWUTGNF-JOCHJYFZSA-N 2 2 414.594 2.643 50 0 HFAALP COCC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CC1 ZINC000091872581 559074437 /nfs/dbraw/zinc/07/44/37/559074437.db2.gz HGEIOOHRWUTGNF-JOCHJYFZSA-N 2 2 414.594 2.643 50 0 HFAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1ccc2c(c1)OCO2 ZINC000000780168 568474594 /nfs/dbraw/zinc/47/45/94/568474594.db2.gz WFRCAMGEBHKJFW-HXUWFJFHSA-N 2 2 408.502 2.870 50 0 HFAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cnc(N2CCOCC2)nc1 ZINC000095990252 568677745 /nfs/dbraw/zinc/67/77/45/568677745.db2.gz NTNBUTHIRFDKIR-UHFFFAOYSA-N 2 2 409.538 2.617 50 0 HFAALP CC[NH+](Cc1ccc2c(c1)OCO2)CC(O)C[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000095996048 568678743 /nfs/dbraw/zinc/67/87/43/568678743.db2.gz RSSSGRFOEVGVCI-UHFFFAOYSA-N 2 2 414.502 2.849 50 0 HFAALP CC[NH+](Cc1ccc2c(c1)OCO2)CC(O)C[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000095996048 568678747 /nfs/dbraw/zinc/67/87/47/568678747.db2.gz RSSSGRFOEVGVCI-UHFFFAOYSA-N 2 2 414.502 2.849 50 0 HFAALP COc1ccc(C(=O)c2c[nH+]c3cc4c(cc3c2N2CC[NH+](C)CC2)OCCO4)cc1 ZINC000021522509 568708728 /nfs/dbraw/zinc/70/87/28/568708728.db2.gz HIVWICMNCBLYRT-UHFFFAOYSA-N 2 2 419.481 2.997 50 0 HFAALP C[NH+]1CCN([C@@H](C[NH2+]Cc2csc(-c3ncccn3)n2)c2cccs2)CC1 ZINC000058208449 568899820 /nfs/dbraw/zinc/89/98/20/568899820.db2.gz MOHQGDXVYGLQBX-INIZCTEOSA-N 2 2 400.577 2.740 50 0 HFAALP C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000035926942 569066512 /nfs/dbraw/zinc/06/65/12/569066512.db2.gz HQVLIKQYLLLBMN-UHFFFAOYSA-N 2 2 421.520 2.863 50 0 HFAALP C[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000035926942 569066513 /nfs/dbraw/zinc/06/65/13/569066513.db2.gz HQVLIKQYLLLBMN-UHFFFAOYSA-N 2 2 421.520 2.863 50 0 HFAALP O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCC[NH+]1CCCCC1 ZINC000065245361 569205119 /nfs/dbraw/zinc/20/51/19/569205119.db2.gz WYZHWQGJHWCBEV-SFHVURJKSA-N 2 2 400.571 2.650 50 0 HFAALP O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCC[NH+]1CCCCC1 ZINC000065245361 569205120 /nfs/dbraw/zinc/20/51/20/569205120.db2.gz WYZHWQGJHWCBEV-SFHVURJKSA-N 2 2 400.571 2.650 50 0 HFAALP [NH3+]C1(CNC(=O)CS(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)CCCCCC1 ZINC000170676338 569297913 /nfs/dbraw/zinc/29/79/13/569297913.db2.gz YAIFJPOHCQKXPU-UHFFFAOYSA-N 2 2 422.595 2.587 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000170690741 569298583 /nfs/dbraw/zinc/29/85/83/569298583.db2.gz LWLUWIFGSNECBT-SFTDATJTSA-N 2 2 409.596 2.653 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000170690741 569298585 /nfs/dbraw/zinc/29/85/85/569298585.db2.gz LWLUWIFGSNECBT-SFTDATJTSA-N 2 2 409.596 2.653 50 0 HFAALP COc1ccccc1C(=O)N1CCN(c2cc(-n3c[nH+]c(C)c3C)nc(C)[nH+]2)CC1 ZINC000077137474 558999573 /nfs/dbraw/zinc/99/95/73/558999573.db2.gz YVZJWXMWWRSZHQ-UHFFFAOYSA-N 2 2 406.490 2.559 50 0 HFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n[nH]1 ZINC000082091588 559036908 /nfs/dbraw/zinc/03/69/08/559036908.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 2 2 409.578 2.753 50 0 HFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n[nH]1 ZINC000082091588 559036910 /nfs/dbraw/zinc/03/69/10/559036910.db2.gz AMIAABFNFJQKSX-NRFANRHFSA-N 2 2 409.578 2.753 50 0 HFAALP Cc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512683 559084274 /nfs/dbraw/zinc/08/42/74/559084274.db2.gz PVEMXEDYAGBFPM-QFIPXVFZSA-N 2 2 408.546 2.901 50 0 HFAALP Cc1cccc(C[N@H+]2CCC[C@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512683 559084275 /nfs/dbraw/zinc/08/42/75/559084275.db2.gz PVEMXEDYAGBFPM-QFIPXVFZSA-N 2 2 408.546 2.901 50 0 HFAALP CCc1ccc(C[N@@H+]2CCc3c(C(=O)NC[C@@H]4C[C@H](F)C[NH2+]4)csc3C2)nc1 ZINC000426571363 559274750 /nfs/dbraw/zinc/27/47/50/559274750.db2.gz COTFALIZLUIZEF-RDJZCZTQSA-N 2 2 402.539 2.694 50 0 HFAALP CCc1ccc(C[N@H+]2CCc3c(C(=O)NC[C@@H]4C[C@H](F)C[NH2+]4)csc3C2)nc1 ZINC000426571363 559274752 /nfs/dbraw/zinc/27/47/52/559274752.db2.gz COTFALIZLUIZEF-RDJZCZTQSA-N 2 2 402.539 2.694 50 0 HFAALP CC(C)[C@H](C(=O)N1CCC[NH+](Cc2ccccc2F)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107135904 560895625 /nfs/dbraw/zinc/89/56/25/560895625.db2.gz ZNLVZJQOPNANHU-XQBPLPMBSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@H](C(=O)N1CCC[NH+](Cc2ccccc2F)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107135904 560895626 /nfs/dbraw/zinc/89/56/26/560895626.db2.gz ZNLVZJQOPNANHU-XQBPLPMBSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107135904 560895627 /nfs/dbraw/zinc/89/56/27/560895627.db2.gz ZNLVZJQOPNANHU-XQBPLPMBSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000107135904 560895628 /nfs/dbraw/zinc/89/56/28/560895628.db2.gz ZNLVZJQOPNANHU-XQBPLPMBSA-N 2 2 405.558 2.994 50 0 HFAALP CC[C@H]1C[N@H+](CC(=O)NCC2CC[NH+](CCOC)CC2)Cc2ccc(Cl)cc2O1 ZINC000012282871 568457888 /nfs/dbraw/zinc/45/78/88/568457888.db2.gz YWJGEMULOKHVGA-FQEVSTJZSA-N 2 2 423.985 2.788 50 0 HFAALP CC[C@H]1C[N@@H+](CC(=O)NCC2CC[NH+](CCOC)CC2)Cc2ccc(Cl)cc2O1 ZINC000012282871 568457891 /nfs/dbraw/zinc/45/78/91/568457891.db2.gz YWJGEMULOKHVGA-FQEVSTJZSA-N 2 2 423.985 2.788 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000241316964 569054719 /nfs/dbraw/zinc/05/47/19/569054719.db2.gz LWLUWIFGSNECBT-NHCUHLMSSA-N 2 2 409.596 2.653 50 0 HFAALP COc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000241316964 569054720 /nfs/dbraw/zinc/05/47/20/569054720.db2.gz LWLUWIFGSNECBT-NHCUHLMSSA-N 2 2 409.596 2.653 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](CCC)CC3)C2)nc[nH+]1 ZINC000065242408 569204741 /nfs/dbraw/zinc/20/47/41/569204741.db2.gz NTYABKTXDWNZRB-LJQANCHMSA-N 2 2 402.587 2.849 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](CCC)CC3)C2)[nH+]cn1 ZINC000065242408 569204742 /nfs/dbraw/zinc/20/47/42/569204742.db2.gz NTYABKTXDWNZRB-LJQANCHMSA-N 2 2 402.587 2.849 50 0 HFAALP CC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCN(c4cccc(OC)c4)CC3)c2)CC1 ZINC000034684829 557387907 /nfs/dbraw/zinc/38/79/07/557387907.db2.gz BAWSIZMWTQFBIV-UHFFFAOYSA-N 2 2 422.573 2.795 50 0 HFAALP C[N@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1CO ZINC000020119577 558336685 /nfs/dbraw/zinc/33/66/85/558336685.db2.gz ZZOFGSIOARUDHV-UTSGNWPNSA-N 2 2 412.553 2.829 50 0 HFAALP C[N@@H+]1[C@@H](c2ccccc2F)[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1CO ZINC000020119577 558336687 /nfs/dbraw/zinc/33/66/87/558336687.db2.gz ZZOFGSIOARUDHV-UTSGNWPNSA-N 2 2 412.553 2.829 50 0 HFAALP c1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C4CCSCC4)C3)CC2)cc2c1OCO2 ZINC000020999046 558427737 /nfs/dbraw/zinc/42/77/37/558427737.db2.gz IPQZMGVWRDIQOH-FQEVSTJZSA-N 2 2 403.592 2.893 50 0 HFAALP c1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C4CCSCC4)C3)CC2)cc2c1OCO2 ZINC000020999046 558427740 /nfs/dbraw/zinc/42/77/40/558427740.db2.gz IPQZMGVWRDIQOH-FQEVSTJZSA-N 2 2 403.592 2.893 50 0 HFAALP O=C(C1CC[NH+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1)N1CCOCC1 ZINC000023429413 558558291 /nfs/dbraw/zinc/55/82/91/558558291.db2.gz PJJGRUMKCJXCOI-UHFFFAOYSA-N 2 2 411.546 2.968 50 0 HFAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccccc3Cl)CC2)CC1)N1CCOCC1 ZINC000055183380 558875257 /nfs/dbraw/zinc/87/52/57/558875257.db2.gz XZVJFGVIBCWJLG-UHFFFAOYSA-N 2 2 405.970 2.875 50 0 HFAALP CC(C)Cn1c[nH+]cc1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405749 558897623 /nfs/dbraw/zinc/89/76/23/558897623.db2.gz VOTBBBCARCKTJB-FQEVSTJZSA-N 2 2 401.599 2.838 50 0 HFAALP CC(C)Cn1c[nH+]cc1CN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405749 558897625 /nfs/dbraw/zinc/89/76/25/558897625.db2.gz VOTBBBCARCKTJB-FQEVSTJZSA-N 2 2 401.599 2.838 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479547 558902346 /nfs/dbraw/zinc/90/23/46/558902346.db2.gz AUDOMFITSXACRV-NRFANRHFSA-N 3 2 409.578 2.787 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479547 558902348 /nfs/dbraw/zinc/90/23/48/558902348.db2.gz AUDOMFITSXACRV-NRFANRHFSA-N 3 2 409.578 2.787 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071774980 558911474 /nfs/dbraw/zinc/91/14/74/558911474.db2.gz BVGIWVBQLFNUON-KRWDZBQOSA-N 2 2 422.533 2.890 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071774980 558911477 /nfs/dbraw/zinc/91/14/77/558911477.db2.gz BVGIWVBQLFNUON-KRWDZBQOSA-N 2 2 422.533 2.890 50 0 HFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)[nH+]cn1 ZINC000067630288 558990418 /nfs/dbraw/zinc/99/04/18/558990418.db2.gz NEKPASNHZNNYKT-UHFFFAOYSA-N 2 2 416.407 2.952 50 0 HFAALP CCOC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000091486722 559071775 /nfs/dbraw/zinc/07/17/75/559071775.db2.gz VTNRLYLKDHSRSE-OAQYLSRUSA-N 2 2 414.594 2.786 50 0 HFAALP CCOC1CCN(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CC1 ZINC000091486722 559071777 /nfs/dbraw/zinc/07/17/77/559071777.db2.gz VTNRLYLKDHSRSE-OAQYLSRUSA-N 2 2 414.594 2.786 50 0 HFAALP Cc1cccnc1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091656534 559072771 /nfs/dbraw/zinc/07/27/71/559072771.db2.gz HVVSGCAAAPGVAX-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccnc1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091656534 559072773 /nfs/dbraw/zinc/07/27/73/559072773.db2.gz HVVSGCAAAPGVAX-OAQYLSRUSA-N 2 2 407.562 2.778 50 0 HFAALP CCc1noc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000095530442 559086694 /nfs/dbraw/zinc/08/66/94/559086694.db2.gz MTSYBWYTDZCMKE-LJQANCHMSA-N 2 2 402.539 2.880 50 0 HFAALP CCc1noc(C[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000095530442 559086695 /nfs/dbraw/zinc/08/66/95/559086695.db2.gz MTSYBWYTDZCMKE-LJQANCHMSA-N 2 2 402.539 2.880 50 0 HFAALP O=C(C[NH+]1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1)NCc1ccccc1 ZINC000011695787 559189039 /nfs/dbraw/zinc/18/90/39/559189039.db2.gz AXMANQMGRBOCBU-UHFFFAOYSA-N 2 2 409.921 2.964 50 0 HFAALP CCCC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000244758091 571206923 /nfs/dbraw/zinc/20/69/23/571206923.db2.gz OSFLDXAZVINGPV-TZIWHRDSSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CC[NH+](CCOC)C2)Cc2ccccc2O1 ZINC000244758091 571206927 /nfs/dbraw/zinc/20/69/27/571206927.db2.gz OSFLDXAZVINGPV-TZIWHRDSSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[NH+](CC(=O)NC[C@H]2CC[N@H+](CCOC)C2)Cc2ccccc2O1 ZINC000244758091 571206931 /nfs/dbraw/zinc/20/69/31/571206931.db2.gz OSFLDXAZVINGPV-TZIWHRDSSA-N 2 2 403.567 2.524 50 0 HFAALP CCCC[C@@H]1C[NH+](CC(=O)NC[C@H]2CC[N@@H+](CCOC)C2)Cc2ccccc2O1 ZINC000244758091 571206933 /nfs/dbraw/zinc/20/69/33/571206933.db2.gz OSFLDXAZVINGPV-TZIWHRDSSA-N 2 2 403.567 2.524 50 0 HFAALP COc1ccccc1N1CC[NH+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000012588256 132364698 /nfs/dbraw/zinc/36/46/98/132364698.db2.gz YURUCGSYBWWHCG-OAQYLSRUSA-N 2 2 422.573 2.723 50 0 HFAALP CC[C@@H](COC)NC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000020781654 558412846 /nfs/dbraw/zinc/41/28/46/558412846.db2.gz YKAQVUZZNRSSEC-FQEVSTJZSA-N 2 2 402.583 2.608 50 0 HFAALP COc1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012447518 558414942 /nfs/dbraw/zinc/41/49/42/558414942.db2.gz VIRBOKCCHCJWGA-JOCHJYFZSA-N 2 2 424.545 2.922 50 0 HFAALP COc1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1OC[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000012447518 558414945 /nfs/dbraw/zinc/41/49/45/558414945.db2.gz VIRBOKCCHCJWGA-JOCHJYFZSA-N 2 2 424.545 2.922 50 0 HFAALP COc1ccc(C[NH+](C)Cc2cc[nH]n2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012447518 558414948 /nfs/dbraw/zinc/41/49/48/558414948.db2.gz VIRBOKCCHCJWGA-JOCHJYFZSA-N 2 2 424.545 2.922 50 0 HFAALP COc1ccc(C[NH+](C)Cc2cc[nH]n2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012447518 558414951 /nfs/dbraw/zinc/41/49/51/558414951.db2.gz VIRBOKCCHCJWGA-JOCHJYFZSA-N 2 2 424.545 2.922 50 0 HFAALP O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000023339900 558550676 /nfs/dbraw/zinc/55/06/76/558550676.db2.gz ZEMQRPQQCAOMMH-JOCHJYFZSA-N 2 2 411.590 2.770 50 0 HFAALP O=C(N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000023339900 558550678 /nfs/dbraw/zinc/55/06/78/558550678.db2.gz ZEMQRPQQCAOMMH-JOCHJYFZSA-N 2 2 411.590 2.770 50 0 HFAALP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013683441 558568092 /nfs/dbraw/zinc/56/80/92/558568092.db2.gz LMKKIIAJCCZBEA-UHFFFAOYSA-N 2 2 407.514 2.969 50 0 HFAALP C[NH+](C)CCNC(=O)CCC1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000014953450 558681510 /nfs/dbraw/zinc/68/15/10/558681510.db2.gz PCAOQUNBONLOJK-UHFFFAOYSA-N 3 2 400.611 2.821 50 0 HFAALP COc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015066235 558708997 /nfs/dbraw/zinc/70/89/97/558708997.db2.gz HHNAXXYZPMNQQV-OAQYLSRUSA-N 2 2 418.509 2.538 50 0 HFAALP COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000015066235 558709001 /nfs/dbraw/zinc/70/90/01/558709001.db2.gz HHNAXXYZPMNQQV-OAQYLSRUSA-N 2 2 418.509 2.538 50 0 HFAALP CCCCN(C)C(=O)c1nc2ccccn2c1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000019148767 558847062 /nfs/dbraw/zinc/84/70/62/558847062.db2.gz SGUOAOGXDOMSDT-UHFFFAOYSA-N 2 2 406.534 2.924 50 0 HFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)Cc4ccc(F)cc4)CC3)[nH+]c(C)n2)c1C ZINC000072437322 558980760 /nfs/dbraw/zinc/98/07/60/558980760.db2.gz USQVYVZRYFEINL-UHFFFAOYSA-N 2 2 408.481 2.618 50 0 HFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]cn1 ZINC000067614161 558989425 /nfs/dbraw/zinc/98/94/25/558989425.db2.gz DMTDUQDQLZFOSF-UHFFFAOYSA-N 2 2 400.845 2.726 50 0 HFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)[nH+]c(C)n2)c1C ZINC000077134219 558999473 /nfs/dbraw/zinc/99/94/73/558999473.db2.gz RPVJERHQOJECAK-UHFFFAOYSA-N 2 2 412.444 2.828 50 0 HFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n[nH]1 ZINC000082091586 559036925 /nfs/dbraw/zinc/03/69/25/559036925.db2.gz AMIAABFNFJQKSX-OAQYLSRUSA-N 2 2 409.578 2.753 50 0 HFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)n[nH]1 ZINC000082091586 559036927 /nfs/dbraw/zinc/03/69/27/559036927.db2.gz AMIAABFNFJQKSX-OAQYLSRUSA-N 2 2 409.578 2.753 50 0 HFAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NC[C@H]4CCCO4)c3)CC2)CC1 ZINC000095497513 559081713 /nfs/dbraw/zinc/08/17/13/559081713.db2.gz FPYLRHWVMPTKBZ-JOCHJYFZSA-N 2 2 401.551 2.533 50 0 HFAALP CC[C@]1(C)C[C@](CCNC(=O)C[NH2+]CCC[NH+](C)C)(c2ccccc2OC)CCO1 ZINC000006759348 569112894 /nfs/dbraw/zinc/11/28/94/569112894.db2.gz GLBQUCGRWDEIQV-DNQXCXABSA-N 2 2 419.610 2.960 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](C(C)C)CC3)C2)nc[nH+]1 ZINC000065244836 569204667 /nfs/dbraw/zinc/20/46/67/569204667.db2.gz GKLLXYVUZSVSAX-LJQANCHMSA-N 2 2 402.587 2.848 50 0 HFAALP CCCNc1cc(N2CCC[C@H](CCC(=O)N3CC[NH+](C(C)C)CC3)C2)[nH+]cn1 ZINC000065244836 569204668 /nfs/dbraw/zinc/20/46/68/569204668.db2.gz GKLLXYVUZSVSAX-LJQANCHMSA-N 2 2 402.587 2.848 50 0 HFAALP CC(=O)C1(c2ccccc2)CC[NH+](Cc2nc(C(=O)NCC[NH+]3CCCC3)co2)CC1 ZINC000037600295 571317564 /nfs/dbraw/zinc/31/75/64/571317564.db2.gz WRLGOBPLWRGIEZ-UHFFFAOYSA-N 2 2 424.545 2.623 50 0 HFAALP CCc1[nH]c(CN2CC[N@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000019781869 558281405 /nfs/dbraw/zinc/28/14/05/558281405.db2.gz GCIHNWYLRCFDIW-FQEVSTJZSA-N 2 2 400.567 2.975 50 0 HFAALP CCc1[nH]c(CN2CC[N@@H+](Cc3ccc(OC)c(C)c3C)[C@@H](CCO)C2)c(C)[nH+]1 ZINC000019781869 558281408 /nfs/dbraw/zinc/28/14/08/558281408.db2.gz GCIHNWYLRCFDIW-FQEVSTJZSA-N 2 2 400.567 2.975 50 0 HFAALP COc1cccc(C[NH2+]Cc2cc(F)ccc2C)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000011956766 558303598 /nfs/dbraw/zinc/30/35/98/558303598.db2.gz ZMSJSZMHKWNDPC-OAQYLSRUSA-N 2 2 418.509 2.504 50 0 HFAALP C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020432365 558362960 /nfs/dbraw/zinc/36/29/60/558362960.db2.gz WEBKZHJPVWUTOP-JOCHJYFZSA-N 2 2 406.574 2.537 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(OC)c1 ZINC000012432252 558406483 /nfs/dbraw/zinc/40/64/83/558406483.db2.gz ZGQQETLZBJLLTI-KRWDZBQOSA-N 2 2 400.523 2.638 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c(OC)c1 ZINC000012432252 558406486 /nfs/dbraw/zinc/40/64/86/558406486.db2.gz ZGQQETLZBJLLTI-KRWDZBQOSA-N 2 2 400.523 2.638 50 0 HFAALP CC(C)CCCN1CC[C@@H]([NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CCC1=O ZINC000023153634 558539442 /nfs/dbraw/zinc/53/94/42/558539442.db2.gz YTOKBLMCYDZWMU-FQEVSTJZSA-N 2 2 406.615 2.610 50 0 HFAALP O=c1c(C[NH2+]CCn2cc[nH+]c2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000015068952 558711435 /nfs/dbraw/zinc/71/14/35/558711435.db2.gz QSKBWDSXJCOIFU-UHFFFAOYSA-N 2 2 420.444 2.904 50 0 HFAALP COc1cc(C[NH2+]CCCC2CCCC2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015074413 558714990 /nfs/dbraw/zinc/71/49/90/558714990.db2.gz MZIBCCLAUASFSY-NRFANRHFSA-N 2 2 406.567 2.827 50 0 HFAALP COc1cc(C[N@@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc(OC)c1 ZINC000055060582 558871091 /nfs/dbraw/zinc/87/10/91/558871091.db2.gz JAUDVFAZECKTPP-HSZRJFAPSA-N 2 2 400.519 2.868 50 0 HFAALP COc1cc(C[N@H+]2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)cc(OC)c1 ZINC000055060582 558871093 /nfs/dbraw/zinc/87/10/93/558871093.db2.gz JAUDVFAZECKTPP-HSZRJFAPSA-N 2 2 400.519 2.868 50 0 HFAALP O[C@@]1(CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000072420943 558978298 /nfs/dbraw/zinc/97/82/98/558978298.db2.gz BCNVOTPVYCSVGT-QHCPKHFHSA-N 2 2 401.501 2.786 50 0 HFAALP O[C@@]1(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)CCC[NH2+]C1 ZINC000072420943 558978300 /nfs/dbraw/zinc/97/83/00/558978300.db2.gz BCNVOTPVYCSVGT-QHCPKHFHSA-N 2 2 401.501 2.786 50 0 HFAALP CCCO[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1 ZINC000067641451 558990608 /nfs/dbraw/zinc/99/06/08/558990608.db2.gz GYKLAAPOWFEVIM-QGZVFWFLSA-N 2 2 419.595 2.565 50 0 HFAALP CCCO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1 ZINC000067641451 558990610 /nfs/dbraw/zinc/99/06/10/558990610.db2.gz GYKLAAPOWFEVIM-QGZVFWFLSA-N 2 2 419.595 2.565 50 0 HFAALP CCCO[C@@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)C1 ZINC000067641451 558990612 /nfs/dbraw/zinc/99/06/12/558990612.db2.gz GYKLAAPOWFEVIM-QGZVFWFLSA-N 2 2 419.595 2.565 50 0 HFAALP CCCO[C@@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1 ZINC000067641451 558990614 /nfs/dbraw/zinc/99/06/14/558990614.db2.gz GYKLAAPOWFEVIM-QGZVFWFLSA-N 2 2 419.595 2.565 50 0 HFAALP O=C(NCCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099629 559038118 /nfs/dbraw/zinc/03/81/18/559038118.db2.gz GUDKWFVPXYOQEX-QFIPXVFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082099629 559038119 /nfs/dbraw/zinc/03/81/19/559038119.db2.gz GUDKWFVPXYOQEX-QFIPXVFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1ccncc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120883 559039342 /nfs/dbraw/zinc/03/93/42/559039342.db2.gz IWMJRODDZLNLPM-JOCHJYFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1ccncc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120883 559039343 /nfs/dbraw/zinc/03/93/43/559039343.db2.gz IWMJRODDZLNLPM-JOCHJYFZSA-N 2 2 407.562 2.512 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082137456 559040424 /nfs/dbraw/zinc/04/04/24/559040424.db2.gz UJWYIGXFPWSAPO-FQEVSTJZSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082137456 559040425 /nfs/dbraw/zinc/04/04/25/559040425.db2.gz UJWYIGXFPWSAPO-FQEVSTJZSA-N 2 2 411.550 2.713 50 0 HFAALP CN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082148017 559040979 /nfs/dbraw/zinc/04/09/79/559040979.db2.gz MASFZVNZPPYGNH-JOCHJYFZSA-N 2 2 407.562 2.812 50 0 HFAALP CN(Cc1cccnc1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082148017 559040981 /nfs/dbraw/zinc/04/09/81/559040981.db2.gz MASFZVNZPPYGNH-JOCHJYFZSA-N 2 2 407.562 2.812 50 0 HFAALP COC(=O)c1ccccc1NC(=O)C1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000070637891 571270682 /nfs/dbraw/zinc/27/06/82/571270682.db2.gz PPLULPMRDRQTKU-UHFFFAOYSA-N 2 2 420.473 2.612 50 0 HFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccccc2OC)c1=[NH2+] ZINC000001235472 557250257 /nfs/dbraw/zinc/25/02/57/557250257.db2.gz QBTLXKVNYXGYLM-GOSISDBHSA-N 2 2 412.534 2.713 50 0 HFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4ccncc4)CC3)CC2)n1 ZINC000011937865 558301255 /nfs/dbraw/zinc/30/12/55/558301255.db2.gz MFXLFYYQPPKMFJ-UHFFFAOYSA-N 2 2 421.589 2.820 50 0 HFAALP OCC[C@@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1cccs1 ZINC000020204679 558346614 /nfs/dbraw/zinc/34/66/14/558346614.db2.gz YUVWROUGOGHZCQ-OAQYLSRUSA-N 2 2 400.592 2.676 50 0 HFAALP OCC[C@@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1cccs1 ZINC000020204679 558346616 /nfs/dbraw/zinc/34/66/16/558346616.db2.gz YUVWROUGOGHZCQ-OAQYLSRUSA-N 2 2 400.592 2.676 50 0 HFAALP Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c1 ZINC000021795763 558449689 /nfs/dbraw/zinc/44/96/89/558449689.db2.gz GWMFZTATVCVBFI-UHFFFAOYSA-N 2 2 423.565 2.508 50 0 HFAALP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000023372968 558553243 /nfs/dbraw/zinc/55/32/43/558553243.db2.gz CXVRHAKDMOCXMR-HXUWFJFHSA-N 2 2 403.954 2.617 50 0 HFAALP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)CC1 ZINC000023372968 558553246 /nfs/dbraw/zinc/55/32/46/558553246.db2.gz CXVRHAKDMOCXMR-HXUWFJFHSA-N 2 2 403.954 2.617 50 0 HFAALP CN1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1 ZINC000023374915 558554578 /nfs/dbraw/zinc/55/45/78/558554578.db2.gz SFERWGNCWISTDO-NRFANRHFSA-N 2 2 403.954 2.617 50 0 HFAALP CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000027347535 558672216 /nfs/dbraw/zinc/67/22/16/558672216.db2.gz BTEUBAJIMADFMM-QFIPXVFZSA-N 2 2 423.561 2.554 50 0 HFAALP CC[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000027347535 558672218 /nfs/dbraw/zinc/67/22/18/558672218.db2.gz BTEUBAJIMADFMM-QFIPXVFZSA-N 2 2 423.561 2.554 50 0 HFAALP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004670023 558880691 /nfs/dbraw/zinc/88/06/91/558880691.db2.gz SRVJADBFRDIZBM-UGKGYDQZSA-N 2 2 423.561 2.784 50 0 HFAALP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004670023 558880694 /nfs/dbraw/zinc/88/06/94/558880694.db2.gz SRVJADBFRDIZBM-UGKGYDQZSA-N 2 2 423.561 2.784 50 0 HFAALP CCCC[N@H+](C)CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004669987 558880707 /nfs/dbraw/zinc/88/07/07/558880707.db2.gz CJPRVDZPRWFAAH-OAQYLSRUSA-N 2 2 411.550 2.642 50 0 HFAALP CCCC[N@@H+](C)CCCNC(=O)C[C@H](C(=O)N1CCc2ccccc21)n1cc[nH+]c1 ZINC000004669987 558880709 /nfs/dbraw/zinc/88/07/09/558880709.db2.gz CJPRVDZPRWFAAH-OAQYLSRUSA-N 2 2 411.550 2.642 50 0 HFAALP Cc1[nH+]cn(-c2cc(N3CCN(C(=O)c4c(F)cccc4F)CC3)[nH+]c(C)n2)c1C ZINC000072437945 558981251 /nfs/dbraw/zinc/98/12/51/558981251.db2.gz UGKMKMOBEGJGOE-UHFFFAOYSA-N 2 2 412.444 2.828 50 0 HFAALP COCC1(NC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CCCC1 ZINC000082096711 559037280 /nfs/dbraw/zinc/03/72/80/559037280.db2.gz XBIKDXICJMCTDO-OAQYLSRUSA-N 2 2 414.594 2.833 50 0 HFAALP COCC1(NC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)CCCC1 ZINC000082096711 559037283 /nfs/dbraw/zinc/03/72/83/559037283.db2.gz XBIKDXICJMCTDO-OAQYLSRUSA-N 2 2 414.594 2.833 50 0 HFAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082098214 559037977 /nfs/dbraw/zinc/03/79/77/559037977.db2.gz JDLVIEDJQXSVRR-OAQYLSRUSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082098214 559037979 /nfs/dbraw/zinc/03/79/79/559037979.db2.gz JDLVIEDJQXSVRR-OAQYLSRUSA-N 2 2 408.546 2.780 50 0 HFAALP CCc1cc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC000082135184 559040063 /nfs/dbraw/zinc/04/00/63/559040063.db2.gz WIYKBELHUPQVEV-LJQANCHMSA-N 2 2 422.577 2.740 50 0 HFAALP CCc1cc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)nc(C)[nH+]1 ZINC000082135184 559040064 /nfs/dbraw/zinc/04/00/64/559040064.db2.gz WIYKBELHUPQVEV-LJQANCHMSA-N 2 2 422.577 2.740 50 0 HFAALP CC[N@@H+]1CC[C@@H](CNC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426490365 559271841 /nfs/dbraw/zinc/27/18/41/559271841.db2.gz BCYBUJJJSDNDHQ-INIZCTEOSA-N 2 2 402.564 2.983 50 0 HFAALP CC[N@H+]1CC[C@@H](CNC(=O)c2csc3c2CC[NH+](Cc2c(C)noc2C)C3)C1 ZINC000426490365 559271843 /nfs/dbraw/zinc/27/18/43/559271843.db2.gz BCYBUJJJSDNDHQ-INIZCTEOSA-N 2 2 402.564 2.983 50 0 HFAALP CC[NH+]1CC[C@@H](CNC(=O)c2csc3c2CC[N@H+](Cc2c(C)noc2C)C3)C1 ZINC000426490365 559271844 /nfs/dbraw/zinc/27/18/44/559271844.db2.gz BCYBUJJJSDNDHQ-INIZCTEOSA-N 2 2 402.564 2.983 50 0 HFAALP CC[NH+]1CC[C@@H](CNC(=O)c2csc3c2CC[N@@H+](Cc2c(C)noc2C)C3)C1 ZINC000426490365 559271846 /nfs/dbraw/zinc/27/18/46/559271846.db2.gz BCYBUJJJSDNDHQ-INIZCTEOSA-N 2 2 402.564 2.983 50 0 HFAALP C[NH+]1CCN([C@H](C[NH2+]Cc2csc(-c3ncccn3)n2)c2cccs2)CC1 ZINC000058208450 568899922 /nfs/dbraw/zinc/89/99/22/568899922.db2.gz MOHQGDXVYGLQBX-MRXNPFEDSA-N 2 2 400.577 2.740 50 0 HFAALP Cc1nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000036340165 569141525 /nfs/dbraw/zinc/14/15/25/569141525.db2.gz LSKJEFYTMHLPQA-OAQYLSRUSA-N 2 2 416.541 2.731 50 0 HFAALP CCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCCC3)CC2)nc[nH+]1 ZINC000065274267 569215156 /nfs/dbraw/zinc/21/51/56/569215156.db2.gz YGEDAMXMIGBFSC-UHFFFAOYSA-N 2 2 402.587 2.897 50 0 HFAALP CCNc1cc(N2CCC(CCC(=O)NCC[NH+]3CCCCCC3)CC2)[nH+]cn1 ZINC000065274267 569215157 /nfs/dbraw/zinc/21/51/57/569215157.db2.gz YGEDAMXMIGBFSC-UHFFFAOYSA-N 2 2 402.587 2.897 50 0 HFAALP Cc1oc2c(c1C(=O)NCCC[NH+]1CCOCC1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000065289731 569218017 /nfs/dbraw/zinc/21/80/17/569218017.db2.gz OGZNTOGRXNMZIH-UHFFFAOYSA-N 2 2 415.509 2.738 50 0 HFAALP Cc1oc2c(c1C(=O)NCCC[NH+]1CCOCC1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000065289731 569218019 /nfs/dbraw/zinc/21/80/19/569218019.db2.gz OGZNTOGRXNMZIH-UHFFFAOYSA-N 2 2 415.509 2.738 50 0 HFAALP Cc1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCCC4)c3C2)cc1 ZINC000034755406 557457871 /nfs/dbraw/zinc/45/78/71/557457871.db2.gz DKKPDIQLDPWKMH-UHFFFAOYSA-N 2 2 406.578 2.695 50 0 HFAALP Cc1ccc(C[N@H+]2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCCC4)c3C2)cc1 ZINC000034755406 557457874 /nfs/dbraw/zinc/45/78/74/557457874.db2.gz DKKPDIQLDPWKMH-UHFFFAOYSA-N 2 2 406.578 2.695 50 0 HFAALP CCOC(=O)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012028647 558310642 /nfs/dbraw/zinc/31/06/42/558310642.db2.gz DXFGDTWKEHZSBL-FQEVSTJZSA-N 2 2 422.566 2.694 50 0 HFAALP CCOC(=O)C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012028647 558310644 /nfs/dbraw/zinc/31/06/44/558310644.db2.gz DXFGDTWKEHZSBL-FQEVSTJZSA-N 2 2 422.566 2.694 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012028647 558310646 /nfs/dbraw/zinc/31/06/46/558310646.db2.gz DXFGDTWKEHZSBL-FQEVSTJZSA-N 2 2 422.566 2.694 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012028647 558310647 /nfs/dbraw/zinc/31/06/47/558310647.db2.gz DXFGDTWKEHZSBL-FQEVSTJZSA-N 2 2 422.566 2.694 50 0 HFAALP Cc1cnc(CNC(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)cn1 ZINC000020449635 558364766 /nfs/dbraw/zinc/36/47/66/558364766.db2.gz LCKBOZJZNSRWDB-UHFFFAOYSA-N 2 2 423.561 2.652 50 0 HFAALP CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4c[nH+]c5cc(C)c(C)cc54)n[nH]3)C2)C1 ZINC000012315692 558379142 /nfs/dbraw/zinc/37/91/42/558379142.db2.gz WFCULNPDRLJCIF-HSZRJFAPSA-N 2 2 406.534 2.982 50 0 HFAALP CC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cn4c[nH+]c5cc(C)c(C)cc54)n[nH]3)C2)C1 ZINC000012315692 558379144 /nfs/dbraw/zinc/37/91/44/558379144.db2.gz WFCULNPDRLJCIF-HSZRJFAPSA-N 2 2 406.534 2.982 50 0 HFAALP c1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C4CCSCC4)C3)CC2)cc2c1OCO2 ZINC000020999044 558427774 /nfs/dbraw/zinc/42/77/74/558427774.db2.gz IPQZMGVWRDIQOH-HXUWFJFHSA-N 2 2 403.592 2.893 50 0 HFAALP c1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C4CCSCC4)C3)CC2)cc2c1OCO2 ZINC000020999044 558427776 /nfs/dbraw/zinc/42/77/76/558427776.db2.gz IPQZMGVWRDIQOH-HXUWFJFHSA-N 2 2 403.592 2.893 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479546 558902389 /nfs/dbraw/zinc/90/23/89/558902389.db2.gz AUDOMFITSXACRV-OAQYLSRUSA-N 3 2 409.578 2.787 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071479546 558902391 /nfs/dbraw/zinc/90/23/91/558902391.db2.gz AUDOMFITSXACRV-OAQYLSRUSA-N 3 2 409.578 2.787 50 0 HFAALP COc1cccc(NC(=O)N2CCN(c3cc(-n4c[nH+]c(C)c4C)nc(C)[nH+]3)CC2)c1 ZINC000072117506 558927596 /nfs/dbraw/zinc/92/75/96/558927596.db2.gz OVAYONZUMLGJHC-UHFFFAOYSA-N 2 2 421.505 2.950 50 0 HFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]cn1 ZINC000067604659 558988588 /nfs/dbraw/zinc/98/85/88/558988588.db2.gz SWIGCNDWAQSICG-UHFFFAOYSA-N 2 2 400.845 2.726 50 0 HFAALP Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091609 559037028 /nfs/dbraw/zinc/03/70/28/559037028.db2.gz YLLSXQFATPTLSK-HXUWFJFHSA-N 2 2 411.550 2.679 50 0 HFAALP Cc1noc(C)c1CNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091609 559037030 /nfs/dbraw/zinc/03/70/30/559037030.db2.gz YLLSXQFATPTLSK-HXUWFJFHSA-N 2 2 411.550 2.679 50 0 HFAALP O=C(NCc1ccc(O)cc1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108061 559038683 /nfs/dbraw/zinc/03/86/83/559038683.db2.gz LXFBMVCUJXLONU-OAQYLSRUSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCc1ccc(O)cc1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082108061 559038685 /nfs/dbraw/zinc/03/86/85/559038685.db2.gz LXFBMVCUJXLONU-OAQYLSRUSA-N 2 2 408.546 2.780 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082114818 559039116 /nfs/dbraw/zinc/03/91/16/559039116.db2.gz XUPVFLWGVRHJRH-OAQYLSRUSA-N 2 2 407.562 2.812 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082114818 559039117 /nfs/dbraw/zinc/03/91/17/559039117.db2.gz XUPVFLWGVRHJRH-OAQYLSRUSA-N 2 2 407.562 2.812 50 0 HFAALP Cc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512684 559084252 /nfs/dbraw/zinc/08/42/52/559084252.db2.gz PVEMXEDYAGBFPM-JOCHJYFZSA-N 2 2 408.546 2.901 50 0 HFAALP Cc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000095512684 559084253 /nfs/dbraw/zinc/08/42/53/559084253.db2.gz PVEMXEDYAGBFPM-JOCHJYFZSA-N 2 2 408.546 2.901 50 0 HFAALP O=c1occ(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(O)c1C[NH+]1CCCC1 ZINC000101409607 560794360 /nfs/dbraw/zinc/79/43/60/560794360.db2.gz OUVXZKSCMNOGAT-UHFFFAOYSA-N 2 2 403.910 2.917 50 0 HFAALP C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095455888 568617332 /nfs/dbraw/zinc/61/73/32/568617332.db2.gz ZXZFNCDKTBRMMN-GOSISDBHSA-N 2 2 424.545 2.797 50 0 HFAALP C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095455888 568617335 /nfs/dbraw/zinc/61/73/35/568617335.db2.gz ZXZFNCDKTBRMMN-GOSISDBHSA-N 2 2 424.545 2.797 50 0 HFAALP C[NH+]1CCN(c2nc(N3CCCC3)nc3c2C[N@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096281814 568718985 /nfs/dbraw/zinc/71/89/85/568718985.db2.gz RDBJOHGWGKIDID-UHFFFAOYSA-N 2 2 410.541 2.526 50 0 HFAALP C[NH+]1CCN(c2nc(N3CCCC3)nc3c2C[N@@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096281814 568718988 /nfs/dbraw/zinc/71/89/88/568718988.db2.gz RDBJOHGWGKIDID-UHFFFAOYSA-N 2 2 410.541 2.526 50 0 HFAALP O=C1CO[C@@H](CNc2ccc3ccccc3[nH+]2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299764938 568873497 /nfs/dbraw/zinc/87/34/97/568873497.db2.gz XGRGRDOWPWRONS-NRFANRHFSA-N 2 2 408.546 2.996 50 0 HFAALP O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCC[NH+]1CCCCC1 ZINC000065245360 569205074 /nfs/dbraw/zinc/20/50/74/569205074.db2.gz WYZHWQGJHWCBEV-GOSISDBHSA-N 2 2 400.571 2.650 50 0 HFAALP O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCC[NH+]1CCCCC1 ZINC000065245360 569205075 /nfs/dbraw/zinc/20/50/75/569205075.db2.gz WYZHWQGJHWCBEV-GOSISDBHSA-N 2 2 400.571 2.650 50 0 HFAALP C[NH+]1CCC([NH+]2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)CC1 ZINC000065258300 569210227 /nfs/dbraw/zinc/21/02/27/569210227.db2.gz LUUVTHJXRMXAJY-UHFFFAOYSA-N 2 2 419.533 2.773 50 0 HFAALP O=C(C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044443546 526305676 /nfs/dbraw/zinc/30/56/76/526305676.db2.gz MPLXGVIFLHBQIH-UHFFFAOYSA-N 2 2 404.518 2.519 50 0 HFAALP COc1cc(C(=O)N(Cc2[nH+]ccn2C)C(C)C)ccc1OC1CC[NH+](C)CC1 ZINC000012437981 558409747 /nfs/dbraw/zinc/40/97/47/558409747.db2.gz LRUQTQVLGHQIOP-UHFFFAOYSA-N 2 2 400.523 2.953 50 0 HFAALP Cc1nonc1C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012458953 558418442 /nfs/dbraw/zinc/41/84/42/558418442.db2.gz AWVTXLOXKHJSJW-NRFANRHFSA-N 2 2 410.518 2.882 50 0 HFAALP Cc1nonc1C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012458953 558418443 /nfs/dbraw/zinc/41/84/43/558418443.db2.gz AWVTXLOXKHJSJW-NRFANRHFSA-N 2 2 410.518 2.882 50 0 HFAALP Cc1nonc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000012458953 558418447 /nfs/dbraw/zinc/41/84/47/558418447.db2.gz AWVTXLOXKHJSJW-NRFANRHFSA-N 2 2 410.518 2.882 50 0 HFAALP Cc1nonc1C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000012458953 558418449 /nfs/dbraw/zinc/41/84/49/558418449.db2.gz AWVTXLOXKHJSJW-NRFANRHFSA-N 2 2 410.518 2.882 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852924 558517208 /nfs/dbraw/zinc/51/72/08/558517208.db2.gz WKGLPHKYIXGYTP-HSZRJFAPSA-N 2 2 415.553 2.835 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852924 558517210 /nfs/dbraw/zinc/51/72/10/558517210.db2.gz WKGLPHKYIXGYTP-HSZRJFAPSA-N 2 2 415.553 2.835 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852923 558517307 /nfs/dbraw/zinc/51/73/07/558517307.db2.gz WKGLPHKYIXGYTP-QHCPKHFHSA-N 2 2 415.553 2.835 50 0 HFAALP CCN1CC[NH+](C[C@H](O)COc2cccc(C[N@@H+](C)Cc3ccc(F)cc3)c2)CC1 ZINC000022852923 558517311 /nfs/dbraw/zinc/51/73/11/558517311.db2.gz WKGLPHKYIXGYTP-QHCPKHFHSA-N 2 2 415.553 2.835 50 0 HFAALP O=C(N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000023339902 558550581 /nfs/dbraw/zinc/55/05/81/558550581.db2.gz ZEMQRPQQCAOMMH-QFIPXVFZSA-N 2 2 411.590 2.770 50 0 HFAALP O=C(N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C1([NH+]2CCOCC2)CCCCC1 ZINC000023339902 558550584 /nfs/dbraw/zinc/55/05/84/558550584.db2.gz ZEMQRPQQCAOMMH-QFIPXVFZSA-N 2 2 411.590 2.770 50 0 HFAALP CN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)CC1 ZINC000023374913 558554611 /nfs/dbraw/zinc/55/46/11/558554611.db2.gz SFERWGNCWISTDO-OAQYLSRUSA-N 2 2 403.954 2.617 50 0 HFAALP COc1cccc(C[N@H+](C)Cc2ccc(F)cc2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015066234 558709199 /nfs/dbraw/zinc/70/91/99/558709199.db2.gz HHNAXXYZPMNQQV-NRFANRHFSA-N 2 2 418.509 2.538 50 0 HFAALP COc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015066234 558709203 /nfs/dbraw/zinc/70/92/03/558709203.db2.gz HHNAXXYZPMNQQV-NRFANRHFSA-N 2 2 418.509 2.538 50 0 HFAALP COc1ccc(C[N@H+](Cc2nccn2C)C(C)C)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015073384 558714253 /nfs/dbraw/zinc/71/42/53/558714253.db2.gz VWSGTIBIQQWDPL-HXUWFJFHSA-N 2 2 418.582 2.919 50 0 HFAALP COc1ccc(C[N@@H+](Cc2nccn2C)C(C)C)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015073384 558714255 /nfs/dbraw/zinc/71/42/55/558714255.db2.gz VWSGTIBIQQWDPL-HXUWFJFHSA-N 2 2 418.582 2.919 50 0 HFAALP COc1ccc(C[NH+](Cc2nccn2C)C(C)C)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015073384 558714257 /nfs/dbraw/zinc/71/42/57/558714257.db2.gz VWSGTIBIQQWDPL-HXUWFJFHSA-N 2 2 418.582 2.919 50 0 HFAALP COc1ccc(C[NH+](Cc2nccn2C)C(C)C)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015073384 558714259 /nfs/dbraw/zinc/71/42/59/558714259.db2.gz VWSGTIBIQQWDPL-HXUWFJFHSA-N 2 2 418.582 2.919 50 0 HFAALP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000029695408 558718899 /nfs/dbraw/zinc/71/88/99/558718899.db2.gz XXAIABKDWYDYHF-FXAWDEMLSA-N 2 2 421.969 2.868 50 0 HFAALP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000029695408 558718901 /nfs/dbraw/zinc/71/89/01/558718901.db2.gz XXAIABKDWYDYHF-FXAWDEMLSA-N 2 2 421.969 2.868 50 0 HFAALP CCOc1cc(C[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)ccc1O ZINC000055089877 558872025 /nfs/dbraw/zinc/87/20/25/558872025.db2.gz ISQQZJVENLPVES-UHFFFAOYSA-N 2 2 401.551 2.746 50 0 HFAALP CCCO[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1 ZINC000067641453 558990656 /nfs/dbraw/zinc/99/06/56/558990656.db2.gz GYKLAAPOWFEVIM-KRWDZBQOSA-N 2 2 419.595 2.565 50 0 HFAALP CCCO[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCC[NH+](C)CC3)nc3sccn23)C1 ZINC000067641453 558990657 /nfs/dbraw/zinc/99/06/57/558990657.db2.gz GYKLAAPOWFEVIM-KRWDZBQOSA-N 2 2 419.595 2.565 50 0 HFAALP CCCO[C@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@H+](C)CC3)nc3sccn23)C1 ZINC000067641453 558990658 /nfs/dbraw/zinc/99/06/58/558990658.db2.gz GYKLAAPOWFEVIM-KRWDZBQOSA-N 2 2 419.595 2.565 50 0 HFAALP CCCO[C@H]1CCC[NH+](Cc2c(C(=O)N3CCC[N@@H+](C)CC3)nc3sccn23)C1 ZINC000067641453 558990659 /nfs/dbraw/zinc/99/06/59/558990659.db2.gz GYKLAAPOWFEVIM-KRWDZBQOSA-N 2 2 419.595 2.565 50 0 HFAALP Cc1csc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082091184 559036878 /nfs/dbraw/zinc/03/68/78/559036878.db2.gz TZKGDAFHUHWEIM-LJQANCHMSA-N 2 2 413.591 2.839 50 0 HFAALP Cc1csc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)n1 ZINC000082091184 559036880 /nfs/dbraw/zinc/03/68/80/559036880.db2.gz TZKGDAFHUHWEIM-LJQANCHMSA-N 2 2 413.591 2.839 50 0 HFAALP C[C@@H]1C[NH2+]CCN1C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082138455 559040437 /nfs/dbraw/zinc/04/04/37/559040437.db2.gz IHBAGSDSMDGQAK-OAQYLSRUSA-N 3 2 412.622 2.616 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138579 559040679 /nfs/dbraw/zinc/04/06/79/559040679.db2.gz NBAZEBQTIGAXEM-FQEVSTJZSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138579 559040680 /nfs/dbraw/zinc/04/06/80/559040680.db2.gz NBAZEBQTIGAXEM-FQEVSTJZSA-N 2 2 407.562 2.778 50 0 HFAALP COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095521306 559085298 /nfs/dbraw/zinc/08/52/98/559085298.db2.gz ZHWDVAOWGFDRBR-HXUWFJFHSA-N 2 2 402.539 2.666 50 0 HFAALP COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095521306 559085300 /nfs/dbraw/zinc/08/53/00/559085300.db2.gz ZHWDVAOWGFDRBR-HXUWFJFHSA-N 2 2 402.539 2.666 50 0 HFAALP C[NH+]1CCN(C2=Nc3ccccc3C(N3CC[NH+](C)CC3)=Nc3ccccc32)CC1 ZINC000101358517 559146597 /nfs/dbraw/zinc/14/65/97/559146597.db2.gz IUCKHGCXVQEKKL-UHFFFAOYSA-N 2 2 402.546 2.651 50 0 HFAALP COc1ccccc1OC[C@@H](O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=[NH2+] ZINC000001274410 568910221 /nfs/dbraw/zinc/91/02/21/568910221.db2.gz WBUOOXNMVHIUJT-IBGZPJMESA-N 2 2 424.545 2.857 50 0 HFAALP C[NH+]1CCC(N2CC[N@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]2CCO)CC1 ZINC000104456992 569008672 /nfs/dbraw/zinc/00/86/72/569008672.db2.gz VAZQPDLTSKOCEA-JOCHJYFZSA-N 2 2 401.595 2.971 50 0 HFAALP C[NH+]1CCC(N2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C[C@H]2CCO)CC1 ZINC000104456992 569008673 /nfs/dbraw/zinc/00/86/73/569008673.db2.gz VAZQPDLTSKOCEA-JOCHJYFZSA-N 2 2 401.595 2.971 50 0 HFAALP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868146 569012316 /nfs/dbraw/zinc/01/23/16/569012316.db2.gz WCWKQZNOTWERFQ-MRXNPFEDSA-N 2 2 402.366 2.898 50 0 HFAALP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868146 569012317 /nfs/dbraw/zinc/01/23/17/569012317.db2.gz WCWKQZNOTWERFQ-MRXNPFEDSA-N 2 2 402.366 2.898 50 0 HFAALP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868146 569012318 /nfs/dbraw/zinc/01/23/18/569012318.db2.gz WCWKQZNOTWERFQ-MRXNPFEDSA-N 2 2 402.366 2.898 50 0 HFAALP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868146 569012319 /nfs/dbraw/zinc/01/23/19/569012319.db2.gz WCWKQZNOTWERFQ-MRXNPFEDSA-N 2 2 402.366 2.898 50 0 HFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)csc2C1 ZINC000426428394 569073002 /nfs/dbraw/zinc/07/30/02/569073002.db2.gz SUVRPZHLTUCGRJ-IYBDPMFKSA-N 2 2 400.548 2.545 50 0 HFAALP Cc1noc(C)c1C[NH+]1CCc2c(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)csc2C1 ZINC000426428394 569073003 /nfs/dbraw/zinc/07/30/03/569073003.db2.gz SUVRPZHLTUCGRJ-IYBDPMFKSA-N 2 2 400.548 2.545 50 0 HFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3C[C@@H]4C[NH+](C)C[C@@H]4C3)csc2C1 ZINC000426428394 569073004 /nfs/dbraw/zinc/07/30/04/569073004.db2.gz SUVRPZHLTUCGRJ-IYBDPMFKSA-N 2 2 400.548 2.545 50 0 HFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3C[C@@H]4C[NH+](C)C[C@@H]4C3)csc2C1 ZINC000426428394 569073005 /nfs/dbraw/zinc/07/30/05/569073005.db2.gz SUVRPZHLTUCGRJ-IYBDPMFKSA-N 2 2 400.548 2.545 50 0 HFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N3CC[C@@H](C[NH+](C)C)C3)csc2C1 ZINC000426684554 569073905 /nfs/dbraw/zinc/07/39/05/569073905.db2.gz SSFNJOAWAXCPHN-INIZCTEOSA-N 2 2 402.564 2.935 50 0 HFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N3CC[C@@H](C[NH+](C)C)C3)csc2C1 ZINC000426684554 569073906 /nfs/dbraw/zinc/07/39/06/569073906.db2.gz SSFNJOAWAXCPHN-INIZCTEOSA-N 2 2 402.564 2.935 50 0 HFAALP O=C(CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1)NCC[NH+]1CCCCC1 ZINC000065274298 569215044 /nfs/dbraw/zinc/21/50/44/569215044.db2.gz QPKOMRZQHCBWKF-UHFFFAOYSA-N 2 2 400.571 2.650 50 0 HFAALP O=C(CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1)NCC[NH+]1CCCCC1 ZINC000065274298 569215045 /nfs/dbraw/zinc/21/50/45/569215045.db2.gz QPKOMRZQHCBWKF-UHFFFAOYSA-N 2 2 400.571 2.650 50 0 HFAALP COc1ccc(C[N@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000007730439 569303520 /nfs/dbraw/zinc/30/35/20/569303520.db2.gz DPQIMALHCCYDHR-UHFFFAOYSA-N 2 2 411.546 2.916 50 0 HFAALP COc1ccc(C[N@@H+](C)CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000007730439 569303521 /nfs/dbraw/zinc/30/35/21/569303521.db2.gz DPQIMALHCCYDHR-UHFFFAOYSA-N 2 2 411.546 2.916 50 0 HFAALP Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000027384690 569310820 /nfs/dbraw/zinc/31/08/20/569310820.db2.gz COHKVDYQJVCCCV-UHFFFAOYSA-N 2 2 408.546 2.588 50 0 HFAALP COc1ccccc1CCNC(=O)C1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000070637901 571270625 /nfs/dbraw/zinc/27/06/25/571270625.db2.gz TVUNRAFHRUAZCE-UHFFFAOYSA-N 2 2 420.517 2.555 50 0 HFAALP CCn1ccnc1C[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000011819988 558283395 /nfs/dbraw/zinc/28/33/95/558283395.db2.gz TZSNIENNUAIYPV-UHFFFAOYSA-N 2 2 413.566 2.580 50 0 HFAALP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000011882131 558295518 /nfs/dbraw/zinc/29/55/18/558295518.db2.gz VOVWCYVXZCXFMR-APWZRJJASA-N 2 2 420.529 2.773 50 0 HFAALP C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](Sc2ccccn2)C[N@H+]1Cc1ccc(F)c(F)c1 ZINC000011882131 558295520 /nfs/dbraw/zinc/29/55/20/558295520.db2.gz VOVWCYVXZCXFMR-APWZRJJASA-N 2 2 420.529 2.773 50 0 HFAALP CCn1ccnc1C[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](CC)CC)c1 ZINC000011936231 558300167 /nfs/dbraw/zinc/30/01/67/558300167.db2.gz HCEWMVBROFAAJX-LJQANCHMSA-N 2 2 404.555 2.625 50 0 HFAALP CCn1ccnc1C[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](CC)CC)c1 ZINC000011936231 558300168 /nfs/dbraw/zinc/30/01/68/558300168.db2.gz HCEWMVBROFAAJX-LJQANCHMSA-N 2 2 404.555 2.625 50 0 HFAALP CCn1cc[nH+]c1CN(C)Cc1ccc(OC)c(OC[C@H](O)C[NH+](CC)CC)c1 ZINC000011936231 558300171 /nfs/dbraw/zinc/30/01/71/558300171.db2.gz HCEWMVBROFAAJX-LJQANCHMSA-N 2 2 404.555 2.625 50 0 HFAALP C[NH+]1CCC([NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)CC1 ZINC000020110008 558335237 /nfs/dbraw/zinc/33/52/37/558335237.db2.gz KBGBESKGZMDXHX-UHFFFAOYSA-N 2 2 408.546 2.949 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)CC1 ZINC000020778738 558412465 /nfs/dbraw/zinc/41/24/65/558412465.db2.gz NEVJDVLLWJDNGQ-IBGZPJMESA-N 2 2 406.640 2.763 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3nc4c(s3)CCCC4)C[C@@H]2CCO)CC1 ZINC000020778738 558412466 /nfs/dbraw/zinc/41/24/66/558412466.db2.gz NEVJDVLLWJDNGQ-IBGZPJMESA-N 2 2 406.640 2.763 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000023338796 558550288 /nfs/dbraw/zinc/55/02/88/558550288.db2.gz BKGSSXNCXLMFGM-DHIUTWEWSA-N 2 2 421.545 2.590 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000023338796 558550289 /nfs/dbraw/zinc/55/02/89/558550289.db2.gz BKGSSXNCXLMFGM-DHIUTWEWSA-N 2 2 421.545 2.590 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000023338796 558550292 /nfs/dbraw/zinc/55/02/92/558550292.db2.gz BKGSSXNCXLMFGM-DHIUTWEWSA-N 2 2 421.545 2.590 50 0 HFAALP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000023338796 558550294 /nfs/dbraw/zinc/55/02/94/558550294.db2.gz BKGSSXNCXLMFGM-DHIUTWEWSA-N 2 2 421.545 2.590 50 0 HFAALP CCn1ccnc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000023380319 558555226 /nfs/dbraw/zinc/55/52/26/558555226.db2.gz ZLNAJTCCBOMRMZ-FQEVSTJZSA-N 2 2 410.566 2.639 50 0 HFAALP CCn1ccnc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000023380319 558555227 /nfs/dbraw/zinc/55/52/27/558555227.db2.gz ZLNAJTCCBOMRMZ-FQEVSTJZSA-N 2 2 410.566 2.639 50 0 HFAALP C[N@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000014980828 558691412 /nfs/dbraw/zinc/69/14/12/558691412.db2.gz LKIZGDXVPAGZEU-UHFFFAOYSA-N 2 2 405.502 2.707 50 0 HFAALP C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)no1 ZINC000014980828 558691416 /nfs/dbraw/zinc/69/14/16/558691416.db2.gz LKIZGDXVPAGZEU-UHFFFAOYSA-N 2 2 405.502 2.707 50 0 HFAALP C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cn2)CC1 ZINC000058283164 558916452 /nfs/dbraw/zinc/91/64/52/558916452.db2.gz PMRFIXNRRKUFBD-UHFFFAOYSA-N 2 2 419.533 2.790 50 0 HFAALP C[N@H+]1CCCN(c2ccc(CNC(=O)Nc3cccc(Cn4cc[nH+]c4)c3)cn2)CC1 ZINC000058283164 558916453 /nfs/dbraw/zinc/91/64/53/558916453.db2.gz PMRFIXNRRKUFBD-UHFFFAOYSA-N 2 2 419.533 2.790 50 0 HFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)ccn1 ZINC000082083934 559036642 /nfs/dbraw/zinc/03/66/42/559036642.db2.gz JMWSURKHZLAFNV-JOCHJYFZSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)ccn1 ZINC000082083934 559036644 /nfs/dbraw/zinc/03/66/44/559036644.db2.gz JMWSURKHZLAFNV-JOCHJYFZSA-N 2 2 407.562 2.778 50 0 HFAALP CCc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082097863 559037728 /nfs/dbraw/zinc/03/77/28/559037728.db2.gz FKVYKMIAUPZMLZ-IBGZPJMESA-N 2 2 411.550 2.625 50 0 HFAALP CCc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082097863 559037729 /nfs/dbraw/zinc/03/77/29/559037729.db2.gz FKVYKMIAUPZMLZ-IBGZPJMESA-N 2 2 411.550 2.625 50 0 HFAALP O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082098213 559037859 /nfs/dbraw/zinc/03/78/59/559037859.db2.gz JDLVIEDJQXSVRR-NRFANRHFSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082098213 559037861 /nfs/dbraw/zinc/03/78/61/559037861.db2.gz JDLVIEDJQXSVRR-NRFANRHFSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCCc1cccnc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107125 559038319 /nfs/dbraw/zinc/03/83/19/559038319.db2.gz GZDPZTFSEKRJPW-QFIPXVFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1cccnc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082107125 559038321 /nfs/dbraw/zinc/03/83/21/559038321.db2.gz GZDPZTFSEKRJPW-QFIPXVFZSA-N 2 2 407.562 2.512 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082156772 559041396 /nfs/dbraw/zinc/04/13/96/559041396.db2.gz WZWKKWOAWPIJJI-IBGZPJMESA-N 2 2 413.591 2.873 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082156772 559041397 /nfs/dbraw/zinc/04/13/97/559041397.db2.gz WZWKKWOAWPIJJI-IBGZPJMESA-N 2 2 413.591 2.873 50 0 HFAALP COc1cc(C[N@H+](C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095521307 559085349 /nfs/dbraw/zinc/08/53/49/559085349.db2.gz ZHWDVAOWGFDRBR-FQEVSTJZSA-N 2 2 402.539 2.666 50 0 HFAALP COc1cc(C[N@@H+](C)Cc2cc[nH]n2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095521307 559085350 /nfs/dbraw/zinc/08/53/50/559085350.db2.gz ZHWDVAOWGFDRBR-FQEVSTJZSA-N 2 2 402.539 2.666 50 0 HFAALP Cn1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529363 559086644 /nfs/dbraw/zinc/08/66/44/559086644.db2.gz KEXFEVSWSKORJN-SFHVURJKSA-N 2 2 403.958 2.899 50 0 HFAALP Cn1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529363 559086647 /nfs/dbraw/zinc/08/66/47/559086647.db2.gz KEXFEVSWSKORJN-SFHVURJKSA-N 2 2 403.958 2.899 50 0 HFAALP Cn1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529363 559086649 /nfs/dbraw/zinc/08/66/49/559086649.db2.gz KEXFEVSWSKORJN-SFHVURJKSA-N 2 2 403.958 2.899 50 0 HFAALP Cn1ccc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)n1 ZINC000095529363 559086651 /nfs/dbraw/zinc/08/66/51/559086651.db2.gz KEXFEVSWSKORJN-SFHVURJKSA-N 2 2 403.958 2.899 50 0 HFAALP COc1ccc(OC)c(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCn3cc[nH+]c3)CC2)c1 ZINC000299786072 568875596 /nfs/dbraw/zinc/87/55/96/568875596.db2.gz PBFRLLGTWBEBEV-HXUWFJFHSA-N 2 2 412.534 2.709 50 0 HFAALP COc1cccc(C[N@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000008428792 569002466 /nfs/dbraw/zinc/00/24/66/569002466.db2.gz DLORVMGSOIXCIA-LJQANCHMSA-N 2 2 411.546 2.869 50 0 HFAALP COc1cccc(C[N@@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1OC ZINC000008428792 569002468 /nfs/dbraw/zinc/00/24/68/569002468.db2.gz DLORVMGSOIXCIA-LJQANCHMSA-N 2 2 411.546 2.869 50 0 HFAALP COc1ccc(NC(=O)NCCNc2cc(-n3cc[nH+]c3C)nc[nH+]2)cc1Cl ZINC000035598127 569045860 /nfs/dbraw/zinc/04/58/60/569045860.db2.gz GLOFSXFOOBANKE-UHFFFAOYSA-N 2 2 401.858 2.866 50 0 HFAALP COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)NCC[NH+]4CCCCC4)n3C)C2)c1 ZINC000065211020 569196184 /nfs/dbraw/zinc/19/61/84/569196184.db2.gz XOEVUIDFKPQXCV-UHFFFAOYSA-N 2 2 410.562 2.808 50 0 HFAALP COc1cccc(C[N@H+]2CCc3c(cc(C(=O)NCC[NH+]4CCCCC4)n3C)C2)c1 ZINC000065211020 569196185 /nfs/dbraw/zinc/19/61/85/569196185.db2.gz XOEVUIDFKPQXCV-UHFFFAOYSA-N 2 2 410.562 2.808 50 0 HFAALP CCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000065274123 569214819 /nfs/dbraw/zinc/21/48/19/569214819.db2.gz DYSLVMDHMSJDBQ-UHFFFAOYSA-N 2 2 400.571 2.602 50 0 HFAALP CCC[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)CC1 ZINC000065274123 569214821 /nfs/dbraw/zinc/21/48/21/569214821.db2.gz DYSLVMDHMSJDBQ-UHFFFAOYSA-N 2 2 400.571 2.602 50 0 HFAALP O[C@@H](C[NH2+]CCC[NH+]1CCOCC1)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000007238785 569230237 /nfs/dbraw/zinc/23/02/37/569230237.db2.gz ZJBYDOIHURZWJV-QFIPXVFZSA-N 2 2 420.500 2.744 50 0 HFAALP O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154738 571202060 /nfs/dbraw/zinc/20/20/60/571202060.db2.gz QRNXCNKHGILEFE-HXUWFJFHSA-N 2 2 414.937 2.847 50 0 HFAALP O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154738 571202064 /nfs/dbraw/zinc/20/20/64/571202064.db2.gz QRNXCNKHGILEFE-HXUWFJFHSA-N 2 2 414.937 2.847 50 0 HFAALP COc1ccccc1N1CCC([N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)CC1 ZINC000012449423 132360843 /nfs/dbraw/zinc/36/08/43/132360843.db2.gz KMYQOZZFNQBLRH-ISKFKSNPSA-N 2 2 424.589 2.669 50 0 HFAALP COc1ccccc1N1CCC([N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)CC1 ZINC000012449423 132360844 /nfs/dbraw/zinc/36/08/44/132360844.db2.gz KMYQOZZFNQBLRH-ISKFKSNPSA-N 2 2 424.589 2.669 50 0 HFAALP COc1ccccc1N1CCC([NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)CC1 ZINC000012449423 132360845 /nfs/dbraw/zinc/36/08/45/132360845.db2.gz KMYQOZZFNQBLRH-ISKFKSNPSA-N 2 2 424.589 2.669 50 0 HFAALP COc1ccccc1N1CCC([NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)CC1 ZINC000012449423 132360846 /nfs/dbraw/zinc/36/08/46/132360846.db2.gz KMYQOZZFNQBLRH-ISKFKSNPSA-N 2 2 424.589 2.669 50 0 HFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCc4cccnc4)CC3)CC2)n1 ZINC000011873408 558291258 /nfs/dbraw/zinc/29/12/58/558291258.db2.gz UAUSZZJUKXZIIV-UHFFFAOYSA-N 2 2 421.589 2.820 50 0 HFAALP CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(Cn4c[nH+]c5cc(C)c(C)cc54)n[nH]3)C2)C1 ZINC000012315693 558379116 /nfs/dbraw/zinc/37/91/16/558379116.db2.gz WFCULNPDRLJCIF-QHCPKHFHSA-N 2 2 406.534 2.982 50 0 HFAALP CC[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Cn4c[nH+]c5cc(C)c(C)cc54)n[nH]3)C2)C1 ZINC000012315693 558379118 /nfs/dbraw/zinc/37/91/18/558379118.db2.gz WFCULNPDRLJCIF-QHCPKHFHSA-N 2 2 406.534 2.982 50 0 HFAALP COC(=O)CC[C@H]1C[N@H+](Cc2c(F)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000020776371 558412035 /nfs/dbraw/zinc/41/20/35/558412035.db2.gz FQHQRXFDIJMBFS-OXJNMPFZSA-N 2 2 411.949 2.870 50 0 HFAALP COC(=O)CC[C@H]1C[N@@H+](Cc2c(F)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000020776371 558412037 /nfs/dbraw/zinc/41/20/37/558412037.db2.gz FQHQRXFDIJMBFS-OXJNMPFZSA-N 2 2 411.949 2.870 50 0 HFAALP CCc1ccc([C@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)[NH+](C)C)cc1 ZINC000022798745 558512488 /nfs/dbraw/zinc/51/24/88/558512488.db2.gz BXKLJFVCDJZMLG-UNMCSNQZSA-N 2 2 418.607 2.814 50 0 HFAALP COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(-n3cc[nH+]c3C)nc[nH+]2)CC1 ZINC000067604176 558988419 /nfs/dbraw/zinc/98/84/19/558988419.db2.gz HMKAWZQKOVTBNA-UHFFFAOYSA-N 2 2 412.881 2.595 50 0 HFAALP COC[C@H]1CCN(C(=O)c2cccc(OC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)C1 ZINC000067921633 558994812 /nfs/dbraw/zinc/99/48/12/558994812.db2.gz SPZYGYFPHYQIGR-IBGZPJMESA-N 2 2 415.578 2.733 50 0 HFAALP Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)cs1 ZINC000082120998 559039489 /nfs/dbraw/zinc/03/94/89/559039489.db2.gz NKCHCIGXTGOBHU-LJQANCHMSA-N 2 2 413.591 2.839 50 0 HFAALP Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)cs1 ZINC000082120998 559039491 /nfs/dbraw/zinc/03/94/91/559039491.db2.gz NKCHCIGXTGOBHU-LJQANCHMSA-N 2 2 413.591 2.839 50 0 HFAALP O=c1occ(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c1C[NH+]1CCCC1 ZINC000101407869 560794353 /nfs/dbraw/zinc/79/43/53/560794353.db2.gz NKLNQOVWDOCDKU-UHFFFAOYSA-N 2 2 403.910 2.917 50 0 HFAALP C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000095455889 568617473 /nfs/dbraw/zinc/61/74/73/568617473.db2.gz ZXZFNCDKTBRMMN-SFHVURJKSA-N 2 2 424.545 2.797 50 0 HFAALP C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000095455889 568617475 /nfs/dbraw/zinc/61/74/75/568617475.db2.gz ZXZFNCDKTBRMMN-SFHVURJKSA-N 2 2 424.545 2.797 50 0 HFAALP Cc1ccccc1N1CC[NH+]([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025411642 568767269 /nfs/dbraw/zinc/76/72/69/568767269.db2.gz YHVYNCJCNPLLJM-QFIPXVFZSA-N 2 2 406.574 2.850 50 0 HFAALP CCOc1ccc(C[N@@H+]2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)cc1OC ZINC000015779413 569002061 /nfs/dbraw/zinc/00/20/61/569002061.db2.gz GTGINRLMJJQBGK-UHFFFAOYSA-N 2 2 411.550 2.584 50 0 HFAALP CCOc1ccc(C[N@H+]2CCc3nc(N4CC[NH+](CC)CC4)ncc3C2)cc1OC ZINC000015779413 569002062 /nfs/dbraw/zinc/00/20/62/569002062.db2.gz GTGINRLMJJQBGK-UHFFFAOYSA-N 2 2 411.550 2.584 50 0 HFAALP CC[C@@]1(C)C[C@](CCNC(=O)C[NH2+]CCC[NH+](C)C)(c2ccccc2OC)CCO1 ZINC000006759349 569112876 /nfs/dbraw/zinc/11/28/76/569112876.db2.gz GLBQUCGRWDEIQV-BJKOFHAPSA-N 2 2 419.610 2.960 50 0 HFAALP CCC(CC)C(=O)N1CC[NH+]([C@@H](C(=O)NCC[NH+](CC)CC)C2CCCC2)CC1 ZINC000036256341 569120291 /nfs/dbraw/zinc/12/02/91/569120291.db2.gz JVRPXJPYNZKWSF-OAQYLSRUSA-N 2 2 408.631 2.584 50 0 HFAALP CC(C)[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000065274147 569214997 /nfs/dbraw/zinc/21/49/97/569214997.db2.gz PMHPKIDFGGVIEQ-UHFFFAOYSA-N 2 2 400.571 2.600 50 0 HFAALP CC(C)[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)CC1 ZINC000065274147 569214998 /nfs/dbraw/zinc/21/49/98/569214998.db2.gz PMHPKIDFGGVIEQ-UHFFFAOYSA-N 2 2 400.571 2.600 50 0 HFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)COc2ccc(OC)cc2)c1=[NH2+] ZINC000000789761 557081070 /nfs/dbraw/zinc/08/10/70/557081070.db2.gz WXRNCFBNFDNYST-SFHVURJKSA-N 2 2 412.534 2.713 50 0 HFAALP C[NH+](C)CCN(C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691929 557371945 /nfs/dbraw/zinc/37/19/45/557371945.db2.gz VXYOTOZJAQZNIC-QFIPXVFZSA-N 2 2 417.500 2.870 50 0 HFAALP C[NH+](C)CCN(C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691929 557371949 /nfs/dbraw/zinc/37/19/49/557371949.db2.gz VXYOTOZJAQZNIC-QFIPXVFZSA-N 2 2 417.500 2.870 50 0 HFAALP C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)C[N@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000034755412 557457888 /nfs/dbraw/zinc/45/78/88/557457888.db2.gz MUYQLXDSLFGFLV-UHFFFAOYSA-N 2 2 410.541 2.526 50 0 HFAALP C[NH+]1CCN(c2nc3c(c(N4CCCC4)n2)C[N@@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000034755412 557457891 /nfs/dbraw/zinc/45/78/91/557457891.db2.gz MUYQLXDSLFGFLV-UHFFFAOYSA-N 2 2 410.541 2.526 50 0 HFAALP CCOc1ccccc1C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000011712965 558271447 /nfs/dbraw/zinc/27/14/47/558271447.db2.gz VOJNEAZHIKTFCA-UHFFFAOYSA-N 2 2 415.578 2.621 50 0 HFAALP CCOc1ccc(N2C(=O)C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019889610 558302469 /nfs/dbraw/zinc/30/24/69/558302469.db2.gz MXDUXOYMQRHQOL-QFIPXVFZSA-N 2 2 407.514 2.971 50 0 HFAALP C[C@@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020432367 558362907 /nfs/dbraw/zinc/36/29/07/558362907.db2.gz WEBKZHJPVWUTOP-QFIPXVFZSA-N 2 2 406.574 2.537 50 0 HFAALP CCn1ccnc1C[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000012297558 558367568 /nfs/dbraw/zinc/36/75/68/558367568.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 2 2 404.555 2.624 50 0 HFAALP CCn1ccnc1C[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000012297558 558367570 /nfs/dbraw/zinc/36/75/70/558367570.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 2 2 404.555 2.624 50 0 HFAALP CCn1ccnc1C[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000012297558 558367571 /nfs/dbraw/zinc/36/75/71/558367571.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 2 2 404.555 2.624 50 0 HFAALP CCn1ccnc1C[NH+](C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012297558 558367572 /nfs/dbraw/zinc/36/75/72/558367572.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 2 2 404.555 2.624 50 0 HFAALP CCn1cc[nH+]c1CN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000012297558 558367573 /nfs/dbraw/zinc/36/75/73/558367573.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 2 2 404.555 2.624 50 0 HFAALP CCn1cc[nH+]c1CN(C)Cc1ccc(OC)c(OC[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000012297558 558367575 /nfs/dbraw/zinc/36/75/75/558367575.db2.gz HGZILRLLKXSKBF-IBGZPJMESA-N 2 2 404.555 2.624 50 0 HFAALP Cc1ncc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)s1 ZINC000012434944 558408609 /nfs/dbraw/zinc/40/86/09/558408609.db2.gz FHGHEHWYINTAKQ-UHFFFAOYSA-N 2 2 413.591 2.839 50 0 HFAALP O=C(C[N@@H+]1CCOc2ccccc2C1)N[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012594459 558437087 /nfs/dbraw/zinc/43/70/87/558437087.db2.gz LYVXVNSNJQHPLD-JOCHJYFZSA-N 2 2 405.542 2.629 50 0 HFAALP O=C(C[N@H+]1CCOc2ccccc2C1)N[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012594459 558437090 /nfs/dbraw/zinc/43/70/90/558437090.db2.gz LYVXVNSNJQHPLD-JOCHJYFZSA-N 2 2 405.542 2.629 50 0 HFAALP O=C(C[NH+]1CCOc2ccccc2C1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012594459 558437093 /nfs/dbraw/zinc/43/70/93/558437093.db2.gz LYVXVNSNJQHPLD-JOCHJYFZSA-N 2 2 405.542 2.629 50 0 HFAALP O=C(C[NH+]1CCOc2ccccc2C1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012594459 558437096 /nfs/dbraw/zinc/43/70/96/558437096.db2.gz LYVXVNSNJQHPLD-JOCHJYFZSA-N 2 2 405.542 2.629 50 0 HFAALP Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000024572802 558601483 /nfs/dbraw/zinc/60/14/83/558601483.db2.gz LCZVNBCDEHIDSC-UHFFFAOYSA-N 2 2 407.518 2.676 50 0 HFAALP Cc1[nH+]ccn1-c1cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)[nH+]cn1 ZINC000067622897 558990070 /nfs/dbraw/zinc/99/00/70/558990070.db2.gz KCCPETXVTOIQBB-UHFFFAOYSA-N 2 2 416.407 2.952 50 0 HFAALP COc1ccccc1N1CCN(c2ncccc2C[NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000067954367 558994890 /nfs/dbraw/zinc/99/48/90/558994890.db2.gz BPPKJCWZFARRBM-IBGZPJMESA-N 2 2 406.534 2.792 50 0 HFAALP Cc1cc(N2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1 ZINC000082091881 559037122 /nfs/dbraw/zinc/03/71/22/559037122.db2.gz LGEJYMQKXMLQCV-NRFANRHFSA-N 2 2 407.562 2.825 50 0 HFAALP Cc1cc(N2CCC([N@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)nc[nH+]1 ZINC000082091881 559037124 /nfs/dbraw/zinc/03/71/24/559037124.db2.gz LGEJYMQKXMLQCV-NRFANRHFSA-N 2 2 407.562 2.825 50 0 HFAALP O=C(NCCc1nccs1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082093046 559037342 /nfs/dbraw/zinc/03/73/42/559037342.db2.gz MKCZFCDSNKWPPZ-LJQANCHMSA-N 2 2 413.591 2.573 50 0 HFAALP O=C(NCCc1nccs1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082093046 559037343 /nfs/dbraw/zinc/03/73/43/559037343.db2.gz MKCZFCDSNKWPPZ-LJQANCHMSA-N 2 2 413.591 2.573 50 0 HFAALP Cc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cs1 ZINC000082108033 559038678 /nfs/dbraw/zinc/03/86/78/559038678.db2.gz XSRBMNHRWACLKC-IBGZPJMESA-N 2 2 413.591 2.839 50 0 HFAALP Cc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)cs1 ZINC000082108033 559038679 /nfs/dbraw/zinc/03/86/79/559038679.db2.gz XSRBMNHRWACLKC-IBGZPJMESA-N 2 2 413.591 2.839 50 0 HFAALP COc1ccccc1[C@H]1NC2=[NH+]CN(CCC[NH+](C)C)CN2c2nc3ccccc3n21 ZINC000012321702 568471049 /nfs/dbraw/zinc/47/10/49/568471049.db2.gz LYACIJVQYFYOMZ-NRFANRHFSA-N 2 2 419.533 2.540 50 0 HFAALP CCN1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]CC3CCCCC3)cc2OC)CC1 ZINC000020534714 568630116 /nfs/dbraw/zinc/63/01/16/568630116.db2.gz ODUSGNMCSBLVAX-JOCHJYFZSA-N 2 2 419.610 2.742 50 0 HFAALP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000225352434 568631081 /nfs/dbraw/zinc/63/10/81/568631081.db2.gz DXRXGRWYXJHXMC-QPPBQGQZSA-N 2 2 422.573 2.698 50 0 HFAALP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)Nc1ccc(N2CCCC2)cc1 ZINC000225352434 568631082 /nfs/dbraw/zinc/63/10/82/568631082.db2.gz DXRXGRWYXJHXMC-QPPBQGQZSA-N 2 2 422.573 2.698 50 0 HFAALP Cc1ccccc1N1CC[NH+]([C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000025411637 568767246 /nfs/dbraw/zinc/76/72/46/568767246.db2.gz YHVYNCJCNPLLJM-JOCHJYFZSA-N 2 2 406.574 2.850 50 0 HFAALP C[NH+](C)CCN(C[C@@H]1C[N@H+](Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691931 557372553 /nfs/dbraw/zinc/37/25/53/557372553.db2.gz RNEYKVNDBJWUST-IBGZPJMESA-N 2 2 405.539 2.792 50 0 HFAALP C[NH+](C)CCN(C[C@@H]1C[N@@H+](Cc2cccs2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691931 557372557 /nfs/dbraw/zinc/37/25/57/557372557.db2.gz RNEYKVNDBJWUST-IBGZPJMESA-N 2 2 405.539 2.792 50 0 HFAALP Cn1ccnc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011819036 558282212 /nfs/dbraw/zinc/28/22/12/558282212.db2.gz QSRUYXNVLBQWPR-QFIPXVFZSA-N 2 2 409.578 2.757 50 0 HFAALP Cn1ccnc1C[N@H+]1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011819036 558282214 /nfs/dbraw/zinc/28/22/14/558282214.db2.gz QSRUYXNVLBQWPR-QFIPXVFZSA-N 2 2 409.578 2.757 50 0 HFAALP Cc1c[nH]c(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH+]1 ZINC000015080411 558718743 /nfs/dbraw/zinc/71/87/43/558718743.db2.gz SMNAXMLCXGSDKS-OAQYLSRUSA-N 3 2 409.578 2.753 50 0 HFAALP Cc1c[nH]c(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH+]1 ZINC000015080411 558718746 /nfs/dbraw/zinc/71/87/46/558718746.db2.gz SMNAXMLCXGSDKS-OAQYLSRUSA-N 3 2 409.578 2.753 50 0 HFAALP Cc1ccnc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082115650 559039030 /nfs/dbraw/zinc/03/90/30/559039030.db2.gz BJCHRWJJOQHTCV-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1ccnc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000082115650 559039031 /nfs/dbraw/zinc/03/90/31/559039031.db2.gz BJCHRWJJOQHTCV-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)CC[NH2+]1 ZINC000082161734 559041770 /nfs/dbraw/zinc/04/17/70/559041770.db2.gz PJQIGTHEJZZGGI-OAQYLSRUSA-N 3 2 412.622 2.616 50 0 HFAALP C[NH+]1CCN(CC(=O)Nc2c3c([nH+]c4ccccc42)N(Cc2ccccc2)CC3)CC1 ZINC000020220141 568595135 /nfs/dbraw/zinc/59/51/35/568595135.db2.gz MQLHEEQRXLGFNA-UHFFFAOYSA-N 2 2 415.541 2.983 50 0 HFAALP O[C@H](COc1cccc(C[NH2+]CC[NH+]2CCCC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000020779383 568643808 /nfs/dbraw/zinc/64/38/08/568643808.db2.gz IGAKWZHHHRCZGA-DEOSSOPVSA-N 3 2 409.574 2.670 50 0 HFAALP O[C@H](COc1cccc(C[NH2+]CC[NH+]2CCCC2)c1)C[N@H+]1CCc2ccccc2C1 ZINC000020779383 568643810 /nfs/dbraw/zinc/64/38/10/568643810.db2.gz IGAKWZHHHRCZGA-DEOSSOPVSA-N 3 2 409.574 2.670 50 0 HFAALP COc1ccccc1OC[C@H](O)Cn1c2ccccc2n(CC[NH+]2CCCCC2)c1=[NH2+] ZINC000001274409 568910147 /nfs/dbraw/zinc/91/01/47/568910147.db2.gz WBUOOXNMVHIUJT-LJQANCHMSA-N 2 2 424.545 2.857 50 0 HFAALP CC[C@]1(C)C[C@@](CCNC(=O)C[NH2+]CCC[NH+](C)C)(c2ccccc2OC)CCO1 ZINC000006759346 569112869 /nfs/dbraw/zinc/11/28/69/569112869.db2.gz GLBQUCGRWDEIQV-RPWUZVMVSA-N 2 2 419.610 2.960 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](CCC)CC3)C2)nc[nH+]1 ZINC000065242409 569204758 /nfs/dbraw/zinc/20/47/58/569204758.db2.gz NTYABKTXDWNZRB-IBGZPJMESA-N 2 2 402.587 2.849 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)N3CC[NH+](CCC)CC3)C2)[nH+]cn1 ZINC000065242409 569204759 /nfs/dbraw/zinc/20/47/59/569204759.db2.gz NTYABKTXDWNZRB-IBGZPJMESA-N 2 2 402.587 2.849 50 0 HFAALP CC(C)C[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245295 569205066 /nfs/dbraw/zinc/20/50/66/569205066.db2.gz VMVTUUYEYGOCHC-LJQANCHMSA-N 2 2 414.598 2.848 50 0 HFAALP CC(C)C[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245295 569205067 /nfs/dbraw/zinc/20/50/67/569205067.db2.gz VMVTUUYEYGOCHC-LJQANCHMSA-N 2 2 414.598 2.848 50 0 HFAALP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CCC)CC3)CC2)nc[nH+]1 ZINC000065274221 569214968 /nfs/dbraw/zinc/21/49/68/569214968.db2.gz LISWKONWUFMPDE-UHFFFAOYSA-N 2 2 402.587 2.849 50 0 HFAALP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CCC)CC3)CC2)[nH+]cn1 ZINC000065274221 569214969 /nfs/dbraw/zinc/21/49/69/569214969.db2.gz LISWKONWUFMPDE-UHFFFAOYSA-N 2 2 402.587 2.849 50 0 HFAALP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1OC(F)F ZINC000078877768 569421264 /nfs/dbraw/zinc/42/12/64/569421264.db2.gz CIUGTIDVPXVOHN-UHFFFAOYSA-N 2 2 411.493 2.977 50 0 HFAALP COc1ccccc1/C=C/CN1CC[N@@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020600492 524320124 /nfs/dbraw/zinc/32/01/24/524320124.db2.gz ALAKGOKTMPRCPG-DRGXBFSJSA-N 2 2 401.595 2.950 50 0 HFAALP COc1ccccc1/C=C/CN1CC[N@H+](C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020600492 524320132 /nfs/dbraw/zinc/32/01/32/524320132.db2.gz ALAKGOKTMPRCPG-DRGXBFSJSA-N 2 2 401.595 2.950 50 0 HFAALP CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000004649059 557575426 /nfs/dbraw/zinc/57/54/26/557575426.db2.gz ZLDPEZBSLSJDPH-JOCHJYFZSA-N 2 2 420.513 2.531 50 0 HFAALP COc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCN(CCO)CC2)cc1 ZINC000019789923 558282236 /nfs/dbraw/zinc/28/22/36/558282236.db2.gz WMIPFXNEDSTMIL-UHFFFAOYSA-N 2 2 419.529 2.575 50 0 HFAALP OCC[C@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1Cc1cccs1 ZINC000020204681 558346520 /nfs/dbraw/zinc/34/65/20/558346520.db2.gz YUVWROUGOGHZCQ-NRFANRHFSA-N 2 2 400.592 2.676 50 0 HFAALP OCC[C@H]1CN(C2CC[NH+](Cc3ccccn3)CC2)CC[N@H+]1Cc1cccs1 ZINC000020204681 558346525 /nfs/dbraw/zinc/34/65/25/558346525.db2.gz YUVWROUGOGHZCQ-NRFANRHFSA-N 2 2 400.592 2.676 50 0 HFAALP Cc1cccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c1C ZINC000021795750 558449517 /nfs/dbraw/zinc/44/95/17/558449517.db2.gz ATEXOLXSYICUHN-UHFFFAOYSA-N 2 2 423.565 2.508 50 0 HFAALP CCc1ccc([C@@H](C[NH2+]Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)[NH+](C)C)cc1 ZINC000023248604 558545603 /nfs/dbraw/zinc/54/56/03/558545603.db2.gz BXKLJFVCDJZMLG-IFMALSPDSA-N 2 2 418.607 2.814 50 0 HFAALP CCOC(=O)C[N@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015062291 558705276 /nfs/dbraw/zinc/70/52/76/558705276.db2.gz WCXNCKLAWLULFZ-NRFANRHFSA-N 2 2 400.519 2.553 50 0 HFAALP CCOC(=O)C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000015062291 558705280 /nfs/dbraw/zinc/70/52/80/558705280.db2.gz WCXNCKLAWLULFZ-NRFANRHFSA-N 2 2 400.519 2.553 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000015062291 558705282 /nfs/dbraw/zinc/70/52/82/558705282.db2.gz WCXNCKLAWLULFZ-NRFANRHFSA-N 2 2 400.519 2.553 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000015062291 558705286 /nfs/dbraw/zinc/70/52/86/558705286.db2.gz WCXNCKLAWLULFZ-NRFANRHFSA-N 2 2 400.519 2.553 50 0 HFAALP CCn1ncc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c1C ZINC000019225633 558852646 /nfs/dbraw/zinc/85/26/46/558852646.db2.gz ACAIDCMXUFJIAU-UHFFFAOYSA-N 2 2 424.593 2.599 50 0 HFAALP CCN(C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CCOCC1 ZINC000082106626 559038298 /nfs/dbraw/zinc/03/82/98/559038298.db2.gz VJIODIXCKHAQSS-OAQYLSRUSA-N 2 2 414.594 2.786 50 0 HFAALP CCN(C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CCOCC1 ZINC000082106626 559038300 /nfs/dbraw/zinc/03/83/00/559038300.db2.gz VJIODIXCKHAQSS-OAQYLSRUSA-N 2 2 414.594 2.786 50 0 HFAALP O=C([C@@H]1CCC[N@@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1)N1CCOCC1 ZINC000082109565 559038864 /nfs/dbraw/zinc/03/88/64/559038864.db2.gz PRBKFJXZIPTIEF-HXUWFJFHSA-N 2 2 408.546 2.774 50 0 HFAALP O=C([C@@H]1CCC[N@H+](C2CCN(c3[nH+]ccc4ccccc43)CC2)C1)N1CCOCC1 ZINC000082109565 559038865 /nfs/dbraw/zinc/03/88/65/559038865.db2.gz PRBKFJXZIPTIEF-HXUWFJFHSA-N 2 2 408.546 2.774 50 0 HFAALP CCc1noc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000095530443 559086658 /nfs/dbraw/zinc/08/66/58/559086658.db2.gz MTSYBWYTDZCMKE-IBGZPJMESA-N 2 2 402.539 2.880 50 0 HFAALP CCc1noc(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)n1 ZINC000095530443 559086660 /nfs/dbraw/zinc/08/66/60/559086660.db2.gz MTSYBWYTDZCMKE-IBGZPJMESA-N 2 2 402.539 2.880 50 0 HFAALP O=c1cc(C[NH+]2CCCCC2)nc(N2CC[NH+](Cc3ccccc3Cl)CC2)[nH]1 ZINC000035925340 569066360 /nfs/dbraw/zinc/06/63/60/569066360.db2.gz KUYXNIFHEUYBBT-UHFFFAOYSA-N 2 2 401.942 2.731 50 0 HFAALP Cc1ccc(-c2nn(C)cc2CCC(=O)N2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000064861124 569109482 /nfs/dbraw/zinc/10/94/82/569109482.db2.gz WYLQPVJLOVWUHQ-UHFFFAOYSA-N 2 2 409.578 2.567 50 0 HFAALP Cc1nc(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000036340421 569141679 /nfs/dbraw/zinc/14/16/79/569141679.db2.gz DWKCMYOZCCDFMB-JOCHJYFZSA-N 2 2 412.578 2.840 50 0 HFAALP C[NH+]1CCC([NH+]2CCN(C(=O)Cc3cccn3-c3cccc(Cl)c3)CC2)CC1 ZINC000065170942 569189189 /nfs/dbraw/zinc/18/91/89/569189189.db2.gz HYBIZNFFHXKDLU-UHFFFAOYSA-N 2 2 400.954 2.912 50 0 HFAALP CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245294 569205091 /nfs/dbraw/zinc/20/50/91/569205091.db2.gz VMVTUUYEYGOCHC-IBGZPJMESA-N 2 2 414.598 2.848 50 0 HFAALP CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245294 569205092 /nfs/dbraw/zinc/20/50/92/569205092.db2.gz VMVTUUYEYGOCHC-IBGZPJMESA-N 2 2 414.598 2.848 50 0 HFAALP CC(C)C[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)CC1 ZINC000065274157 569214919 /nfs/dbraw/zinc/21/49/19/569214919.db2.gz SMAZMVXDPWLWNY-UHFFFAOYSA-N 2 2 414.598 2.848 50 0 HFAALP CC(C)C[NH+]1CCN(C(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)CC1 ZINC000065274157 569214920 /nfs/dbraw/zinc/21/49/20/569214920.db2.gz SMAZMVXDPWLWNY-UHFFFAOYSA-N 2 2 414.598 2.848 50 0 HFAALP O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007684384 132325290 /nfs/dbraw/zinc/32/52/90/132325290.db2.gz XRRRBQNDFMRXFO-FQEVSTJZSA-N 2 2 422.529 2.729 50 0 HFAALP O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007684384 132325292 /nfs/dbraw/zinc/32/52/92/132325292.db2.gz XRRRBQNDFMRXFO-FQEVSTJZSA-N 2 2 422.529 2.729 50 0 HFAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)COc2ccc(OC)cc2)c1=[NH2+] ZINC000000789765 557081034 /nfs/dbraw/zinc/08/10/34/557081034.db2.gz WXRNCFBNFDNYST-GOSISDBHSA-N 2 2 412.534 2.713 50 0 HFAALP C[NH+](C)CCN(C[C@H]1C[N@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691930 557372090 /nfs/dbraw/zinc/37/20/90/557372090.db2.gz VXYOTOZJAQZNIC-JOCHJYFZSA-N 2 2 417.500 2.870 50 0 HFAALP C[NH+](C)CCN(C[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034691930 557372093 /nfs/dbraw/zinc/37/20/93/557372093.db2.gz VXYOTOZJAQZNIC-JOCHJYFZSA-N 2 2 417.500 2.870 50 0 HFAALP C[NH+]1CCC([NH+]2CCC(C[N@H+](Cc3ccc(CO)o3)Cc3ccncc3)CC2)CC1 ZINC000012302140 558371732 /nfs/dbraw/zinc/37/17/32/558371732.db2.gz UPQMAIHPSKFVBD-UHFFFAOYSA-N 3 2 412.578 2.975 50 0 HFAALP C[NH+]1CCC([NH+]2CCC(C[N@@H+](Cc3ccc(CO)o3)Cc3ccncc3)CC2)CC1 ZINC000012302140 558371736 /nfs/dbraw/zinc/37/17/36/558371736.db2.gz UPQMAIHPSKFVBD-UHFFFAOYSA-N 3 2 412.578 2.975 50 0 HFAALP COc1cccc(C[NH2+]CCCC2CCCC2)c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000023338049 558549953 /nfs/dbraw/zinc/54/99/53/558549953.db2.gz LWYIFWBPDJLXPX-OAQYLSRUSA-N 2 2 406.567 2.827 50 0 HFAALP CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000027347539 558672256 /nfs/dbraw/zinc/67/22/56/558672256.db2.gz BTEUBAJIMADFMM-JOCHJYFZSA-N 2 2 423.561 2.554 50 0 HFAALP CC[C@H](CNC(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000027347539 558672257 /nfs/dbraw/zinc/67/22/57/558672257.db2.gz BTEUBAJIMADFMM-JOCHJYFZSA-N 2 2 423.561 2.554 50 0 HFAALP COc1cc(C[NH2+]Cc2ccc(Cl)cc2)ccc1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000015064478 558707211 /nfs/dbraw/zinc/70/72/11/558707211.db2.gz SMCJLNGYRMPHFK-FQEVSTJZSA-N 2 2 420.937 2.710 50 0 HFAALP COc1ccc(C[N@H+](Cc2nccn2C)C(C)C)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015073383 558714265 /nfs/dbraw/zinc/71/42/65/558714265.db2.gz VWSGTIBIQQWDPL-FQEVSTJZSA-N 2 2 418.582 2.919 50 0 HFAALP COc1ccc(C[N@@H+](Cc2nccn2C)C(C)C)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015073383 558714267 /nfs/dbraw/zinc/71/42/67/558714267.db2.gz VWSGTIBIQQWDPL-FQEVSTJZSA-N 2 2 418.582 2.919 50 0 HFAALP COc1ccc(C[NH+](Cc2nccn2C)C(C)C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015073383 558714270 /nfs/dbraw/zinc/71/42/70/558714270.db2.gz VWSGTIBIQQWDPL-FQEVSTJZSA-N 2 2 418.582 2.919 50 0 HFAALP COc1ccc(C[NH+](Cc2nccn2C)C(C)C)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015073383 558714271 /nfs/dbraw/zinc/71/42/71/558714271.db2.gz VWSGTIBIQQWDPL-FQEVSTJZSA-N 2 2 418.582 2.919 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)c1coc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1 ZINC000067757780 558992454 /nfs/dbraw/zinc/99/24/54/558992454.db2.gz LRUBSDXPNPEXOS-VMPITWQZSA-N 2 2 420.517 2.501 50 0 HFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)ccn1 ZINC000082083936 559036606 /nfs/dbraw/zinc/03/66/06/559036606.db2.gz JMWSURKHZLAFNV-QFIPXVFZSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cc(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)ccn1 ZINC000082083936 559036607 /nfs/dbraw/zinc/03/66/07/559036607.db2.gz JMWSURKHZLAFNV-QFIPXVFZSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1noc(C)c1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091611 559036967 /nfs/dbraw/zinc/03/69/67/559036967.db2.gz YLLSXQFATPTLSK-FQEVSTJZSA-N 2 2 411.550 2.679 50 0 HFAALP Cc1noc(C)c1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082091611 559036969 /nfs/dbraw/zinc/03/69/69/559036969.db2.gz YLLSXQFATPTLSK-FQEVSTJZSA-N 2 2 411.550 2.679 50 0 HFAALP CCc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082097862 559037794 /nfs/dbraw/zinc/03/77/94/559037794.db2.gz FKVYKMIAUPZMLZ-LJQANCHMSA-N 2 2 411.550 2.625 50 0 HFAALP CCc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082097862 559037796 /nfs/dbraw/zinc/03/77/96/559037796.db2.gz FKVYKMIAUPZMLZ-LJQANCHMSA-N 2 2 411.550 2.625 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106518 559038159 /nfs/dbraw/zinc/03/81/59/559038159.db2.gz PHVDRKLJVQOTOC-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCCC1(O)CCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082106518 559038161 /nfs/dbraw/zinc/03/81/61/559038161.db2.gz PHVDRKLJVQOTOC-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP Cc1nc(N2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000082120653 559039411 /nfs/dbraw/zinc/03/94/11/559039411.db2.gz LKKGPAIQGWZPMV-OAQYLSRUSA-N 2 2 407.562 2.825 50 0 HFAALP Cc1nc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)cc[nH+]1 ZINC000082120653 559039413 /nfs/dbraw/zinc/03/94/13/559039413.db2.gz LKKGPAIQGWZPMV-OAQYLSRUSA-N 2 2 407.562 2.825 50 0 HFAALP Cc1ccccc1N1CCC([N@@H+]2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)CC1 ZINC000091966335 559074803 /nfs/dbraw/zinc/07/48/03/559074803.db2.gz IBJYDIRQJIVHAV-QPPBQGQZSA-N 2 2 401.595 2.759 50 0 HFAALP Cc1ccccc1N1CCC([N@H+]2CC[C@H]([NH+]3CCOCC3)[C@H](CCCO)C2)CC1 ZINC000091966335 559074804 /nfs/dbraw/zinc/07/48/04/559074804.db2.gz IBJYDIRQJIVHAV-QPPBQGQZSA-N 2 2 401.595 2.759 50 0 HFAALP Cc1noc(C)c1C[N@@H+]1CCc2c(C(=O)N[C@@H]3C[NH+]4CCC3CC4)csc2C1 ZINC000426635354 568724296 /nfs/dbraw/zinc/72/42/96/568724296.db2.gz KJXDYEMNGCBCRR-LJQANCHMSA-N 2 2 400.548 2.735 50 0 HFAALP Cc1noc(C)c1C[N@H+]1CCc2c(C(=O)N[C@@H]3C[NH+]4CCC3CC4)csc2C1 ZINC000426635354 568724298 /nfs/dbraw/zinc/72/42/98/568724298.db2.gz KJXDYEMNGCBCRR-LJQANCHMSA-N 2 2 400.548 2.735 50 0 HFAALP COC(=O)CC[C@H]1C[N@H+](C/C=C/c2ccccc2OC)CC[C@H]1[NH+]1CCOCC1 ZINC000299788360 568875584 /nfs/dbraw/zinc/87/55/84/568875584.db2.gz RYIMGSWGZCMNCW-HEMPXHLYSA-N 2 2 402.535 2.684 50 0 HFAALP COC(=O)CC[C@H]1C[N@@H+](C/C=C/c2ccccc2OC)CC[C@H]1[NH+]1CCOCC1 ZINC000299788360 568875586 /nfs/dbraw/zinc/87/55/86/568875586.db2.gz RYIMGSWGZCMNCW-HEMPXHLYSA-N 2 2 402.535 2.684 50 0 HFAALP COc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000008272812 568986626 /nfs/dbraw/zinc/98/66/26/568986626.db2.gz CYHPDRVGUQOVEB-LJQANCHMSA-N 2 2 411.546 2.869 50 0 HFAALP COc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000008272812 568986629 /nfs/dbraw/zinc/98/66/29/568986629.db2.gz CYHPDRVGUQOVEB-LJQANCHMSA-N 2 2 411.546 2.869 50 0 HFAALP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868136 569012324 /nfs/dbraw/zinc/01/23/24/569012324.db2.gz WCWKQZNOTWERFQ-INIZCTEOSA-N 2 2 402.366 2.898 50 0 HFAALP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868136 569012325 /nfs/dbraw/zinc/01/23/25/569012325.db2.gz WCWKQZNOTWERFQ-INIZCTEOSA-N 2 2 402.366 2.898 50 0 HFAALP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868136 569012326 /nfs/dbraw/zinc/01/23/26/569012326.db2.gz WCWKQZNOTWERFQ-INIZCTEOSA-N 2 2 402.366 2.898 50 0 HFAALP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000012868136 569012327 /nfs/dbraw/zinc/01/23/27/569012327.db2.gz WCWKQZNOTWERFQ-INIZCTEOSA-N 2 2 402.366 2.898 50 0 HFAALP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000249698661 569255431 /nfs/dbraw/zinc/25/54/31/569255431.db2.gz WAKNLWWSCDEJDY-IEBWSBKVSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000249698661 569255433 /nfs/dbraw/zinc/25/54/33/569255433.db2.gz WAKNLWWSCDEJDY-IEBWSBKVSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000249698661 569255435 /nfs/dbraw/zinc/25/54/35/569255435.db2.gz WAKNLWWSCDEJDY-IEBWSBKVSA-N 2 2 400.571 2.648 50 0 HFAALP C[NH+](C)CCCNc1nc2nnnn2c2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000002204712 569296220 /nfs/dbraw/zinc/29/62/20/569296220.db2.gz MOVUGERBMULHJQ-UHFFFAOYSA-N 2 2 422.562 2.656 50 0 HFAALP C[NH+](C)CCCNc1nc2nnnn2c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000002204712 569296221 /nfs/dbraw/zinc/29/62/21/569296221.db2.gz MOVUGERBMULHJQ-UHFFFAOYSA-N 2 2 422.562 2.656 50 0 HFAALP O=C(CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154737 571202167 /nfs/dbraw/zinc/20/21/67/571202167.db2.gz QRNXCNKHGILEFE-FQEVSTJZSA-N 2 2 414.937 2.847 50 0 HFAALP O=C(CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000040154737 571202170 /nfs/dbraw/zinc/20/21/70/571202170.db2.gz QRNXCNKHGILEFE-FQEVSTJZSA-N 2 2 414.937 2.847 50 0 HFAALP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cccc(-n2cc[nH+]c2)n1 ZINC000095465126 571307553 /nfs/dbraw/zinc/30/75/53/571307553.db2.gz LOKWOWOUZCANFN-UHFFFAOYSA-N 2 2 403.490 3.211 50 0 HFAALP O=C(C1CC[NH+](C2CC[NH+](Cc3cccc4nccnc34)CC2)CC1)N1CCCC1 ZINC000012703513 558448690 /nfs/dbraw/zinc/44/86/90/558448690.db2.gz SBULXJYPTDATCE-UHFFFAOYSA-N 2 2 407.562 2.929 50 0 HFAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)cc1C ZINC000021795719 558449650 /nfs/dbraw/zinc/44/96/50/558449650.db2.gz YQXGAGPSDKCCAE-UHFFFAOYSA-N 2 2 423.565 2.508 50 0 HFAALP CCc1ccc([C@@H](C[NH2+]Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)[NH+](C)C)cc1 ZINC000022798738 558512537 /nfs/dbraw/zinc/51/25/37/558512537.db2.gz BXKLJFVCDJZMLG-RBBKRZOGSA-N 2 2 418.607 2.814 50 0 HFAALP COc1cccc(C[NH2+]CCCC2CCCC2)c1OC[C@@H](O)C[NH+]1CCOCC1 ZINC000023338047 558549941 /nfs/dbraw/zinc/54/99/41/558549941.db2.gz LWYIFWBPDJLXPX-NRFANRHFSA-N 2 2 406.567 2.827 50 0 HFAALP COc1cccc(N2CC[NH+]([C@@H](C)C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000023731829 558571661 /nfs/dbraw/zinc/57/16/61/558571661.db2.gz RVGYZZXISAEGIX-NRFANRHFSA-N 2 2 422.573 2.550 50 0 HFAALP COc1cc(C[N@@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc(OC)c1 ZINC000055060583 558871264 /nfs/dbraw/zinc/87/12/64/558871264.db2.gz JAUDVFAZECKTPP-QHCPKHFHSA-N 2 2 400.519 2.868 50 0 HFAALP COc1cc(C[N@H+]2CCOc3ccc([C@@](C)(O)C[NH+](C)C)cc3C2)cc(OC)c1 ZINC000055060583 558871268 /nfs/dbraw/zinc/87/12/68/558871268.db2.gz JAUDVFAZECKTPP-QHCPKHFHSA-N 2 2 400.519 2.868 50 0 HFAALP CC(C)Cn1c[nH+]cc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405750 558897658 /nfs/dbraw/zinc/89/76/58/558897658.db2.gz VOTBBBCARCKTJB-HXUWFJFHSA-N 2 2 401.599 2.838 50 0 HFAALP CC(C)Cn1c[nH+]cc1CN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071405750 558897660 /nfs/dbraw/zinc/89/76/60/558897660.db2.gz VOTBBBCARCKTJB-HXUWFJFHSA-N 2 2 401.599 2.838 50 0 HFAALP Cc1ccc(NC(=O)N2CCN(c3cc(N4CC[NH+](C)CC4)nc(C)[nH+]3)CC2)c(C)c1 ZINC000067630248 558990491 /nfs/dbraw/zinc/99/04/91/558990491.db2.gz NBZAHLNHIFGALB-UHFFFAOYSA-N 2 2 423.565 2.508 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082116297 559039201 /nfs/dbraw/zinc/03/92/01/559039201.db2.gz WSCWVAZIYJKNQV-OAQYLSRUSA-N 2 2 407.562 2.812 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082116297 559039203 /nfs/dbraw/zinc/03/92/03/559039203.db2.gz WSCWVAZIYJKNQV-OAQYLSRUSA-N 2 2 407.562 2.812 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121419 559039585 /nfs/dbraw/zinc/03/95/85/559039585.db2.gz LIUHDRGKAIEBMS-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP O=C(NCC1(O)CCCCC1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082121419 559039586 /nfs/dbraw/zinc/03/95/86/559039586.db2.gz LIUHDRGKAIEBMS-NRFANRHFSA-N 2 2 414.594 2.569 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138580 559040633 /nfs/dbraw/zinc/04/06/33/559040633.db2.gz NBAZEBQTIGAXEM-HXUWFJFHSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)n1 ZINC000082138580 559040634 /nfs/dbraw/zinc/04/06/34/559040634.db2.gz NBAZEBQTIGAXEM-HXUWFJFHSA-N 2 2 407.562 2.778 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082156771 559041402 /nfs/dbraw/zinc/04/14/02/559041402.db2.gz WZWKKWOAWPIJJI-LJQANCHMSA-N 2 2 413.591 2.873 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082156771 559041403 /nfs/dbraw/zinc/04/14/03/559041403.db2.gz WZWKKWOAWPIJJI-LJQANCHMSA-N 2 2 413.591 2.873 50 0 HFAALP CC1CCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3-c3cccc(Cl)c3)CC2)CC1 ZINC000011695780 559189005 /nfs/dbraw/zinc/18/90/05/559189005.db2.gz DFLQSDAFJKLMKH-UHFFFAOYSA-N 2 2 401.942 2.906 50 0 HFAALP COc1cc2c(cc1OC)C[N@H+](Cc1coc(=O)c(C[NH+]3CCCCC3)c1O)CC2 ZINC000100797115 559268168 /nfs/dbraw/zinc/26/81/68/559268168.db2.gz JRYMQDYTPCYGTP-UHFFFAOYSA-N 2 2 414.502 2.907 50 0 biogenic HFAALP COc1cc2c(cc1OC)C[N@@H+](Cc1coc(=O)c(C[NH+]3CCCCC3)c1O)CC2 ZINC000100797115 559268170 /nfs/dbraw/zinc/26/81/70/559268170.db2.gz JRYMQDYTPCYGTP-UHFFFAOYSA-N 2 2 414.502 2.907 50 0 biogenic HFAALP COc1ccccc1[C@@H]1NC2=[NH+]CN(CCC[NH+](C)C)CN2c2nc3ccccc3n21 ZINC000012321701 568471027 /nfs/dbraw/zinc/47/10/27/568471027.db2.gz LYACIJVQYFYOMZ-OAQYLSRUSA-N 2 2 419.533 2.540 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245291 569205209 /nfs/dbraw/zinc/20/52/09/569205209.db2.gz AJMZKNOWJKXECF-LJQANCHMSA-N 2 2 414.598 2.992 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245291 569205210 /nfs/dbraw/zinc/20/52/10/569205210.db2.gz AJMZKNOWJKXECF-LJQANCHMSA-N 2 2 414.598 2.992 50 0 HFAALP O=C(CCc1cc[nH+]c(N2CCOCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065269725 569213936 /nfs/dbraw/zinc/21/39/36/569213936.db2.gz OEAFULFLRQLJTF-UHFFFAOYSA-N 2 2 408.546 2.632 50 0 HFAALP Cc1oc2c(c1C(=O)NCCC[NH+]1CCOCC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289672 569218085 /nfs/dbraw/zinc/21/80/85/569218085.db2.gz KVLKJIYFILTELK-UHFFFAOYSA-N 2 2 411.546 2.907 50 0 HFAALP Cc1oc2c(c1C(=O)NCCC[NH+]1CCOCC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289672 569218086 /nfs/dbraw/zinc/21/80/86/569218086.db2.gz KVLKJIYFILTELK-UHFFFAOYSA-N 2 2 411.546 2.907 50 0 HFAALP C[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000014914171 569285278 /nfs/dbraw/zinc/28/52/78/569285278.db2.gz JDFIXDAYZMCKNJ-UHFFFAOYSA-N 2 2 405.502 2.779 50 0 HFAALP C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000014914171 569285280 /nfs/dbraw/zinc/28/52/80/569285280.db2.gz JDFIXDAYZMCKNJ-UHFFFAOYSA-N 2 2 405.502 2.779 50 0 HFAALP CC(C)[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2F)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078724119 569419929 /nfs/dbraw/zinc/41/99/29/569419929.db2.gz ZNLVZJQOPNANHU-JQVVWYNYSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2F)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078724119 569419931 /nfs/dbraw/zinc/41/99/31/569419931.db2.gz ZNLVZJQOPNANHU-JQVVWYNYSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078724119 569419932 /nfs/dbraw/zinc/41/99/32/569419932.db2.gz ZNLVZJQOPNANHU-JQVVWYNYSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000078724119 569419934 /nfs/dbraw/zinc/41/99/34/569419934.db2.gz ZNLVZJQOPNANHU-JQVVWYNYSA-N 2 2 405.558 2.994 50 0 HFAALP O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007684376 132325273 /nfs/dbraw/zinc/32/52/73/132325273.db2.gz XRRRBQNDFMRXFO-HXUWFJFHSA-N 2 2 422.529 2.729 50 0 HFAALP O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)N1CCN(c2cccc[nH+]2)CC1 ZINC000007684376 132325274 /nfs/dbraw/zinc/32/52/74/132325274.db2.gz XRRRBQNDFMRXFO-HXUWFJFHSA-N 2 2 422.529 2.729 50 0 HFAALP CSCCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000020599434 525459383 /nfs/dbraw/zinc/45/93/83/525459383.db2.gz BEYCMIXVKYJTJN-UHFFFAOYSA-N 2 2 404.624 2.936 50 0 HFAALP C[NH+](C)CCCN1C[NH+]=C2N[C@@H](c3ccc(F)cc3)n3c4ccccc4nc3N2C1 ZINC000020101311 558331844 /nfs/dbraw/zinc/33/18/44/558331844.db2.gz JODJZWPHIPHQMX-HXUWFJFHSA-N 2 2 407.497 2.670 50 0 HFAALP CC(=O)Nc1ccc(C[NH+]2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 ZINC000012315308 558378649 /nfs/dbraw/zinc/37/86/49/558378649.db2.gz WENLYDLZHFDKJH-UHFFFAOYSA-N 2 2 412.578 2.944 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022920162 558522648 /nfs/dbraw/zinc/52/26/48/558522648.db2.gz ONLQRBXUXXDLGJ-DEOSSOPVSA-N 2 2 411.594 2.614 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022920162 558522650 /nfs/dbraw/zinc/52/26/50/558522650.db2.gz ONLQRBXUXXDLGJ-DEOSSOPVSA-N 2 2 411.594 2.614 50 0 HFAALP CC(C)[NH+]1CCC([N@@H+]2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022920162 558522652 /nfs/dbraw/zinc/52/26/52/558522652.db2.gz ONLQRBXUXXDLGJ-DEOSSOPVSA-N 2 2 411.594 2.614 50 0 HFAALP CC(C)[NH+]1CCC([N@H+]2CCN(Cc3cnn(-c4ccccc4)c3)C[C@@H]2CCO)CC1 ZINC000022920162 558522654 /nfs/dbraw/zinc/52/26/54/558522654.db2.gz ONLQRBXUXXDLGJ-DEOSSOPVSA-N 2 2 411.594 2.614 50 0 HFAALP COCC1(NC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCCC1 ZINC000082137361 559040431 /nfs/dbraw/zinc/04/04/31/559040431.db2.gz ZTHWPGHFSRRDKN-NRFANRHFSA-N 2 2 414.594 2.833 50 0 HFAALP COCC1(NC(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)CCCC1 ZINC000082137361 559040432 /nfs/dbraw/zinc/04/04/32/559040432.db2.gz ZTHWPGHFSRRDKN-NRFANRHFSA-N 2 2 414.594 2.833 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082137455 559040492 /nfs/dbraw/zinc/04/04/92/559040492.db2.gz UJWYIGXFPWSAPO-HXUWFJFHSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)no1 ZINC000082137455 559040493 /nfs/dbraw/zinc/04/04/93/559040493.db2.gz UJWYIGXFPWSAPO-HXUWFJFHSA-N 2 2 411.550 2.713 50 0 HFAALP CC[C@@H]1C[N@H+](CC(=O)NCC2CC[NH+](CCOC)CC2)Cc2ccc(Cl)cc2O1 ZINC000012282868 568457847 /nfs/dbraw/zinc/45/78/47/568457847.db2.gz YWJGEMULOKHVGA-HXUWFJFHSA-N 2 2 423.985 2.788 50 0 HFAALP CC[C@@H]1C[N@@H+](CC(=O)NCC2CC[NH+](CCOC)CC2)Cc2ccc(Cl)cc2O1 ZINC000012282868 568457849 /nfs/dbraw/zinc/45/78/49/568457849.db2.gz YWJGEMULOKHVGA-HXUWFJFHSA-N 2 2 423.985 2.788 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)[nH+]cn3)C2)CC1 ZINC000065245290 569205071 /nfs/dbraw/zinc/20/50/71/569205071.db2.gz AJMZKNOWJKXECF-IBGZPJMESA-N 2 2 414.598 2.992 50 0 HFAALP CCCC[NH+]1CCN(C(=O)CC[C@@H]2CCCN(c3cc(NC4CC4)nc[nH+]3)C2)CC1 ZINC000065245290 569205072 /nfs/dbraw/zinc/20/50/72/569205072.db2.gz AJMZKNOWJKXECF-IBGZPJMESA-N 2 2 414.598 2.992 50 0 HFAALP CSc1ccc(C[N@H+](C)CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000007495991 569242434 /nfs/dbraw/zinc/24/24/34/569242434.db2.gz KPDNXEBGEMUQEO-UHFFFAOYSA-N 2 2 405.608 2.992 50 0 HFAALP CSc1ccc(C[N@@H+](C)CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000007495991 569242435 /nfs/dbraw/zinc/24/24/35/569242435.db2.gz KPDNXEBGEMUQEO-UHFFFAOYSA-N 2 2 405.608 2.992 50 0 HFAALP CC(C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000078724125 569419995 /nfs/dbraw/zinc/41/99/95/569419995.db2.gz ZNLVZJQOPNANHU-KNKQGSTJSA-N 2 2 405.558 2.994 50 0 HFAALP CC(C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000078724125 569419996 /nfs/dbraw/zinc/41/99/96/569419996.db2.gz ZNLVZJQOPNANHU-KNKQGSTJSA-N 2 2 405.558 2.994 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)nc[nH+]1 ZINC000245326089 571225122 /nfs/dbraw/zinc/22/51/22/571225122.db2.gz DBTVTGAUTCUXIL-RBUKOAKNSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)nc[nH+]1 ZINC000245326089 571225124 /nfs/dbraw/zinc/22/51/24/571225124.db2.gz DBTVTGAUTCUXIL-RBUKOAKNSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@@H+]3CC)C2)[nH+]cn1 ZINC000245326089 571225127 /nfs/dbraw/zinc/22/51/27/571225127.db2.gz DBTVTGAUTCUXIL-RBUKOAKNSA-N 2 2 402.587 2.896 50 0 HFAALP CCCNc1cc(N2CCC[C@@H](CCC(=O)NC[C@H]3CCC[N@H+]3CC)C2)[nH+]cn1 ZINC000245326089 571225130 /nfs/dbraw/zinc/22/51/30/571225130.db2.gz DBTVTGAUTCUXIL-RBUKOAKNSA-N 2 2 402.587 2.896 50 0 HFAALP CO[C@H]1CCCN(C(=O)C2CC[NH+](C3CC[NH+](Cc4cccc(C)n4)CC3)CC2)C1 ZINC000043004973 523968398 /nfs/dbraw/zinc/96/83/98/523968398.db2.gz OVYOHPHQZJLQRT-QHCPKHFHSA-N 2 2 414.594 2.704 50 0 HFAALP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000004435110 557555028 /nfs/dbraw/zinc/55/50/28/557555028.db2.gz VZAGNGGVCPYWJM-UHFFFAOYSA-N 2 2 400.350 2.654 50 0 HFAALP CC[NH+](CC)CC[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1 ZINC000019792559 558283438 /nfs/dbraw/zinc/28/34/38/558283438.db2.gz ZBPQWCBGXQQWOP-IBGZPJMESA-N 2 2 403.615 2.954 50 0 HFAALP CCn1cc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)c(C)n1 ZINC000012308391 558376742 /nfs/dbraw/zinc/37/67/42/558376742.db2.gz VEKRZKXAPAIDDT-UHFFFAOYSA-N 2 2 424.593 2.599 50 0 HFAALP C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000020877921 558419707 /nfs/dbraw/zinc/41/97/07/558419707.db2.gz FSNPXHDTNUMOIT-UHFFFAOYSA-N 3 2 423.001 2.569 50 0 HFAALP Cc1c[nH]c(CNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH+]1 ZINC000015080415 558718680 /nfs/dbraw/zinc/71/86/80/558718680.db2.gz SMNAXMLCXGSDKS-NRFANRHFSA-N 3 2 409.578 2.753 50 0 HFAALP Cc1c[nH]c(CNC(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)[nH+]1 ZINC000015080415 558718686 /nfs/dbraw/zinc/71/86/86/558718686.db2.gz SMNAXMLCXGSDKS-NRFANRHFSA-N 3 2 409.578 2.753 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071774979 558911434 /nfs/dbraw/zinc/91/14/34/558911434.db2.gz BVGIWVBQLFNUON-QGZVFWFLSA-N 2 2 422.533 2.890 50 0 HFAALP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071774979 558911436 /nfs/dbraw/zinc/91/14/36/558911436.db2.gz BVGIWVBQLFNUON-QGZVFWFLSA-N 2 2 422.533 2.890 50 0 HFAALP CCN1CC[NH+](CCCN2CC3(CC[NH+](Cc4cccc(C)c4)CC3)OC2=O)CC1 ZINC000072407444 558977137 /nfs/dbraw/zinc/97/71/37/558977137.db2.gz BAIFWOVNNNMUEW-UHFFFAOYSA-N 2 2 414.594 2.809 50 0 HFAALP CCN(C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CCOCC1 ZINC000082106627 559038344 /nfs/dbraw/zinc/03/83/44/559038344.db2.gz VJIODIXCKHAQSS-NRFANRHFSA-N 2 2 414.594 2.786 50 0 HFAALP CCN(C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1)C1CCOCC1 ZINC000082106627 559038345 /nfs/dbraw/zinc/03/83/45/559038345.db2.gz VJIODIXCKHAQSS-NRFANRHFSA-N 2 2 414.594 2.786 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082114820 559039103 /nfs/dbraw/zinc/03/91/03/559039103.db2.gz XUPVFLWGVRHJRH-NRFANRHFSA-N 2 2 407.562 2.812 50 0 HFAALP CN(Cc1ccccn1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082114820 559039105 /nfs/dbraw/zinc/03/91/05/559039105.db2.gz XUPVFLWGVRHJRH-NRFANRHFSA-N 2 2 407.562 2.812 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082120102 559039145 /nfs/dbraw/zinc/03/91/45/559039145.db2.gz XWPNRIJRDCVJOA-HXUWFJFHSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082120102 559039147 /nfs/dbraw/zinc/03/91/47/559039147.db2.gz XWPNRIJRDCVJOA-HXUWFJFHSA-N 2 2 411.550 2.713 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082117003 559039268 /nfs/dbraw/zinc/03/92/68/559039268.db2.gz SMTKPQKTYIHMCR-IBGZPJMESA-N 2 2 413.591 2.873 50 0 HFAALP CN(Cc1nccs1)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000082117003 559039269 /nfs/dbraw/zinc/03/92/69/559039269.db2.gz SMTKPQKTYIHMCR-IBGZPJMESA-N 2 2 413.591 2.873 50 0 HFAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)NC[C@@H]4CCCO4)c3)CC2)CC1 ZINC000095497512 559081776 /nfs/dbraw/zinc/08/17/76/559081776.db2.gz FPYLRHWVMPTKBZ-QFIPXVFZSA-N 2 2 401.551 2.533 50 0 HFAALP c1cc(C[NH2+]CCC[NH+]2CCOCC2)n(-c2nnc(N3CCCCCC3)s2)c1 ZINC000020942918 568652804 /nfs/dbraw/zinc/65/28/04/568652804.db2.gz VDSBHWNKKQNQOC-UHFFFAOYSA-N 2 2 404.584 2.521 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@H+](Cc3nc4c(s3)CCCC4)C[C@H]2CCO)CC1 ZINC000104381272 569008478 /nfs/dbraw/zinc/00/84/78/569008478.db2.gz NEVJDVLLWJDNGQ-LJQANCHMSA-N 2 2 406.640 2.763 50 0 HFAALP CC(C)[NH+]1CCC(N2CC[N@@H+](Cc3nc4c(s3)CCCC4)C[C@H]2CCO)CC1 ZINC000104381272 569008479 /nfs/dbraw/zinc/00/84/79/569008479.db2.gz NEVJDVLLWJDNGQ-LJQANCHMSA-N 2 2 406.640 2.763 50 0 HFAALP C[NH+]1CCC(N2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C[C@H]2CCO)CC1 ZINC000104516453 569008819 /nfs/dbraw/zinc/00/88/19/569008819.db2.gz XUKINPGAHZUJSA-HXUWFJFHSA-N 2 2 400.592 2.773 50 0 HFAALP C[N@@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCC[C@H]2c2ccccn2)CC1 ZINC000244899932 569055187 /nfs/dbraw/zinc/05/51/87/569055187.db2.gz ZTFAVPAVCBQPOL-SFHVURJKSA-N 2 2 424.574 2.906 50 0 HFAALP C[N@H+]1CCCN(C(=O)c2nc3sccn3c2C[NH+]2CCC[C@H]2c2ccccn2)CC1 ZINC000244899932 569055188 /nfs/dbraw/zinc/05/51/88/569055188.db2.gz ZTFAVPAVCBQPOL-SFHVURJKSA-N 2 2 424.574 2.906 50 0 HFAALP C[NH+]1CCCN(C(=O)c2nc3sccn3c2C[N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000244899932 569055189 /nfs/dbraw/zinc/05/51/89/569055189.db2.gz ZTFAVPAVCBQPOL-SFHVURJKSA-N 2 2 424.574 2.906 50 0 HFAALP C[NH+]1CCCN(C(=O)c2nc3sccn3c2C[N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000244899932 569055190 /nfs/dbraw/zinc/05/51/90/569055190.db2.gz ZTFAVPAVCBQPOL-SFHVURJKSA-N 2 2 424.574 2.906 50 0 HFAALP CC[C@@]1(C)C[C@@](CCNC(=O)C[NH2+]CCC[NH+](C)C)(c2ccccc2OC)CCO1 ZINC000006759347 569112858 /nfs/dbraw/zinc/11/28/58/569112858.db2.gz GLBQUCGRWDEIQV-ZEQRLZLVSA-N 2 2 419.610 2.960 50 0 HFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+]3CCCCCC3)C2)nc[nH+]1 ZINC000065245124 569204961 /nfs/dbraw/zinc/20/49/61/569204961.db2.gz FHHWIAZHLCPTOW-LJQANCHMSA-N 2 2 402.587 2.897 50 0 HFAALP CCNc1cc(N2CCC[C@H](CCC(=O)NCC[NH+]3CCCCCC3)C2)[nH+]cn1 ZINC000065245124 569204962 /nfs/dbraw/zinc/20/49/62/569204962.db2.gz FHHWIAZHLCPTOW-LJQANCHMSA-N 2 2 402.587 2.897 50 0 HFAALP Cc1oc2c(c1C(=O)NCCCN1CC[NH+](C)CC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289696 569218024 /nfs/dbraw/zinc/21/80/24/569218024.db2.gz XICDLQNRPWVPPS-UHFFFAOYSA-N 2 2 424.589 2.822 50 0 HFAALP Cc1oc2c(c1C(=O)NCCCN1CC[NH+](C)CC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289696 569218026 /nfs/dbraw/zinc/21/80/26/569218026.db2.gz XICDLQNRPWVPPS-UHFFFAOYSA-N 2 2 424.589 2.822 50 0 HFAALP Cc1oc2c(c1C(=O)NCCC[NH+]1CCN(C)CC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289696 569218028 /nfs/dbraw/zinc/21/80/28/569218028.db2.gz XICDLQNRPWVPPS-UHFFFAOYSA-N 2 2 424.589 2.822 50 0 HFAALP Cc1oc2c(c1C(=O)NCCC[NH+]1CCN(C)CC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289696 569218030 /nfs/dbraw/zinc/21/80/30/569218030.db2.gz XICDLQNRPWVPPS-UHFFFAOYSA-N 2 2 424.589 2.822 50 0 HFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCOC(C)C)CC3)CC2)n1 ZINC000019838303 558293356 /nfs/dbraw/zinc/29/33/56/558293356.db2.gz FYINUPLUQCHWMZ-UHFFFAOYSA-N 2 2 402.583 2.608 50 0 HFAALP CCOC(=O)C[N@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012028650 558310615 /nfs/dbraw/zinc/31/06/15/558310615.db2.gz DXFGDTWKEHZSBL-HXUWFJFHSA-N 2 2 422.566 2.694 50 0 HFAALP CCOC(=O)C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+](C)C2CCCCC2)c(OC)c1 ZINC000012028650 558310617 /nfs/dbraw/zinc/31/06/17/558310617.db2.gz DXFGDTWKEHZSBL-HXUWFJFHSA-N 2 2 422.566 2.694 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1 ZINC000012028650 558310618 /nfs/dbraw/zinc/31/06/18/558310618.db2.gz DXFGDTWKEHZSBL-HXUWFJFHSA-N 2 2 422.566 2.694 50 0 HFAALP CCOC(=O)C[NH+](C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1 ZINC000012028650 558310620 /nfs/dbraw/zinc/31/06/20/558310620.db2.gz DXFGDTWKEHZSBL-HXUWFJFHSA-N 2 2 422.566 2.694 50 0 HFAALP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](C/C=C/c3ccco3)CC2)CC1 ZINC000020205736 558346702 /nfs/dbraw/zinc/34/67/02/558346702.db2.gz GATWWPKZGWLXPQ-FPCYGPBVSA-N 2 2 401.551 2.764 50 0 HFAALP C[NH+]1CCC(N2CC[N@H+](Cc3ccccc3OC3CCCC3)C[C@@H]2CCO)CC1 ZINC000020210465 558347498 /nfs/dbraw/zinc/34/74/98/558347498.db2.gz RCJLLVXMVQAGBF-QFIPXVFZSA-N 2 2 401.595 2.971 50 0 HFAALP C[NH+]1CCC(N2CC[N@@H+](Cc3ccccc3OC3CCCC3)C[C@@H]2CCO)CC1 ZINC000020210465 558347499 /nfs/dbraw/zinc/34/74/99/558347499.db2.gz RCJLLVXMVQAGBF-QFIPXVFZSA-N 2 2 401.595 2.971 50 0 HFAALP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012317210 558380360 /nfs/dbraw/zinc/38/03/60/558380360.db2.gz TUUZZQNHQLOXQX-JOCHJYFZSA-N 3 2 424.545 2.553 50 0 HFAALP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012317210 558380362 /nfs/dbraw/zinc/38/03/62/558380362.db2.gz TUUZZQNHQLOXQX-JOCHJYFZSA-N 3 2 424.545 2.553 50 0 HFAALP CC(C)NC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@@H+]1Cc1cccc2ccccc21 ZINC000020996426 558426880 /nfs/dbraw/zinc/42/68/80/558426880.db2.gz CCBNQOVRCZGXRM-VWNXMTODSA-N 2 2 408.590 2.991 50 0 HFAALP CC(C)NC(=O)[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)C[N@H+]1Cc1cccc2ccccc21 ZINC000020996426 558426882 /nfs/dbraw/zinc/42/68/82/558426882.db2.gz CCBNQOVRCZGXRM-VWNXMTODSA-N 2 2 408.590 2.991 50 0 HFAALP CC(C)[C@@H]([NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2c(c1)OCCCO2 ZINC000014124052 558622656 /nfs/dbraw/zinc/62/26/56/558622656.db2.gz PULZWGVOHFKJBB-XMMPIXPASA-N 2 2 424.545 2.878 50 0 HFAALP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000029695403 558718907 /nfs/dbraw/zinc/71/89/07/558718907.db2.gz XXAIABKDWYDYHF-YLJYHZDGSA-N 2 2 421.969 2.868 50 0 HFAALP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000029695403 558718910 /nfs/dbraw/zinc/71/89/10/558718910.db2.gz XXAIABKDWYDYHF-YLJYHZDGSA-N 2 2 421.969 2.868 50 0 HFAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082115716 559038955 /nfs/dbraw/zinc/03/89/55/559038955.db2.gz OYVWHUBJVAUHLS-HXUWFJFHSA-N 2 2 408.546 2.780 50 0 HFAALP O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000082115716 559038956 /nfs/dbraw/zinc/03/89/56/559038956.db2.gz OYVWHUBJVAUHLS-HXUWFJFHSA-N 2 2 408.546 2.780 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000082161517 559041765 /nfs/dbraw/zinc/04/17/65/559041765.db2.gz ILIIENABNJGHAX-FQEVSTJZSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccncc4)CC3)C2)on1 ZINC000082161517 559041766 /nfs/dbraw/zinc/04/17/66/559041766.db2.gz ILIIENABNJGHAX-FQEVSTJZSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cccnc1CNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091656535 559072822 /nfs/dbraw/zinc/07/28/22/559072822.db2.gz HVVSGCAAAPGVAX-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP Cc1cccnc1CNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000091656535 559072824 /nfs/dbraw/zinc/07/28/24/559072824.db2.gz HVVSGCAAAPGVAX-NRFANRHFSA-N 2 2 407.562 2.778 50 0 HFAALP COc1ccc(OC[C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=[NH2+])cc1 ZINC000001240914 568907633 /nfs/dbraw/zinc/90/76/33/568907633.db2.gz DGODGIALPBBEFJ-IBGZPJMESA-N 2 2 424.545 2.857 50 0 HFAALP COc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000008272806 568986676 /nfs/dbraw/zinc/98/66/76/568986676.db2.gz CYHPDRVGUQOVEB-IBGZPJMESA-N 2 2 411.546 2.869 50 0 HFAALP COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000008272806 568986678 /nfs/dbraw/zinc/98/66/78/568986678.db2.gz CYHPDRVGUQOVEB-IBGZPJMESA-N 2 2 411.546 2.869 50 0 HFAALP CCC(CC)C(=O)N1CC[NH+]([C@H](C(=O)NCC[NH+](CC)CC)C2CCCC2)CC1 ZINC000036256339 569120187 /nfs/dbraw/zinc/12/01/87/569120187.db2.gz JVRPXJPYNZKWSF-NRFANRHFSA-N 2 2 408.631 2.584 50 0 HFAALP Cn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011819037 558282114 /nfs/dbraw/zinc/28/21/14/558282114.db2.gz QSRUYXNVLBQWPR-JOCHJYFZSA-N 2 2 409.578 2.757 50 0 HFAALP Cn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000011819037 558282116 /nfs/dbraw/zinc/28/21/16/558282116.db2.gz QSRUYXNVLBQWPR-JOCHJYFZSA-N 2 2 409.578 2.757 50 0 HFAALP C[NH+](C)CCCN1C[NH+]=C2N[C@H](c3ccc(F)cc3)n3c4ccccc4nc3N2C1 ZINC000020101313 558331853 /nfs/dbraw/zinc/33/18/53/558331853.db2.gz JODJZWPHIPHQMX-FQEVSTJZSA-N 2 2 407.497 2.670 50 0 HFAALP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000012317209 558380418 /nfs/dbraw/zinc/38/04/18/558380418.db2.gz TUUZZQNHQLOXQX-QFIPXVFZSA-N 3 2 424.545 2.553 50 0 HFAALP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012317209 558380420 /nfs/dbraw/zinc/38/04/20/558380420.db2.gz TUUZZQNHQLOXQX-QFIPXVFZSA-N 3 2 424.545 2.553 50 0 HFAALP O=C(C[N@@H+]1CCOc2ccccc2C1)N[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012594462 558437147 /nfs/dbraw/zinc/43/71/47/558437147.db2.gz LYVXVNSNJQHPLD-QFIPXVFZSA-N 2 2 405.542 2.629 50 0 HFAALP O=C(C[N@H+]1CCOc2ccccc2C1)N[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000012594462 558437151 /nfs/dbraw/zinc/43/71/51/558437151.db2.gz LYVXVNSNJQHPLD-QFIPXVFZSA-N 2 2 405.542 2.629 50 0 HFAALP O=C(C[NH+]1CCOc2ccccc2C1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012594462 558437154 /nfs/dbraw/zinc/43/71/54/558437154.db2.gz LYVXVNSNJQHPLD-QFIPXVFZSA-N 2 2 405.542 2.629 50 0 HFAALP O=C(C[NH+]1CCOc2ccccc2C1)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012594462 558437157 /nfs/dbraw/zinc/43/71/57/558437157.db2.gz LYVXVNSNJQHPLD-QFIPXVFZSA-N 2 2 405.542 2.629 50 0 HFAALP C[C@@H](NC(=O)CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023139892 558537668 /nfs/dbraw/zinc/53/76/68/558537668.db2.gz HCCXSLHLQRNUNZ-HXUWFJFHSA-N 2 2 403.530 2.867 50 0 HFAALP COc1ccc(OC)c(C[NH+]2CCC([NH+]3CCC(C(=O)NC4CC4)CC3)CC2)c1 ZINC000015077432 558717156 /nfs/dbraw/zinc/71/71/56/558717156.db2.gz MDXSRVBFKADSCN-UHFFFAOYSA-N 2 2 401.551 2.659 50 0 HFAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCc4ccccn4)CC3)CC2)n1 ZINC000015079810 558718357 /nfs/dbraw/zinc/71/83/57/558718357.db2.gz JHRURCWNJGRBPY-UHFFFAOYSA-N 2 2 407.562 2.778 50 0 HFAALP CCOCCCNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000055228501 558877044 /nfs/dbraw/zinc/87/70/44/558877044.db2.gz KGHYEHQQSQVSEN-UHFFFAOYSA-N 2 2 402.583 2.609 50 0 HFAALP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)cc2)CC1 ZINC000058081343 558898030 /nfs/dbraw/zinc/89/80/30/558898030.db2.gz LEBVKMZADXASNI-UHFFFAOYSA-N 2 2 407.562 2.570 50 0 HFAALP COC(C)(C)CNC(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1 ZINC000019537703 558913914 /nfs/dbraw/zinc/91/39/14/558913914.db2.gz CUFZEZNJNAWKBH-UHFFFAOYSA-N 2 2 402.583 2.608 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082120103 559039208 /nfs/dbraw/zinc/03/92/08/559039208.db2.gz XWPNRIJRDCVJOA-FQEVSTJZSA-N 2 2 411.550 2.713 50 0 HFAALP Cc1cc(CN(C)C(=O)[C@H]2CCC[N@H+](C3CC[NH+](Cc4cccnc4)CC3)C2)on1 ZINC000082120103 559039209 /nfs/dbraw/zinc/03/92/09/559039209.db2.gz XWPNRIJRDCVJOA-FQEVSTJZSA-N 2 2 411.550 2.713 50 0 HFAALP O=C(NCCc1ccncc1)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120884 559039382 /nfs/dbraw/zinc/03/93/82/559039382.db2.gz IWMJRODDZLNLPM-QFIPXVFZSA-N 2 2 407.562 2.512 50 0 HFAALP O=C(NCCc1ccncc1)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000082120884 559039384 /nfs/dbraw/zinc/03/93/84/559039384.db2.gz IWMJRODDZLNLPM-QFIPXVFZSA-N 2 2 407.562 2.512 50 0 HFAALP C[C@H]1C[NH2+]CCN1C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082138456 559040450 /nfs/dbraw/zinc/04/04/50/559040450.db2.gz IHBAGSDSMDGQAK-NRFANRHFSA-N 3 2 412.622 2.616 50 0 HFAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)c1ccc2c(c1)OCO2 ZINC000000780167 568474680 /nfs/dbraw/zinc/47/46/80/568474680.db2.gz WFRCAMGEBHKJFW-FQEVSTJZSA-N 2 2 408.502 2.870 50 0 HFAALP O=C1CO[C@H](CNc2ccc3ccccc3[nH+]2)CN1CC1CC[NH+](CC2CC2)CC1 ZINC000299764939 568873557 /nfs/dbraw/zinc/87/35/57/568873557.db2.gz XGRGRDOWPWRONS-OAQYLSRUSA-N 2 2 408.546 2.996 50 0 HFAALP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245229 569205160 /nfs/dbraw/zinc/20/51/60/569205160.db2.gz WAKNLWWSCDEJDY-HKUYNNGSSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000065245229 569205161 /nfs/dbraw/zinc/20/51/61/569205161.db2.gz WAKNLWWSCDEJDY-HKUYNNGSSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245229 569205162 /nfs/dbraw/zinc/20/51/62/569205162.db2.gz WAKNLWWSCDEJDY-HKUYNNGSSA-N 2 2 400.571 2.648 50 0 HFAALP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000065245229 569205163 /nfs/dbraw/zinc/20/51/63/569205163.db2.gz WAKNLWWSCDEJDY-HKUYNNGSSA-N 2 2 400.571 2.648 50 0 HFAALP CCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CC(C)C)CC3)CC2)nc[nH+]1 ZINC000065274054 569214988 /nfs/dbraw/zinc/21/49/88/569214988.db2.gz YUWNDMICXXBOMB-UHFFFAOYSA-N 2 2 402.587 2.705 50 0 HFAALP CCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CC(C)C)CC3)CC2)[nH+]cn1 ZINC000065274054 569214989 /nfs/dbraw/zinc/21/49/89/569214989.db2.gz YUWNDMICXXBOMB-UHFFFAOYSA-N 2 2 402.587 2.705 50 0 HFAALP CC[NH+]1CCN(c2cc(C)nc3nc(C[N@H+](Cc4ccccc4)C(C)C)nn32)CC1 ZINC000065311638 569220946 /nfs/dbraw/zinc/22/09/46/569220946.db2.gz PPBDHZXQKXGCLE-UHFFFAOYSA-N 2 2 407.566 2.985 50 0 HFAALP CC[NH+]1CCN(c2cc(C)nc3nc(C[N@@H+](Cc4ccccc4)C(C)C)nn32)CC1 ZINC000065311638 569220948 /nfs/dbraw/zinc/22/09/48/569220948.db2.gz PPBDHZXQKXGCLE-UHFFFAOYSA-N 2 2 407.566 2.985 50 0 HFAALP Cc1[nH+]ccn1-c1cc(N2CCC(C(=O)Nc3cccc4nsnc43)CC2)[nH+]cn1 ZINC000070637917 571270670 /nfs/dbraw/zinc/27/06/70/571270670.db2.gz IBMZGXBYEYTOPN-UHFFFAOYSA-N 2 2 420.502 2.831 50 0 HFAALP