smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccco3)cc1)CCO2 ZINC000011965228 962215736 /nfs/dbraw/zinc/21/57/36/962215736.db2.gz POQWDJSAURJJGJ-VWLOTQADSA-N 1 0 420.509 3.751 50 0 HHAARO COc1cc(C)c(CN2CCOc3ccc(C[NH+]4CCC(O)CC4)cc3C2)cc1C ZINC000011997777 962221411 /nfs/dbraw/zinc/22/14/11/962221411.db2.gz PWDSCTHQMUHMKK-UHFFFAOYSA-N 1 0 410.558 3.663 50 0 HHAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)c1cccc2nccnc21 ZINC000012031055 962225351 /nfs/dbraw/zinc/22/53/51/962225351.db2.gz DBHOPMWKTJGMGY-DEOSSOPVSA-N 1 0 424.504 3.996 50 0 HHAARO CC[C@@H](C)C[NH+]1CCC([C@@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000012042926 962227743 /nfs/dbraw/zinc/22/77/43/962227743.db2.gz BAZWGHSDSGSGLF-HOYKHHGWSA-N 1 0 415.578 3.696 50 0 HHAARO Cc1nc(CNCc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)cs1 ZINC000012076817 962234509 /nfs/dbraw/zinc/23/45/09/962234509.db2.gz XVCSOKPXMHVAGP-OAQYLSRUSA-N 1 0 403.592 3.746 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCc1ccccc1OC)C3 ZINC000012149102 962245976 /nfs/dbraw/zinc/24/59/76/962245976.db2.gz LHARTICEPWMZBB-KRWDZBQOSA-N 1 0 411.571 3.956 50 0 HHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000012297954 962267280 /nfs/dbraw/zinc/26/72/80/962267280.db2.gz IDIFAQZMVDDSCP-GOSISDBHSA-N 1 0 407.967 3.719 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 ZINC000012315958 962270235 /nfs/dbraw/zinc/27/02/35/962270235.db2.gz ZOPUIDSPNJAHKK-OAQYLSRUSA-N 1 0 403.523 3.728 50 0 HHAARO O=C(NC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)c1[nH]nc2ccccc21 ZINC000012317233 962270609 /nfs/dbraw/zinc/27/06/09/962270609.db2.gz KXDGRJDPJUCYBU-OAHLLOKOSA-N 1 0 405.527 3.815 50 0 HHAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012431150 962278937 /nfs/dbraw/zinc/27/89/37/962278937.db2.gz COXYVKGMEWBGST-OAQYLSRUSA-N 1 0 400.526 3.999 50 0 HHAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000012439638 962280509 /nfs/dbraw/zinc/28/05/09/962280509.db2.gz IEIUOJVERZUUQR-UHFFFAOYSA-N 1 0 404.470 3.894 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000012456469 962282049 /nfs/dbraw/zinc/28/20/49/962282049.db2.gz AAEKLLNHPOWZGU-UXHICEINSA-N 1 0 419.997 3.802 50 0 HHAARO O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3ccc(Oc4ncccn4)cc3)[N@@H+]3CCC[C@@]123 ZINC000012712320 962317621 /nfs/dbraw/zinc/31/76/21/962317621.db2.gz NOVGIWLDHTVHCS-XZOYJPPVSA-N 1 0 404.514 3.949 50 0 HHAARO CN(C)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)o1 ZINC000012711710 962317693 /nfs/dbraw/zinc/31/76/93/962317693.db2.gz KWVLHJICAZCAIZ-IBGZPJMESA-N 1 0 401.526 3.507 50 0 HHAARO Cc1cc(-n2cccn2)ccc1C[NH+]1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000012748938 962324758 /nfs/dbraw/zinc/32/47/58/962324758.db2.gz XEKXLNVOQMXSGD-UHFFFAOYSA-N 1 0 404.518 3.563 50 0 HHAARO CC(C)n1cc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)cn1 ZINC000012761059 962325835 /nfs/dbraw/zinc/32/58/35/962325835.db2.gz GAHFGFCCMUMECC-UHFFFAOYSA-N 1 0 406.534 3.679 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC000014750879 962567988 /nfs/dbraw/zinc/56/79/88/962567988.db2.gz ICXURLNZJVHIRF-FQEVSTJZSA-N 1 0 417.557 3.724 50 0 HHAARO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)[N@@H+]3CCC[C@@]123 ZINC000015064086 962645346 /nfs/dbraw/zinc/64/53/46/962645346.db2.gz LDYIDKUIXASZQL-OEOAZWSVSA-N 1 0 416.550 3.597 50 0 HHAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]CCCn1ccc2ccccc21 ZINC000015064137 962645749 /nfs/dbraw/zinc/64/57/49/962645749.db2.gz WPVZSRUZBWOPMV-UHFFFAOYSA-N 1 0 409.921 3.824 50 0 HHAARO Cc1nonc1CC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000015076437 962649420 /nfs/dbraw/zinc/64/94/20/962649420.db2.gz ZVJXCKKJQZCQGD-UHFFFAOYSA-N 1 0 424.589 3.955 50 0 HHAARO COc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1OC ZINC000019222081 963357921 /nfs/dbraw/zinc/35/79/21/963357921.db2.gz VINNPEONMNZKDA-JOCHJYFZSA-N 1 0 409.574 3.799 50 0 HHAARO O=C1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CCN1Cc1ccccn1 ZINC000020119029 963384149 /nfs/dbraw/zinc/38/41/49/963384149.db2.gz UJKSGGQPFJXLTQ-UHFFFAOYSA-N 1 0 401.510 3.895 50 0 HHAARO Cc1cccc(-n2cc(C[NH2+]CCN3CCC[C@@H](O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000022851353 963729198 /nfs/dbraw/zinc/72/91/98/963729198.db2.gz KEVMWELNYRIVDM-HSZRJFAPSA-N 1 0 408.521 3.533 50 0 HHAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1cccc(Cl)c1 ZINC000039557880 966502229 /nfs/dbraw/zinc/50/22/29/966502229.db2.gz VYDNVLLAQKLFSZ-QUCCMNQESA-N 1 0 403.979 3.541 50 0 HHAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000107497278 969309870 /nfs/dbraw/zinc/30/98/70/969309870.db2.gz OPABPTVSICDWEI-RBUKOAKNSA-N 1 0 421.501 3.675 50 0 HHAARO CC(C)CC[NH+]1CCC(N(C(=O)NCCc2ccccc2)C2CCOCC2)CC1 ZINC000169760599 970470312 /nfs/dbraw/zinc/47/03/12/970470312.db2.gz ZHRMIQJQLAZLMX-UHFFFAOYSA-N 1 0 401.595 3.930 50 0 HHAARO Cc1c(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCC(C)CC3)C2)cnn1C ZINC000169765044 970473091 /nfs/dbraw/zinc/47/30/91/970473091.db2.gz MNVGFHIETGMVCR-OAQYLSRUSA-N 1 0 424.589 3.892 50 0 HHAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)C1CC1)[C@@H]23)NCc1ccccc1 ZINC000257178377 970617384 /nfs/dbraw/zinc/61/73/84/970617384.db2.gz BSVVOXKOZJKKCY-KBOSCXGNSA-N 1 0 423.601 3.585 50 0 HHAARO COc1ccc(C2(C(=O)N3CCC4(CC3)[NH2+]CCc3c5ccccc5[nH]c34)CC2)cc1 ZINC000257182311 970619856 /nfs/dbraw/zinc/61/98/56/970619856.db2.gz GKLNREZVVIRSMY-UHFFFAOYSA-N 1 0 415.537 3.872 50 0 HHAARO Cc1nnc([C@@H]2CC3(CN2C(=O)c2cccnc2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257182455 970619893 /nfs/dbraw/zinc/61/98/93/970619893.db2.gz GNUHRWPVQCDRKB-NRFANRHFSA-N 1 0 417.513 3.643 50 0 HHAARO O=C(c1cccnc1)N1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257188275 970622824 /nfs/dbraw/zinc/62/28/24/970622824.db2.gz FABJQUVSEXBIBU-QHCPKHFHSA-N 1 0 415.541 3.778 50 0 HHAARO Cc1c[nH+]c(CC2CCN(S(=O)(=O)c3ccccc3)CC2)n1Cc1ccccc1 ZINC000257192874 970625039 /nfs/dbraw/zinc/62/50/39/970625039.db2.gz WCQKJPBJBMKFRR-UHFFFAOYSA-N 1 0 409.555 3.883 50 0 HHAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)CN1Cc1ccc2ccccc2c1 ZINC000299798562 970723464 /nfs/dbraw/zinc/72/34/64/970723464.db2.gz SZEQJHVQVCXULQ-PKTZIBPZSA-N 1 0 407.945 3.972 50 0 HHAARO COCC(=O)NC[C@H]1C[N@H+](Cc2ccc(OC)c(OC)c2Cl)CC12CCCCC2 ZINC000409420386 972890544 /nfs/dbraw/zinc/89/05/44/972890544.db2.gz MFHTUOOANRALGY-KRWDZBQOSA-N 1 0 424.969 3.502 50 0 HHAARO Cc1c(C)n(C)c2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc12 ZINC000006911067 132320402 /nfs/dbraw/zinc/32/04/02/132320402.db2.gz HQCBHCQGBWTZLG-UHFFFAOYSA-N 1 0 422.548 3.876 50 0 HHAARO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011911040 132352123 /nfs/dbraw/zinc/35/21/23/132352123.db2.gz VDIKRMWWARNSPX-QGZVFWFLSA-N 1 0 409.578 3.721 50 0 HHAARO O=C([C@H]1CC12CC[NH+](C1Cc3ccccc3C1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012165534 132355728 /nfs/dbraw/zinc/35/57/28/132355728.db2.gz AXMUNCSOQUGCCY-RUZDIDTESA-N 1 0 415.581 3.605 50 0 HHAARO Cn1c(Sc2c(O)cc(N3CC[NH+](C)CC3)c3ccccc32)nnc1-c1ccco1 ZINC000012427830 132359772 /nfs/dbraw/zinc/35/97/72/132359772.db2.gz YSFORVZZBYAVET-UHFFFAOYSA-N 1 0 421.526 3.837 50 0 HHAARO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(F)c(F)c1 ZINC000012878943 132368153 /nfs/dbraw/zinc/36/81/53/132368153.db2.gz JOBXHZCFGHLQNF-UHFFFAOYSA-N 1 0 414.378 3.529 50 0 HHAARO CC(C)C(=O)Nc1nc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cs1 ZINC000044958935 519529605 /nfs/dbraw/zinc/52/96/05/519529605.db2.gz NAJZZCXEOIQQGA-UHFFFAOYSA-N 1 0 414.575 3.582 50 0 HHAARO C[NH+](C)CCN(Cc1csc(COc2ccccc2)n1)C(=O)Cc1ccccc1 ZINC000036114625 521751894 /nfs/dbraw/zinc/75/18/94/521751894.db2.gz HETZQQVHICBPRM-UHFFFAOYSA-N 1 0 409.555 3.855 50 0 HHAARO COC(=O)c1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3SC)CC2)cc1 ZINC000043991299 521956639 /nfs/dbraw/zinc/95/66/39/521956639.db2.gz CMAZJZPPEVARMV-UHFFFAOYSA-N 1 0 412.555 3.837 50 0 HHAARO CCc1c(C(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[nH]c(C)c1C(C)=O ZINC000052690840 523696209 /nfs/dbraw/zinc/69/62/09/523696209.db2.gz ICRLCTHUHFHTNU-HOTGVXAUSA-N 1 0 411.546 3.627 50 0 HHAARO CCc1c(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)[nH]c(C)c1C(C)=O ZINC000052690837 523697141 /nfs/dbraw/zinc/69/71/41/523697141.db2.gz ICRLCTHUHFHTNU-HZPDHXFCSA-N 1 0 411.546 3.627 50 0 HHAARO C[NH+]1CCC2(CC1)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O2 ZINC000031583785 523786178 /nfs/dbraw/zinc/78/61/78/523786178.db2.gz UQKBMOGNEOPORE-GOSISDBHSA-N 1 0 406.935 3.607 50 0 HHAARO Cc1cc(C)c(NC(=O)CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000032863220 524285363 /nfs/dbraw/zinc/28/53/63/524285363.db2.gz KESJFKWNMJHROX-UHFFFAOYSA-N 1 0 408.546 3.646 50 0 HHAARO COc1ccccc1N1CCC([NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 ZINC000032519370 524540439 /nfs/dbraw/zinc/54/04/39/524540439.db2.gz YKVMSDJUOVIAKO-QHCPKHFHSA-N 1 0 405.586 3.885 50 0 HHAARO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCCN3CC[NH+](C)CC3)cc12 ZINC000020597574 525686330 /nfs/dbraw/zinc/68/63/30/525686330.db2.gz WXHWDZNPSIUQKN-UHFFFAOYSA-N 1 0 418.585 3.674 50 0 HHAARO Cc1cc(-c2nnc(CCC(=O)N(C)CC3([NH+]4CCCCC4)CCCCC3)o2)no1 ZINC000020110067 526057739 /nfs/dbraw/zinc/05/77/39/526057739.db2.gz UZYZHVBRDLXFLD-UHFFFAOYSA-N 1 0 415.538 3.613 50 0 HHAARO Cc1ccc(C(=O)N2CCC(CC(=O)NCCC[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000032974194 526082147 /nfs/dbraw/zinc/08/21/47/526082147.db2.gz CLDDXZWWIHOQMZ-UHFFFAOYSA-N 1 0 421.585 3.876 50 0 HHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)c1 ZINC000043083391 526256258 /nfs/dbraw/zinc/25/62/58/526256258.db2.gz IGLVHPCDDMUATD-HXUWFJFHSA-N 1 0 410.587 3.824 50 0 HHAARO c1c(C[NH2+]C[C@@H]2COc3ccccc3O2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000032740382 526399786 /nfs/dbraw/zinc/39/97/86/526399786.db2.gz KVZMGTPGYMFIAD-JOCHJYFZSA-N 1 0 412.493 3.923 50 0 HHAARO Cc1noc(-c2ccc(C)c(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c2)c1C ZINC000020580590 526449923 /nfs/dbraw/zinc/44/99/23/526449923.db2.gz QCVZHSFICPZDJW-UHFFFAOYSA-N 1 0 417.575 3.906 50 0 HHAARO Cc1sc2ncn(CC(=O)Nc3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)c(=O)c2c1C ZINC000032933021 526897811 /nfs/dbraw/zinc/89/78/11/526897811.db2.gz YNNJEESTDBWRHW-HNNXBMFYSA-N 1 0 424.570 3.945 50 0 HHAARO O=C1[C@H]2[C@H]3CCC[N@@H+]3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000043732500 527119815 /nfs/dbraw/zinc/11/98/15/527119815.db2.gz XRJIPHKFTHOBFC-YDZRNGNQSA-N 1 0 411.299 3.774 50 0 HHAARO CCOc1ccc(NC(=S)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004791646 535750382 /nfs/dbraw/zinc/75/03/82/535750382.db2.gz FTQXXPWRVLLOAH-UHFFFAOYSA-N 1 0 416.566 3.723 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000012205289 536574834 /nfs/dbraw/zinc/57/48/34/536574834.db2.gz BWJPGUVGPKFKIA-AWEZNQCLSA-N 1 0 403.914 3.665 50 0 HHAARO COc1ccc([C@]2(O)CN(c3ccc(OC(F)F)cc3)C3=[N+]2CCCCC3)cc1 ZINC000001020676 557143920 /nfs/dbraw/zinc/14/39/20/557143920.db2.gz MTUSOZWNIFXTBY-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO CC[NH+](CC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001743929 557284341 /nfs/dbraw/zinc/28/43/41/557284341.db2.gz RXLALFUZCDDYRY-QFIPXVFZSA-N 1 0 412.555 3.738 50 0 HHAARO CCC(=O)N(Cc1cccc(F)c1)c1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000034679946 557363313 /nfs/dbraw/zinc/36/33/13/557363313.db2.gz WXKGXCBJDSORAC-UHFFFAOYSA-N 1 0 411.521 3.523 50 0 HHAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccncc3)CC2)nc1)c1cc(F)cc(F)c1 ZINC000034681916 557383985 /nfs/dbraw/zinc/38/39/85/557383985.db2.gz QAGIVYQVHBQAEV-UHFFFAOYSA-N 1 0 423.467 3.719 50 0 HHAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000034682969 557385281 /nfs/dbraw/zinc/38/52/81/557385281.db2.gz OYSCQUNFOYMBLO-UHFFFAOYSA-N 1 0 412.530 3.656 50 0 HHAARO O[C@@H](CSc1ccccc1)C[NH+]1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000004299520 557537472 /nfs/dbraw/zinc/53/74/72/557537472.db2.gz NALRVUKYUOFNRE-OAHLLOKOSA-N 1 0 412.481 3.525 50 0 HHAARO COc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c1OC ZINC000004670401 557579333 /nfs/dbraw/zinc/57/93/33/557579333.db2.gz KMBVPGKKKNIPAB-UHFFFAOYSA-N 1 0 402.922 3.886 50 0 HHAARO COc1ccc2cc(Br)ccc2c1CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000004869860 557608678 /nfs/dbraw/zinc/60/86/78/557608678.db2.gz WZGMITZIAWDLSH-UHFFFAOYSA-N 1 0 405.336 3.706 50 0 HHAARO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccc(F)cc1Cl ZINC000004999752 557623571 /nfs/dbraw/zinc/62/35/71/557623571.db2.gz VRTYXMVZKLRILT-UHFFFAOYSA-N 1 0 422.928 3.879 50 0 HHAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000005019618 557626621 /nfs/dbraw/zinc/62/66/21/557626621.db2.gz JWYYHYFMQZTZGO-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO CCOc1ccc([C@]2(O)C[N+](c3cc(OC)ccc3OC)=C3CCCCCN32)cc1 ZINC000002974542 557776078 /nfs/dbraw/zinc/77/60/78/557776078.db2.gz KDUKPRYCXUBAKM-XMMPIXPASA-N 1 0 411.522 3.753 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CCc1cn2ccccc2n1 ZINC000011661108 558265078 /nfs/dbraw/zinc/26/50/78/558265078.db2.gz AONUIEUZWSQFJZ-UHFFFAOYSA-N 1 0 422.548 3.819 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 ZINC000011662983 558266667 /nfs/dbraw/zinc/26/66/67/558266667.db2.gz IUUBWZAPFHIWSH-GOSISDBHSA-N 1 0 402.535 3.828 50 0 HHAARO Cc1c[nH]c(CN(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000011664621 558268288 /nfs/dbraw/zinc/26/82/88/558268288.db2.gz MMAAQVODLWAJIZ-NRFANRHFSA-N 1 0 400.542 3.750 50 0 HHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000011704768 558270911 /nfs/dbraw/zinc/27/09/11/558270911.db2.gz OJBGQDBVLRNHQS-HXUWFJFHSA-N 1 0 412.603 3.518 50 0 HHAARO COc1ccc(N[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)cc1OC ZINC000011754012 558272697 /nfs/dbraw/zinc/27/26/97/558272697.db2.gz ZLGMWTJAGWLSIY-NRFANRHFSA-N 1 0 410.562 3.640 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000011759658 558273050 /nfs/dbraw/zinc/27/30/50/558273050.db2.gz ZDOMLHDYGWJZOU-DEOSSOPVSA-N 1 0 417.557 3.868 50 0 HHAARO COCC[N@@H+](Cc1ccc(COC)o1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000011838319 558285240 /nfs/dbraw/zinc/28/52/40/558285240.db2.gz GRHSEJLAKLUCAD-UHFFFAOYSA-N 1 0 404.526 3.926 50 0 HHAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccsc3)CC2)CC1 ZINC000011822164 558285301 /nfs/dbraw/zinc/28/53/01/558285301.db2.gz ZTAIMZDIWNLFOU-UHFFFAOYSA-N 1 0 412.603 3.592 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000011842947 558287955 /nfs/dbraw/zinc/28/79/55/558287955.db2.gz YMNRNSCDGQBGTR-INIZCTEOSA-N 1 0 402.457 3.512 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccccc2N(C)C)C1 ZINC000011873497 558291113 /nfs/dbraw/zinc/29/11/13/558291113.db2.gz WGTSNFNHLLTOBJ-FQEVSTJZSA-N 1 0 409.574 3.788 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@H]2COCCO2)cc1F ZINC000011873727 558291521 /nfs/dbraw/zinc/29/15/21/558291521.db2.gz BTBLIKKXXRBIQG-IBGZPJMESA-N 1 0 411.477 3.500 50 0 HHAARO CCOC(=O)C1CCN(c2ccccc2CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019834915 558292424 /nfs/dbraw/zinc/29/24/24/558292424.db2.gz XQUZNSHJVXVSQK-UHFFFAOYSA-N 1 0 421.585 3.784 50 0 HHAARO CCn1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C ZINC000011878310 558292846 /nfs/dbraw/zinc/29/28/46/558292846.db2.gz BMTZNCBUAYSUOA-SFHVURJKSA-N 1 0 414.550 3.860 50 0 HHAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000019872248 558299663 /nfs/dbraw/zinc/29/96/63/558299663.db2.gz MIQQQMQEOHXIJI-UHFFFAOYSA-N 1 0 422.928 3.879 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)CSc3ccccn3)CC2)cc1 ZINC000011937673 558301373 /nfs/dbraw/zinc/30/13/73/558301373.db2.gz XQBGPYPHTQWENM-UHFFFAOYSA-N 1 0 413.587 3.595 50 0 HHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000011980677 558306057 /nfs/dbraw/zinc/30/60/57/558306057.db2.gz JUTGIKDGHRYUHP-FQEVSTJZSA-N 1 0 417.557 3.753 50 0 HHAARO CO[C@@H](C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccccc1 ZINC000011998358 558307383 /nfs/dbraw/zinc/30/73/83/558307383.db2.gz XHUGRGRARYVJTQ-XZOQPEGZSA-N 1 0 408.542 3.704 50 0 HHAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cccc(OC)c4OC)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012002898 558308741 /nfs/dbraw/zinc/30/87/41/558308741.db2.gz NJONVCYWAWSSHV-YFBXQHAESA-N 1 0 408.498 3.655 50 0 HHAARO COC[C@H]1CCN(C(=O)c2cc(OC)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000012005560 558309195 /nfs/dbraw/zinc/30/91/95/558309195.db2.gz JZPPHABFXOOMMU-SFHVURJKSA-N 1 0 416.562 3.590 50 0 HHAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([N@H+](C)CC(C)C)C4)c1 ZINC000012041180 558312807 /nfs/dbraw/zinc/31/28/07/558312807.db2.gz BPGOJUNFWXJYFX-KRWDZBQOSA-N 1 0 411.571 3.960 50 0 HHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC000012092182 558324539 /nfs/dbraw/zinc/32/45/39/558324539.db2.gz CWFYGKSBPLIVAP-GOSISDBHSA-N 1 0 418.578 3.883 50 0 HHAARO Cc1ncc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccncc4)cc3)CC2)s1 ZINC000020136433 558337697 /nfs/dbraw/zinc/33/76/97/558337697.db2.gz XCJTYYFVEMKLFS-UHFFFAOYSA-N 1 0 422.554 3.820 50 0 HHAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]C[C@@H]1CCCO1)N1CCCCCCC1 ZINC000020167107 558342991 /nfs/dbraw/zinc/34/29/91/558342991.db2.gz OEPLESHKVNLZHD-KRWDZBQOSA-N 1 0 404.942 3.663 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2sc(C(=O)NCc3ccccc3)c(C)c21 ZINC000012190750 558347638 /nfs/dbraw/zinc/34/76/38/558347638.db2.gz FYBHQAODWGTILU-KRWDZBQOSA-N 1 0 409.559 3.826 50 0 HHAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)c1OC ZINC000012192453 558348095 /nfs/dbraw/zinc/34/80/95/558348095.db2.gz ZLROBFLQINHSMG-KRWDZBQOSA-N 1 0 407.514 3.827 50 0 HHAARO Cc1c(C(=O)Nc2ccncc2)cc(-c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000020224145 558349310 /nfs/dbraw/zinc/34/93/10/558349310.db2.gz BKELGKRWRYBEBA-UHFFFAOYSA-N 1 0 404.514 3.833 50 0 HHAARO CCc1c(C(=O)N(C)Cc2cccs2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000012212313 558354129 /nfs/dbraw/zinc/35/41/29/558354129.db2.gz AAHSFIHJQPQPJV-KRWDZBQOSA-N 1 0 401.576 3.537 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1coc2c1C(=O)CCC2 ZINC000012228885 558357625 /nfs/dbraw/zinc/35/76/25/558357625.db2.gz DVFRAZPJTYWSSO-UHFFFAOYSA-N 1 0 412.505 3.964 50 0 HHAARO CC(=O)c1ccc(OCC(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)cc1 ZINC000012245433 558361424 /nfs/dbraw/zinc/36/14/24/558361424.db2.gz HABVNGWJOWCDQF-NOZRDPDXSA-N 1 0 420.553 3.824 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 ZINC000012298875 558368915 /nfs/dbraw/zinc/36/89/15/558368915.db2.gz JASKYEOPUKLTNW-QGZVFWFLSA-N 1 0 415.534 3.748 50 0 HHAARO Cc1c([C@@H](C)[NH2+]Cc2cn(CC(N)=O)c3ccccc23)cnn1-c1cccc(F)c1 ZINC000012305987 558374889 /nfs/dbraw/zinc/37/48/89/558374889.db2.gz QFHUNSZFYSTPSO-OAHLLOKOSA-N 1 0 405.477 3.611 50 0 HHAARO C/C=C/c1ccc(OCCOCCN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000020500168 558380762 /nfs/dbraw/zinc/38/07/62/558380762.db2.gz DLQFWHMSLKNRKJ-XVNBXDOJSA-N 1 0 410.558 3.942 50 0 HHAARO COC[C@@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012318397 558381407 /nfs/dbraw/zinc/38/14/07/558381407.db2.gz CNVBMOHOWJDSIS-HXUWFJFHSA-N 1 0 423.557 3.624 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000020517767 558383152 /nfs/dbraw/zinc/38/31/52/558383152.db2.gz GCEXEQFACKFRMH-DAMBIUFKSA-N 1 0 409.917 3.942 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000012373204 558390628 /nfs/dbraw/zinc/39/06/28/558390628.db2.gz LXXJMZCPDFQMNN-AWEZNQCLSA-N 1 0 406.885 3.835 50 0 HHAARO CN(Cc1nc2ccccc2o1)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012438722 558409986 /nfs/dbraw/zinc/40/99/86/558409986.db2.gz UAJMOVQIPDFGJU-FQEVSTJZSA-N 1 0 409.530 3.685 50 0 HHAARO CCc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020998002 558427572 /nfs/dbraw/zinc/42/75/72/558427572.db2.gz KHIDEZSFUASJQW-JOCHJYFZSA-N 1 0 421.545 3.619 50 0 HHAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012590567 558435576 /nfs/dbraw/zinc/43/55/76/558435576.db2.gz NNTAIFPQXMBXNX-HNNXBMFYSA-N 1 0 424.923 3.969 50 0 HHAARO CCN1CCN(C(=O)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)CC1 ZINC000012630961 558441792 /nfs/dbraw/zinc/44/17/92/558441792.db2.gz MFOBHDULLINQGA-UHFFFAOYSA-N 1 0 407.558 3.855 50 0 HHAARO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795204 558449500 /nfs/dbraw/zinc/44/95/00/558449500.db2.gz JVZIPLFNYJHAGG-UHFFFAOYSA-N 1 0 424.549 3.528 50 0 HHAARO CCCn1ncc(C[N@@H+]2CCC[C@@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C ZINC000012707337 558450262 /nfs/dbraw/zinc/45/02/62/558450262.db2.gz UXNPYKVMKYXZSP-DEOSSOPVSA-N 1 0 413.562 3.998 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+](C)C)cc1OC ZINC000021807599 558450865 /nfs/dbraw/zinc/45/08/65/558450865.db2.gz KDTYFAODILMQRQ-IBGZPJMESA-N 1 0 409.486 3.700 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021807540 558450894 /nfs/dbraw/zinc/45/08/94/558450894.db2.gz IUFXCNCIVCEPMQ-FQEVSTJZSA-N 1 0 419.481 3.680 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 ZINC000021866120 558452771 /nfs/dbraw/zinc/45/27/71/558452771.db2.gz BPMXXICFCXERSF-HXUWFJFHSA-N 1 0 408.523 3.777 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)COc3ccccc3)CC2)c1 ZINC000012713653 558453858 /nfs/dbraw/zinc/45/38/58/558453858.db2.gz QOUIUFUYPGCIHP-SFHVURJKSA-N 1 0 424.541 3.898 50 0 HHAARO COC(=O)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012713153 558453865 /nfs/dbraw/zinc/45/38/65/558453865.db2.gz AZVZRLKEIYAMKM-DEOSSOPVSA-N 1 0 400.563 3.968 50 0 HHAARO CC(C)(C)OC(=O)NCCCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206231 558456705 /nfs/dbraw/zinc/45/67/05/558456705.db2.gz NGIIKGSNCCAVDT-UHFFFAOYSA-N 1 0 403.567 3.984 50 0 HHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000022011664 558457798 /nfs/dbraw/zinc/45/77/98/558457798.db2.gz CYYLYJKIKTYRDN-QFIPXVFZSA-N 1 0 409.530 3.521 50 0 HHAARO COc1cc([C@@H](C)O)ccc1COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000012910075 558484504 /nfs/dbraw/zinc/48/45/04/558484504.db2.gz QOQJZCQGABFMGG-OXQOHEQNSA-N 1 0 401.503 3.605 50 0 HHAARO C[NH+](C)Cc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000012983129 558494068 /nfs/dbraw/zinc/49/40/68/558494068.db2.gz MRWDNAYOHNWGLG-UHFFFAOYSA-N 1 0 418.541 3.505 50 0 HHAARO Cc1ccn2c(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000022799075 558512503 /nfs/dbraw/zinc/51/25/03/558512503.db2.gz RKKXJUQGEABCBT-UHFFFAOYSA-N 1 0 424.548 3.910 50 0 HHAARO O=c1[nH]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21 ZINC000022801654 558513285 /nfs/dbraw/zinc/51/32/85/558513285.db2.gz TTWCXMBGMVVNOR-UHFFFAOYSA-N 1 0 410.521 3.830 50 0 HHAARO CCOc1cc2c(cc1C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000022804535 558513815 /nfs/dbraw/zinc/51/38/15/558513815.db2.gz DORQMBXFLIFGAS-WMZHIEFXSA-N 1 0 410.558 3.880 50 0 HHAARO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]C[C@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929726 558523714 /nfs/dbraw/zinc/52/37/14/558523714.db2.gz XQDKRDZMJYPTTD-RPWUZVMVSA-N 1 0 409.574 3.930 50 0 HHAARO CCOC(=O)N1CCN([C@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000023359408 558551925 /nfs/dbraw/zinc/55/19/25/558551925.db2.gz OSZYZHZVTDETFN-IBGZPJMESA-N 1 0 414.575 3.549 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000023366648 558552869 /nfs/dbraw/zinc/55/28/69/558552869.db2.gz ZHYYLGPZVGUWDR-OAQYLSRUSA-N 1 0 419.573 3.662 50 0 HHAARO C[C@@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CC[N@@H+]1C ZINC000023375473 558554882 /nfs/dbraw/zinc/55/48/82/558554882.db2.gz YWMVMYBOCBTWHG-QGZVFWFLSA-N 1 0 417.985 3.530 50 0 HHAARO CC[NH+]1CCN(CCOc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2C)CC1 ZINC000022933387 558615418 /nfs/dbraw/zinc/61/54/18/558615418.db2.gz RKTKHTCFBXUVCF-UHFFFAOYSA-N 1 0 422.525 3.793 50 0 biogenic HHAARO CSc1ccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2=O)cc1 ZINC000025287794 558636816 /nfs/dbraw/zinc/63/68/16/558636816.db2.gz NBIGYDWDHMZCJE-UGKGYDQZSA-N 1 0 423.582 3.715 50 0 HHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(-n3ccnc3)nc2)cc1 ZINC000025576356 558644276 /nfs/dbraw/zinc/64/42/76/558644276.db2.gz YMBNTPDVXUSXRW-UHFFFAOYSA-N 1 0 411.509 3.926 50 0 HHAARO CCC[NH+]1CCN(C(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000025664197 558646930 /nfs/dbraw/zinc/64/69/30/558646930.db2.gz JFUIADFQBBVTSS-NRFANRHFSA-N 1 0 413.949 3.755 50 0 HHAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCC(C)CC2)n3C)cc1 ZINC000026121017 558655734 /nfs/dbraw/zinc/65/57/34/558655734.db2.gz NEVORYDWNUEBHN-UHFFFAOYSA-N 1 0 422.529 3.831 50 0 HHAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(C)cc3)CC2)C1=O ZINC000014532652 558656637 /nfs/dbraw/zinc/65/66/37/558656637.db2.gz HJTHUHSVTUXJBS-UHFFFAOYSA-N 1 0 405.542 3.856 50 0 HHAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014744574 558668546 /nfs/dbraw/zinc/66/85/46/558668546.db2.gz RCHTZKFTZXEARU-UHFFFAOYSA-N 1 0 402.498 3.597 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1cccc(F)c1F)CC2 ZINC000014746135 558669099 /nfs/dbraw/zinc/66/90/99/558669099.db2.gz JPWRWVQXNORBKG-GOSISDBHSA-N 1 0 424.495 3.559 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cc4ccccc4s3)CC2)O1)[C@@H]1CCCO1 ZINC000014885320 558677416 /nfs/dbraw/zinc/67/74/16/558677416.db2.gz BADJWAMMQULYHB-ICSRJNTNSA-N 1 0 414.571 3.710 50 0 HHAARO O=C1CC[N@@H+](CCCc2ccccc2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000014886289 558677417 /nfs/dbraw/zinc/67/74/17/558677417.db2.gz QWDNKDXCUHUMMO-UHFFFAOYSA-N 1 0 400.906 3.736 50 0 HHAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014955640 558682316 /nfs/dbraw/zinc/68/23/16/558682316.db2.gz MOJABNPCIKVSHX-SFHVURJKSA-N 1 0 423.483 3.579 50 0 HHAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C1CC1 ZINC000014977651 558689975 /nfs/dbraw/zinc/68/99/75/558689975.db2.gz JOGGEIVPQUKOIF-UHFFFAOYSA-N 1 0 424.574 3.682 50 0 HHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2cccc(-n3cccn3)c2)c1 ZINC000014977811 558689994 /nfs/dbraw/zinc/68/99/94/558689994.db2.gz IDOASEZUIBGWJM-NRFANRHFSA-N 1 0 404.514 3.552 50 0 HHAARO Cc1nonc1C[NH2+]C1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)CC1 ZINC000014982033 558692205 /nfs/dbraw/zinc/69/22/05/558692205.db2.gz QGIUHNBAXNMMPL-KRWDZBQOSA-N 1 0 419.529 3.628 50 0 HHAARO CC[C@@H](NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C)c1cccs1 ZINC000014991169 558694516 /nfs/dbraw/zinc/69/45/16/558694516.db2.gz PCPDUBYRWGHREH-CQSZACIVSA-N 1 0 415.588 3.694 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957092 558708011 /nfs/dbraw/zinc/70/80/11/558708011.db2.gz DHHPQPXOUPJBEJ-AEFFLSMTSA-N 1 0 403.935 3.562 50 0 HHAARO COc1ccc(OC)c(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000015078286 558717627 /nfs/dbraw/zinc/71/76/27/558717627.db2.gz BRGUUDSBTGIUNT-HXUWFJFHSA-N 1 0 424.545 3.522 50 0 HHAARO COc1ccc([C@@H]2[C@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@@H+]2C)cc1 ZINC000072289682 558722517 /nfs/dbraw/zinc/72/25/17/558722517.db2.gz UYCUZMNLVLTQNF-GHTZIAJQSA-N 1 0 420.550 3.926 50 0 HHAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000030634569 558734718 /nfs/dbraw/zinc/73/47/18/558734718.db2.gz HCLRTUCCTDBUTG-UHFFFAOYSA-N 1 0 417.484 3.866 50 0 HHAARO COc1cc(C[NH2+]C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(SC)cc1OC ZINC000072294569 558742706 /nfs/dbraw/zinc/74/27/06/558742706.db2.gz GUOKYGKUIASUDW-QGZVFWFLSA-N 1 0 415.559 3.543 50 0 HHAARO O=C(COCc1cc(-c2cccs2)on1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000015679210 558748833 /nfs/dbraw/zinc/74/88/33/558748833.db2.gz XYNGAARNCOYOPW-UHFFFAOYSA-N 1 0 411.527 3.701 50 0 HHAARO CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305222 558757823 /nfs/dbraw/zinc/75/78/23/558757823.db2.gz LTDMZPPJRBOQNR-LJQANCHMSA-N 1 0 421.570 3.794 50 0 HHAARO C[C@@H](NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000072308297 558770188 /nfs/dbraw/zinc/77/01/88/558770188.db2.gz BJXOJLGTLJBLNH-GOSISDBHSA-N 1 0 414.981 3.551 50 0 HHAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022298777 558779253 /nfs/dbraw/zinc/77/92/53/558779253.db2.gz VLFKLHBWWGECIT-OAQYLSRUSA-N 1 0 400.950 3.699 50 0 HHAARO Cn1c2ccc([C@@H](O)COc3ccc(C[NH2+]C4CCCCCC4)cc3)cc2n(C)c1=O ZINC000016363902 558788388 /nfs/dbraw/zinc/78/83/88/558788388.db2.gz RBMYEHHQSLMTBC-DEOSSOPVSA-N 1 0 423.557 3.802 50 0 HHAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145854 558797977 /nfs/dbraw/zinc/79/79/77/558797977.db2.gz VAZRBLAKDVLURD-YADHBBJMSA-N 1 0 400.494 3.607 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984070 558805104 /nfs/dbraw/zinc/80/51/04/558805104.db2.gz LDBARQROODZNQF-JWGURIENSA-N 1 0 405.498 3.664 50 0 HHAARO O=C1c2ccccc2C(=O)N1CCC[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 ZINC000017206859 558825657 /nfs/dbraw/zinc/82/56/57/558825657.db2.gz GTVGUSGKQBZOCK-UHFFFAOYSA-N 1 0 406.893 3.729 50 0 HHAARO COc1nc(OCc2cccc(-c3ccccc3)c2C)ccc1C[NH2+]CCNC(C)=O ZINC000306122895 558830121 /nfs/dbraw/zinc/83/01/21/558830121.db2.gz JEDPSOYOYVELLZ-UHFFFAOYSA-N 1 0 419.525 3.870 50 0 in-vitro HHAARO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019144019 558846604 /nfs/dbraw/zinc/84/66/04/558846604.db2.gz WJTQUCSPFNXIQS-QFIPXVFZSA-N 1 0 400.473 3.530 50 0 HHAARO CC[NH+](CC)Cc1cccc(NC(=O)CNC(=O)c2cc(-c3ccccc3)on2)c1 ZINC000060332560 558848809 /nfs/dbraw/zinc/84/88/09/558848809.db2.gz QLDYXIMZPHQKJG-UHFFFAOYSA-N 1 0 406.486 3.552 50 0 HHAARO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000054253553 558866919 /nfs/dbraw/zinc/86/69/19/558866919.db2.gz VFWRDNOOWNVOTJ-UHFFFAOYSA-N 1 0 408.933 3.645 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)CC1 ZINC000055309207 558878876 /nfs/dbraw/zinc/87/88/76/558878876.db2.gz HJAPBHYOOXOINI-QHCPKHFHSA-N 1 0 409.549 3.880 50 0 HHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000055369455 558880445 /nfs/dbraw/zinc/88/04/45/558880445.db2.gz ZXYPIVSTGHBANN-NRFANRHFSA-N 1 0 409.617 3.949 50 0 HHAARO Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC[N@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000035397998 558893728 /nfs/dbraw/zinc/89/37/28/558893728.db2.gz UYAZVZQXNBLBRO-SFTDATJTSA-N 1 0 421.589 3.659 50 0 HHAARO COc1ccccc1C[NH+]1CCC(Nc2ncc(C(=O)N(C)C)cc2Cl)CC1 ZINC000058010311 558895082 /nfs/dbraw/zinc/89/50/82/558895082.db2.gz GNNWITRKDFFKTC-UHFFFAOYSA-N 1 0 402.926 3.522 50 0 HHAARO O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058065879 558897837 /nfs/dbraw/zinc/89/78/37/558897837.db2.gz WBIAMUNDHGLPRS-WIYYLYMNSA-N 1 0 409.555 3.660 50 0 HHAARO Cc1ccc([C@@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000058099050 558898663 /nfs/dbraw/zinc/89/86/63/558898663.db2.gz RADXSJHZUKSNQP-OJNXCIKNSA-N 1 0 423.601 3.581 50 0 HHAARO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000058135687 558901060 /nfs/dbraw/zinc/90/10/60/558901060.db2.gz WGHVVWWZLXSYFH-LLVKDONJSA-N 1 0 424.284 3.764 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccsc1 ZINC000058161476 558905717 /nfs/dbraw/zinc/90/57/17/558905717.db2.gz DVSGPDFJWNXFIK-INIZCTEOSA-N 1 0 424.452 3.772 50 0 HHAARO O=C(Nc1ccc2c(c1)OCCO2)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000058167137 558907285 /nfs/dbraw/zinc/90/72/85/558907285.db2.gz GQPKTIXZQLCVOY-HXUWFJFHSA-N 1 0 406.404 3.851 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2F)C[C@H](C)O1 ZINC000058324407 558919642 /nfs/dbraw/zinc/91/96/42/558919642.db2.gz WQTKMQITCGZKGF-SCTDSRPQSA-N 1 0 404.530 3.531 50 0 HHAARO O=C(NC[C@@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(OCc2cccs2)cc1 ZINC000058331390 558920127 /nfs/dbraw/zinc/92/01/27/558920127.db2.gz VBZBPNSCOVIEGT-UTKZUKDTSA-N 1 0 415.559 3.950 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)n2cc(Br)cn2)cc1 ZINC000058392846 558923680 /nfs/dbraw/zinc/92/36/80/558923680.db2.gz ZNDFURAAVPZESJ-UHFFFAOYSA-N 1 0 407.356 3.539 50 0 HHAARO OC[C@@]1(O)CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072434396 558979892 /nfs/dbraw/zinc/97/98/92/558979892.db2.gz JJDSZQQAZDKSEI-XMMPIXPASA-N 1 0 408.929 3.973 50 0 HHAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2cc(C)sc2n1 ZINC000033068986 558981378 /nfs/dbraw/zinc/98/13/78/558981378.db2.gz MXWHCAHKCPLFSK-UHFFFAOYSA-N 1 0 417.531 3.502 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(C(=O)N(C)Cc2nc(-c3cccs3)no2)CC1 ZINC000067613756 558989372 /nfs/dbraw/zinc/98/93/72/558989372.db2.gz SAKNRMOBJGPYMA-UHFFFAOYSA-N 1 0 410.543 3.977 50 0 HHAARO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000067622126 558989909 /nfs/dbraw/zinc/98/99/09/558989909.db2.gz NTWDZXLWHSOSRB-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO NC(=O)N[C@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)cc1 ZINC000022414132 558990921 /nfs/dbraw/zinc/99/09/21/558990921.db2.gz ANQPMDYDODTVDW-LJQANCHMSA-N 1 0 420.985 3.745 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)c(C)c1C ZINC000076973266 558998858 /nfs/dbraw/zinc/99/88/58/558998858.db2.gz WNDPZLUVNYFMAG-DEOSSOPVSA-N 1 0 419.569 3.929 50 0 HHAARO C[N@H+](CCCN1CC2(CCN(C(=O)c3ccccc3)CC2)OC1=O)C1CCCCC1 ZINC000077319011 559001054 /nfs/dbraw/zinc/00/10/54/559001054.db2.gz RSUHBWLPZPXCSU-UHFFFAOYSA-N 1 0 413.562 3.768 50 0 HHAARO CN(CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082098561 559037940 /nfs/dbraw/zinc/03/79/40/559037940.db2.gz QZTVEWUAXHQNGO-QHCPKHFHSA-N 1 0 412.622 3.797 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2c(F)cccc2F)c1 ZINC000033278770 559042250 /nfs/dbraw/zinc/04/22/50/559042250.db2.gz RPVAPWWSMIHZFF-UHFFFAOYSA-N 1 0 417.456 3.534 50 0 HHAARO COCCC[N@@H+]1CCc2nc(SCc3cccc(Br)c3)[nH]c(=O)c2C1 ZINC000033287227 559043845 /nfs/dbraw/zinc/04/38/45/559043845.db2.gz YDKKPRUOFQFTPJ-UHFFFAOYSA-N 1 0 424.364 3.632 50 0 HHAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(C)c1C ZINC000091746506 559073375 /nfs/dbraw/zinc/07/33/75/559073375.db2.gz BJBYZGRWHJDQHD-OAQYLSRUSA-N 1 0 400.563 3.696 50 0 HHAARO O=C(c1ccccc1N1CCCC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095386901 559080727 /nfs/dbraw/zinc/08/07/27/559080727.db2.gz KLVKTDQEUOXEKT-ICDZXHCJSA-N 1 0 401.554 3.989 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cc(C)nc2onc(C)c21 ZINC000011560806 559101225 /nfs/dbraw/zinc/10/12/25/559101225.db2.gz AUJSPEWSMRSOQS-UHFFFAOYSA-N 1 0 406.490 3.783 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3cc(-c4cccc(OC)c4)n[nH]3)cc2)CC1 ZINC000023313240 559115943 /nfs/dbraw/zinc/11/59/43/559115943.db2.gz DHPJGDACCHVTNM-UHFFFAOYSA-N 1 0 404.514 3.920 50 0 HHAARO O=C(NCCc1cn[nH]c1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011662583 559128315 /nfs/dbraw/zinc/12/83/15/559128315.db2.gz MBSYUMGBHVZGFY-UHFFFAOYSA-N 1 0 416.953 3.821 50 0 HHAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000106951593 559164067 /nfs/dbraw/zinc/16/40/67/559164067.db2.gz AZIKMJIKWWAHES-FQEVSTJZSA-N 1 0 407.514 3.941 50 0 HHAARO Cc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000023477130 559176182 /nfs/dbraw/zinc/17/61/82/559176182.db2.gz DAPDQEPBCKGHCC-VWLOTQADSA-N 1 0 417.553 3.556 50 0 HHAARO Cc1cc(S(=O)(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c(Cl)cc1Cl ZINC000225574059 559189268 /nfs/dbraw/zinc/18/92/68/559189268.db2.gz PDHWKKWIZNDHNY-AWEZNQCLSA-N 1 0 423.431 3.798 50 0 HHAARO O=C(N/C(=C\c1ccco1)C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000004954027 559216055 /nfs/dbraw/zinc/21/60/55/559216055.db2.gz SODFXXCZNYVHDW-PYCFMQQDSA-N 1 0 407.514 3.527 50 0 HHAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000005093984 559244415 /nfs/dbraw/zinc/24/44/15/559244415.db2.gz YJWOUFKMTVTPQM-IBGZPJMESA-N 1 0 421.497 3.779 50 0 HHAARO C[NH+](C)CCCn1cnc2c(c1=N)[C@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005347393 560570699 /nfs/dbraw/zinc/57/06/99/560570699.db2.gz PJLNEAQLCGINNJ-LJQANCHMSA-N 1 0 410.905 3.959 50 0 HHAARO COc1ccc(CCS(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008901877 560640223 /nfs/dbraw/zinc/64/02/23/560640223.db2.gz KQZRLKGTJNLHEI-OAQYLSRUSA-N 1 0 422.616 3.836 50 0 HHAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000018223095 560785100 /nfs/dbraw/zinc/78/51/00/560785100.db2.gz CUUXDDIYBCFWPA-GOSISDBHSA-N 1 0 402.281 3.939 50 0 HHAARO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000103887062 560844963 /nfs/dbraw/zinc/84/49/63/560844963.db2.gz LNEDVKXDMWELJG-YKSBVNFPSA-N 1 0 419.569 3.930 50 0 HHAARO Cc1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nnn1-c1ccc(Cl)cc1 ZINC000051318190 560858498 /nfs/dbraw/zinc/85/84/98/560858498.db2.gz FUKSIEZFJLGDDN-UHFFFAOYSA-N 1 0 409.921 3.624 50 0 HHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1nc2ccccc2s1 ZINC000012165044 560890592 /nfs/dbraw/zinc/89/05/92/560890592.db2.gz JEXUFWWUXGHJOD-QGZVFWFLSA-N 1 0 413.518 3.985 50 0 HHAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4ccc(Cl)cc4nc3C)cn2)CC1 ZINC000048287531 568434722 /nfs/dbraw/zinc/43/47/22/568434722.db2.gz NMQZFRRXYFEOPI-UHFFFAOYSA-N 1 0 423.948 3.664 50 0 HHAARO CCOC(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000048345172 568440870 /nfs/dbraw/zinc/44/08/70/568440870.db2.gz CQBFORJBGLEFNU-OALUTQOASA-N 1 0 415.578 3.649 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000048373993 568442317 /nfs/dbraw/zinc/44/23/17/568442317.db2.gz RVCSGXJZYCBWOW-RMYSCLOFSA-N 1 0 412.599 3.973 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000048884832 568443520 /nfs/dbraw/zinc/44/35/20/568443520.db2.gz NUNLNNDPBACVJA-HDICACEKSA-N 1 0 413.587 3.662 50 0 HHAARO CCCc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc12 ZINC000012296822 568462616 /nfs/dbraw/zinc/46/26/16/568462616.db2.gz RDDWUKSCTJQPRL-GHTZIAJQSA-N 1 0 412.530 3.505 50 0 biogenic HHAARO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c(Cl)cc12 ZINC000012296532 568462652 /nfs/dbraw/zinc/46/26/52/568462652.db2.gz KBNRRYTZJGLIKS-MAUKXSAKSA-N 1 0 418.921 3.514 50 0 biogenic HHAARO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022680810 568497288 /nfs/dbraw/zinc/49/72/88/568497288.db2.gz MPFXOCYITZBPPZ-PXNSSMCTSA-N 1 0 417.575 3.685 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c(C)c2)CC1 ZINC000025185081 568516218 /nfs/dbraw/zinc/51/62/18/568516218.db2.gz JXROLEBSDJHWFE-YRNVUSSQSA-N 1 0 409.530 3.806 50 0 HHAARO O[C@@H](CSc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384958 568603148 /nfs/dbraw/zinc/60/31/48/568603148.db2.gz CHNJBACPVVGYNI-GOSISDBHSA-N 1 0 407.377 3.724 50 0 HHAARO COc1ccc(-n2ccc(CN[C@@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)n2)cc1 ZINC000095462836 568621743 /nfs/dbraw/zinc/62/17/43/568621743.db2.gz ZBRYKFLYNCHNCX-HSZRJFAPSA-N 1 0 418.541 3.959 50 0 HHAARO COCC[NH2+]Cc1cnc(C)c2oc(C(=O)c3ccc(Br)cc3)cc21 ZINC000095472713 568628146 /nfs/dbraw/zinc/62/81/46/568628146.db2.gz COYVSRVLYOAEFU-UHFFFAOYSA-N 1 0 403.276 3.866 50 0 HHAARO COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424909 568637013 /nfs/dbraw/zinc/63/70/13/568637013.db2.gz KOLIAGFBCDOCRP-FZKQIMNGSA-N 1 0 406.885 3.910 50 0 HHAARO CC[NH+](CC)CCCNC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C ZINC000020856439 568645533 /nfs/dbraw/zinc/64/55/33/568645533.db2.gz ZQSDSNZCOPMQNE-UHFFFAOYSA-N 1 0 401.599 3.892 50 0 HHAARO C[N@H+]1CC=C(c2noc(CCC(=O)Nc3cc(-c4cccc(Cl)c4)no3)n2)CC1 ZINC000020901797 568650122 /nfs/dbraw/zinc/65/01/22/568650122.db2.gz HSEMCIBTNRKCRC-UHFFFAOYSA-N 1 0 413.865 3.668 50 0 HHAARO C[N@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)C1CCCCC1 ZINC000020925773 568651312 /nfs/dbraw/zinc/65/13/12/568651312.db2.gz LXAKHQYOPSATAQ-UHFFFAOYSA-N 1 0 403.498 3.768 50 0 HHAARO Cc1nc2cccnc2n1-c1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000020934260 568652110 /nfs/dbraw/zinc/65/21/10/568652110.db2.gz QOVZAYKIRRNMHY-UHFFFAOYSA-N 1 0 403.530 3.819 50 0 HHAARO COc1ccccc1N1CCC[C@@H]([NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000095940791 568661687 /nfs/dbraw/zinc/66/16/87/568661687.db2.gz XVEQVJISUKNOPN-FGZHOGPDSA-N 1 0 405.546 3.985 50 0 HHAARO COCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c2cc(Cl)ccc21 ZINC000096125627 568701461 /nfs/dbraw/zinc/70/14/61/568701461.db2.gz BXWNTNUOICLLTI-OXQOHEQNSA-N 1 0 403.954 3.935 50 0 biogenic HHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000229631533 568714494 /nfs/dbraw/zinc/71/44/94/568714494.db2.gz QBVKBHYCCRSXQX-BRWVUGGUSA-N 1 0 402.970 3.989 50 0 HHAARO COCCn1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc2cc(Cl)ccc21 ZINC000096343583 568737153 /nfs/dbraw/zinc/73/71/53/568737153.db2.gz IRHKNBAMMUEENP-VQIMIIECSA-N 1 0 403.954 3.935 50 0 HHAARO Cc1ccc(C)c(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795161 568753811 /nfs/dbraw/zinc/75/38/11/568753811.db2.gz YSBDEUMGNHKYCM-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)c1ccc(-c2nc(C)no2)cc1)[NH+]1CCCC1 ZINC000025267091 568761123 /nfs/dbraw/zinc/76/11/23/568761123.db2.gz PKTXXGARAXSCBT-FQEVSTJZSA-N 1 0 406.486 3.621 50 0 HHAARO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCOCC2)cc1 ZINC000225584128 568774817 /nfs/dbraw/zinc/77/48/17/568774817.db2.gz MOZHALWCICXVFI-UHFFFAOYSA-N 1 0 424.541 3.857 50 0 biogenic HHAARO Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1Cl ZINC000225690041 568779089 /nfs/dbraw/zinc/77/90/89/568779089.db2.gz ZCMZBIZKANEZJE-UHFFFAOYSA-N 1 0 410.992 3.921 50 0 HHAARO Cc1ccccc1Cn1cc(C[NH2+]CCCSc2nnnn2C)c2ccccc21 ZINC000261492659 568820605 /nfs/dbraw/zinc/82/06/05/568820605.db2.gz ZBGVYSUKQTXNSS-UHFFFAOYSA-N 1 0 406.559 3.794 50 0 HHAARO O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000056896076 568820887 /nfs/dbraw/zinc/82/08/87/568820887.db2.gz KYUVKAMWSFJCIB-QHCPKHFHSA-N 1 0 404.489 3.514 50 0 HHAARO Nc1nc(Cl)cc(NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000029620680 568827998 /nfs/dbraw/zinc/82/79/98/568827998.db2.gz PDXSXYLKQOWTDK-UHFFFAOYSA-N 1 0 408.937 3.647 50 0 HHAARO O[C@]1(c2ccc(Br)cc2)C[N+](CCc2ccccc2)=C2SCCCN21 ZINC000003227387 568847489 /nfs/dbraw/zinc/84/74/89/568847489.db2.gz ZWKGBJLWMIMYAE-FQEVSTJZSA-N 1 0 418.380 3.658 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000003042535 568847994 /nfs/dbraw/zinc/84/79/94/568847994.db2.gz QAYVOTZNTCJPCT-UHFFFAOYSA-N 1 0 411.933 3.775 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2F)C[C@H](C)O1 ZINC000057853780 568863373 /nfs/dbraw/zinc/86/33/73/568863373.db2.gz PRPMLKFYHNBGTJ-KHYOSLBOSA-N 1 0 420.554 3.925 50 0 HHAARO C[C@H]([NH2+]CCSc1nccn1C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012580319 568864040 /nfs/dbraw/zinc/86/40/40/568864040.db2.gz CDNNXNKCPHLNCK-NSHDSACASA-N 1 0 417.585 3.890 50 0 HHAARO CCOCc1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1OC ZINC000012596949 568869172 /nfs/dbraw/zinc/86/91/72/568869172.db2.gz NXHFBKNVWKPLAG-UHFFFAOYSA-N 1 0 412.534 3.614 50 0 HHAARO C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052996 568872413 /nfs/dbraw/zinc/87/24/13/568872413.db2.gz MTDASFVQYTWGOX-YPMHNXCESA-N 1 0 407.146 3.683 50 0 HHAARO O=C(Nc1cccc(N2CCC([NH2+]CC3(O)CCCCC3)CC2)c1)c1ccncc1 ZINC000299793005 568876094 /nfs/dbraw/zinc/87/60/94/568876094.db2.gz IIRJHHZVTPAFAN-UHFFFAOYSA-N 1 0 408.546 3.588 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)C3 ZINC000299799662 568876498 /nfs/dbraw/zinc/87/64/98/568876498.db2.gz UKVJGNBEYZUAMN-MRXNPFEDSA-N 1 0 421.570 3.861 50 0 HHAARO COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(CN3CCCC3)c2c1 ZINC000003362763 568888295 /nfs/dbraw/zinc/88/82/95/568888295.db2.gz UQPLVSOJZWVTFE-UHFFFAOYSA-N 1 0 419.528 3.826 50 0 HHAARO COc1ccc(OC)c([N+]2=C3SCCCN3C[C@]2(O)c2ccc(Cl)cc2)c1 ZINC000003529939 568912897 /nfs/dbraw/zinc/91/28/97/568912897.db2.gz MMEPLKUZHWHDIW-FQEVSTJZSA-N 1 0 405.927 3.528 50 0 HHAARO C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012700694 568917185 /nfs/dbraw/zinc/91/71/85/568917185.db2.gz UQYUBPMJNPQWOK-UONOGXRCSA-N 1 0 421.526 3.673 50 0 HHAARO C[C@@H]1CCc2[nH]c3c(cccc3C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c2C1 ZINC000031457780 568926573 /nfs/dbraw/zinc/92/65/73/568926573.db2.gz HYBZFLZZLLRTMB-MRXNPFEDSA-N 1 0 418.541 3.836 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1csc(-c2ncccn2)n1 ZINC000670452171 568928298 /nfs/dbraw/zinc/92/82/98/568928298.db2.gz QERCOJAPYMSOFF-LJQANCHMSA-N 1 0 407.543 3.947 50 0 HHAARO Cn1cc(CCC(=O)OC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000084318340 568945926 /nfs/dbraw/zinc/94/59/26/568945926.db2.gz VBXGEFKAIZDEBB-YLJYHZDGSA-N 1 0 409.452 3.998 50 0 HHAARO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000012775992 568954605 /nfs/dbraw/zinc/95/46/05/568954605.db2.gz BXSQKLGFPQDNGL-GOSISDBHSA-N 1 0 410.543 3.712 50 0 HHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)COc1cccc(NC(=O)c2ccco2)c1 ZINC000084771257 568958935 /nfs/dbraw/zinc/95/89/35/568958935.db2.gz HYNIROOCNCHRPM-UHFFFAOYSA-N 1 0 415.534 3.737 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(I)c1 ZINC000008011631 568968110 /nfs/dbraw/zinc/96/81/10/568968110.db2.gz RHXFHFKRYJTQED-UHFFFAOYSA-N 1 0 420.294 3.817 50 0 HHAARO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008185786 568980516 /nfs/dbraw/zinc/98/05/16/568980516.db2.gz VMSDJIMEUYVKAN-HZPDHXFCSA-N 1 0 421.588 3.601 50 0 HHAARO O=C1CCSc2ccc(S(=O)(=O)Nc3cccc(C[NH+]4CCCC4)c3)cc2N1 ZINC000015731073 568980953 /nfs/dbraw/zinc/98/09/53/568980953.db2.gz UCTLRBXUPUGMRP-UHFFFAOYSA-N 1 0 417.556 3.518 50 0 HHAARO COc1cccc([C@H](C[NH2+][C@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323981 568990766 /nfs/dbraw/zinc/99/07/66/568990766.db2.gz HFXROQJCCNMMGU-UTKZUKDTSA-N 1 0 421.541 3.918 50 0 HHAARO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107882 568992044 /nfs/dbraw/zinc/99/20/44/568992044.db2.gz AHIUEMBECMBWDH-FXAWDEMLSA-N 1 0 411.550 3.685 50 0 biogenic HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104469179 569008924 /nfs/dbraw/zinc/00/89/24/569008924.db2.gz BWTYEMKWFDGXCF-HXUWFJFHSA-N 1 0 404.501 3.659 50 0 HHAARO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c12 ZINC000012882359 569018972 /nfs/dbraw/zinc/01/89/72/569018972.db2.gz WDQWKVSCQRGZRO-IBGZPJMESA-N 1 0 403.486 3.569 50 0 HHAARO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN(C)Cc1ccc(C)cc1C ZINC000012910113 569021420 /nfs/dbraw/zinc/02/14/20/569021420.db2.gz REJOJUWOESBEJS-UHFFFAOYSA-N 1 0 404.558 3.913 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397958 569034941 /nfs/dbraw/zinc/03/49/41/569034941.db2.gz LTNFSNGXIZXJMD-IFMALSPDSA-N 1 0 421.589 3.741 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1 ZINC000035398068 569035041 /nfs/dbraw/zinc/03/50/41/569035041.db2.gz WYJLTLAGKVAOMD-OAQYLSRUSA-N 1 0 409.578 3.517 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3cccc(C)c3)nn2)CC1 ZINC000035398380 569035144 /nfs/dbraw/zinc/03/51/44/569035144.db2.gz FGZPKGQPCYMEEZ-UHFFFAOYSA-N 1 0 409.578 3.517 50 0 HHAARO Cc1ccc(-c2nccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000035422813 569036334 /nfs/dbraw/zinc/03/63/34/569036334.db2.gz ORFGPKSGWRTRPK-JOCHJYFZSA-N 1 0 421.589 3.661 50 0 HHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1csc(-c2ccncc2)n1 ZINC000064667445 569078476 /nfs/dbraw/zinc/07/84/76/569078476.db2.gz HUSLTCFEXPWALR-UHFFFAOYSA-N 1 0 410.518 3.986 50 0 HHAARO Cc1c(C)c(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006658622 569083402 /nfs/dbraw/zinc/08/34/02/569083402.db2.gz ZIPYFSUEAXAVEE-UHFFFAOYSA-N 1 0 400.519 3.522 50 0 HHAARO CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659849 569084034 /nfs/dbraw/zinc/08/40/34/569084034.db2.gz ULQZQLDAONRPDL-OAHLLOKOSA-N 1 0 414.546 3.857 50 0 HHAARO CN(C)c1cccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)c1 ZINC000064761097 569091285 /nfs/dbraw/zinc/09/12/85/569091285.db2.gz CRVSQVVVBPNPDT-UHFFFAOYSA-N 1 0 402.502 3.915 50 0 HHAARO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102568 569092048 /nfs/dbraw/zinc/09/20/48/569092048.db2.gz DXMYDAUEDJCUMW-HXUWFJFHSA-N 1 0 413.445 3.727 50 0 HHAARO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2cccc(F)c2)C[C@H](O)COC(C)C)C1 ZINC000036145802 569098361 /nfs/dbraw/zinc/09/83/61/569098361.db2.gz XNJBVESUFGJTCK-VXKWHMMOSA-N 1 0 414.521 3.915 50 0 HHAARO COc1ccc(-c2noc(-c3ccc(NCCC[N@@H+]4CCC[C@@H](C)C4)nn3)n2)cc1 ZINC000064838064 569106213 /nfs/dbraw/zinc/10/62/13/569106213.db2.gz GPCZYWJOZXUNOZ-MRXNPFEDSA-N 1 0 408.506 3.736 50 0 HHAARO CC[NH+](CC)CCNCC(=O)N1c2ccccc2CCc2ccc(NC(=O)OC)cc21 ZINC000019371742 569124665 /nfs/dbraw/zinc/12/46/65/569124665.db2.gz JOLDWQJWIIWEJF-UHFFFAOYSA-N 1 0 424.545 3.560 50 0 HHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806354 569130954 /nfs/dbraw/zinc/13/09/54/569130954.db2.gz QQYAPAGVUIPKKM-CALCHBBNSA-N 1 0 416.591 3.516 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2)CC1 ZINC000036341573 569141920 /nfs/dbraw/zinc/14/19/20/569141920.db2.gz ODWRDNJPDUPPOR-DEOSSOPVSA-N 1 0 404.558 3.619 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2)CC1 ZINC000036344284 569142480 /nfs/dbraw/zinc/14/24/80/569142480.db2.gz UODSEARDPMKNAY-XMMPIXPASA-N 1 0 404.558 3.619 50 0 HHAARO Cc1ccc(Oc2nccnc2SCC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000065111032 569178865 /nfs/dbraw/zinc/17/88/65/569178865.db2.gz XSIRUYZQJGHBAQ-QGZVFWFLSA-N 1 0 400.548 3.660 50 0 HHAARO COc1ccc(NC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)cc1OC ZINC000065255923 569208037 /nfs/dbraw/zinc/20/80/37/569208037.db2.gz DNGRDEARFBJROK-FQEVSTJZSA-N 1 0 418.497 3.502 50 0 HHAARO CCOc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)cc1 ZINC000065256304 569208412 /nfs/dbraw/zinc/20/84/12/569208412.db2.gz GJLWQYPXQJJLOD-JOCHJYFZSA-N 1 0 402.498 3.884 50 0 HHAARO O=C(c1ccn2c(c1)nnc2-c1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000065296261 569218918 /nfs/dbraw/zinc/21/89/18/569218918.db2.gz PLYGLMZWXFBSEE-UHFFFAOYSA-N 1 0 407.493 3.626 50 0 HHAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccc(OC)c(OC)c2)c1C ZINC000007266232 569230992 /nfs/dbraw/zinc/23/09/92/569230992.db2.gz QCPCXIMYFDIZFH-OAHLLOKOSA-N 1 0 402.491 3.529 50 0 HHAARO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000065592865 569236969 /nfs/dbraw/zinc/23/69/69/569236969.db2.gz DMUZVZUSTRQFKO-CYBMUJFWSA-N 1 0 401.320 3.736 50 0 HHAARO O=S1(=O)CC[C@]2(C1)C[C@@H]([NH2+]Cc1ccc(Oc3cc(F)cc(F)c3)cc1)CCO2 ZINC000170592037 569240708 /nfs/dbraw/zinc/24/07/08/569240708.db2.gz HUVCSEQOPXJLRC-GHTZIAJQSA-N 1 0 423.481 3.583 50 0 HHAARO O=C1[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1c1ccccc1C(F)(F)F ZINC000170597912 569242221 /nfs/dbraw/zinc/24/22/21/569242221.db2.gz SSEARHHEKROFID-QGZVFWFLSA-N 1 0 404.436 3.596 50 0 HHAARO O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000170610648 569245290 /nfs/dbraw/zinc/24/52/90/569245290.db2.gz QZBGWHXOWHIDJF-YADHBBJMSA-N 1 0 423.582 3.802 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000252467349 569287136 /nfs/dbraw/zinc/28/71/36/569287136.db2.gz FJNSNQCJKHTLOS-DHIUTWEWSA-N 1 0 406.574 3.724 50 0 HHAARO COc1cc(-c2noc(C[N@H+](C(C)C)[C@H]3CCCC[C@H]3O)n2)ccc1OC(F)F ZINC000252477335 569288299 /nfs/dbraw/zinc/28/82/99/569288299.db2.gz MFWWLKNNZOSBRR-LSDHHAIUSA-N 1 0 411.449 3.861 50 0 HHAARO Cc1cc(CN2CCC([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)on1 ZINC000252488131 569289477 /nfs/dbraw/zinc/28/94/77/569289477.db2.gz ILBUDUARSLYLFP-UHFFFAOYSA-N 1 0 408.468 3.788 50 0 HHAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)nc1 ZINC000252488832 569289488 /nfs/dbraw/zinc/28/94/88/569289488.db2.gz IZYYZYGCVICMJU-UHFFFAOYSA-N 1 0 404.480 3.887 50 0 HHAARO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000195529217 569311973 /nfs/dbraw/zinc/31/19/73/569311973.db2.gz ITMATJVKPFZWAI-VIZSFHNOSA-N 1 0 413.606 3.675 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)ccc1Br ZINC000253415742 569367105 /nfs/dbraw/zinc/36/71/05/569367105.db2.gz RMAZQVBCSWZSOJ-ICSRJNTNSA-N 1 0 402.336 3.731 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@H]2[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]2C)n(C(C)(C)C)n1 ZINC000253417382 569367416 /nfs/dbraw/zinc/36/74/16/569367416.db2.gz SBSQIYPSGJBGMP-ZSZQSSIHSA-N 1 0 421.586 3.509 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000002418252 569397579 /nfs/dbraw/zinc/39/75/79/569397579.db2.gz PAKVMWRXCZGXBR-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO CC[C@@H](C(=O)Nc1cccc(OC)c1)[NH+]1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013353464 569411238 /nfs/dbraw/zinc/41/12/38/569411238.db2.gz SOYKFOSHRMINEH-SVMVAKDDSA-N 1 0 415.578 3.629 50 0 HHAARO Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C[NH2+]CCc1nncn1C ZINC000078869815 569420926 /nfs/dbraw/zinc/42/09/26/569420926.db2.gz ZVBMMCCGCSOAIH-UHFFFAOYSA-N 1 0 413.740 3.661 50 0 HHAARO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000078969705 569422442 /nfs/dbraw/zinc/42/24/42/569422442.db2.gz JXZWVEUXGSBXNL-UYAOXDASSA-N 1 0 411.594 3.770 50 0 HHAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2ccc(Cl)nc2SC)CC1 ZINC000079054615 569425807 /nfs/dbraw/zinc/42/58/07/569425807.db2.gz TYWNJSPCKHJKOL-UHFFFAOYSA-N 1 0 418.994 3.524 50 0 HHAARO COc1ccc(C[NH+]2CCC(NC(=O)c3cn(C)c4ccccc34)CC2)cc1OC ZINC000079481527 569431830 /nfs/dbraw/zinc/43/18/30/569431830.db2.gz ZMTBSLUZXCNRRP-UHFFFAOYSA-N 1 0 407.514 3.590 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603482 571091175 /nfs/dbraw/zinc/09/11/75/571091175.db2.gz BSUATNNUOBLKAC-UHFFFAOYSA-N 1 0 408.546 3.595 50 0 HHAARO CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1cnn(-c2ccccc2)c1 ZINC000008748616 571111628 /nfs/dbraw/zinc/11/16/28/571111628.db2.gz RAPBHMHIJRNPSF-UHFFFAOYSA-N 1 0 403.530 3.539 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000040070937 571151403 /nfs/dbraw/zinc/15/14/03/571151403.db2.gz DXLUSBOIMBGNPA-DEOSSOPVSA-N 1 0 417.553 3.904 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCCN(C)c3ccccc3)c(C)c2)CC1 ZINC000040103854 571164696 /nfs/dbraw/zinc/16/46/96/571164696.db2.gz HMVWSQNNGXABFL-UHFFFAOYSA-N 1 0 409.578 3.785 50 0 HHAARO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000040121268 571177244 /nfs/dbraw/zinc/17/72/44/571177244.db2.gz GVFJKWVZCYIVRE-LSDHHAIUSA-N 1 0 402.564 3.829 50 0 HHAARO CC(C)(C)CC[NH+]1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 ZINC000040157762 571204100 /nfs/dbraw/zinc/20/41/00/571204100.db2.gz UBWKGQOWMOELOK-UHFFFAOYSA-N 1 0 421.998 3.593 50 0 HHAARO C[NH+](C)CCCNC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O ZINC000008990779 571206627 /nfs/dbraw/zinc/20/66/27/571206627.db2.gz SJYBSEBBKJJTET-QGZVFWFLSA-N 1 0 405.336 3.745 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000245343319 571226118 /nfs/dbraw/zinc/22/61/18/571226118.db2.gz LTNFSNGXIZXJMD-IRLDBZIGSA-N 1 0 421.589 3.741 50 0 HHAARO COc1ccccc1OCCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000069439358 571228080 /nfs/dbraw/zinc/22/80/80/571228080.db2.gz XYLIUCCNTRYXNG-UHFFFAOYSA-N 1 0 403.910 3.508 50 0 HHAARO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccc2)C3)c1C ZINC000069848258 571246984 /nfs/dbraw/zinc/24/69/84/571246984.db2.gz KEIISDYZZYOWGU-QGZVFWFLSA-N 1 0 403.530 3.662 50 0 HHAARO CC[NH+](CC)C[C@H](O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000009968097 571293176 /nfs/dbraw/zinc/29/31/76/571293176.db2.gz IWOHPWCTEBTNDW-IBGZPJMESA-N 1 0 400.523 3.868 50 0 HHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1I ZINC000009992034 571293830 /nfs/dbraw/zinc/29/38/30/571293830.db2.gz GYUOCYHJILHCNS-UHFFFAOYSA-N 1 0 420.294 3.817 50 0 HHAARO CSc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010333542 571300576 /nfs/dbraw/zinc/30/05/76/571300576.db2.gz BEHSGJIFTSJCNN-OAQYLSRUSA-N 1 0 407.539 3.919 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010335647 571300822 /nfs/dbraw/zinc/30/08/22/571300822.db2.gz BJQHZNPRKKTSQL-QHCPKHFHSA-N 1 0 410.539 3.964 50 0 HHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cccc(F)c1)C2 ZINC000034898534 571316681 /nfs/dbraw/zinc/31/66/81/571316681.db2.gz CJRICDWFFAZKLB-PKOBYXMFSA-N 1 0 400.542 3.993 50 0 HHAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036344411 571317445 /nfs/dbraw/zinc/31/74/45/571317445.db2.gz ILJBWGBJVXRBET-NRFANRHFSA-N 1 0 405.498 3.825 50 0 HHAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000011784282 962190299 /nfs/dbraw/zinc/19/02/99/962190299.db2.gz AMRHSHCXFPAKSN-OAQYLSRUSA-N 1 0 421.545 3.820 50 0 HHAARO CC(C)OCCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c32)C1 ZINC000011787731 962190573 /nfs/dbraw/zinc/19/05/73/962190573.db2.gz ICWCEZPPSSNQKF-SFHVURJKSA-N 1 0 411.571 3.768 50 0 HHAARO CCOc1ccccc1[C@@H]1C[C@H]2CN(C3Cc4ccccc4C3)C(=O)[C@]23CCC[N@H+]13 ZINC000011840222 962200967 /nfs/dbraw/zinc/20/09/67/962200967.db2.gz LZDFCHCHBJIWBD-CHZKFRDHSA-N 1 0 402.538 3.991 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O ZINC000012092953 962236760 /nfs/dbraw/zinc/23/67/60/962236760.db2.gz VNQPVTCILDKDOB-QFIPXVFZSA-N 1 0 405.922 3.880 50 0 HHAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](CCCn2cccn2)CC1 ZINC000012315809 962270310 /nfs/dbraw/zinc/27/03/10/962270310.db2.gz SOSXSLHHKGXIAZ-UHFFFAOYSA-N 1 0 405.502 3.811 50 0 HHAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)cc2)c1 ZINC000012432423 962279819 /nfs/dbraw/zinc/27/98/19/962279819.db2.gz URCXIXFRWQEYRK-NRFANRHFSA-N 1 0 404.514 3.946 50 0 HHAARO C[C@H]1CN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CCN1C ZINC000012468047 962284637 /nfs/dbraw/zinc/28/46/37/962284637.db2.gz YQCITNSPUXVDIP-NRFANRHFSA-N 1 0 421.585 3.549 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012710792 962316181 /nfs/dbraw/zinc/31/61/81/962316181.db2.gz VYIOPDGVDRTGAK-VWLOTQADSA-N 1 0 408.590 3.527 50 0 HHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014531484 962525401 /nfs/dbraw/zinc/52/54/01/962525401.db2.gz MNOQXCSBOBZGGB-UHFFFAOYSA-N 1 0 403.482 3.862 50 0 HHAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1c[nH]c3ccccc13)C2 ZINC000014733284 962563562 /nfs/dbraw/zinc/56/35/62/962563562.db2.gz SLNZXNLQOASODI-LJQANCHMSA-N 1 0 419.573 3.607 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1OC)C2 ZINC000014752282 962567822 /nfs/dbraw/zinc/56/78/22/962567822.db2.gz KLPXAOFJXNHNQF-FQEVSTJZSA-N 1 0 424.589 3.617 50 0 HHAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014754570 962569012 /nfs/dbraw/zinc/56/90/12/962569012.db2.gz JLYXVYARVLCERC-KRWDZBQOSA-N 1 0 411.571 3.820 50 0 HHAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000014963146 962614532 /nfs/dbraw/zinc/61/45/32/962614532.db2.gz VISQSUONZIIZHG-NRFANRHFSA-N 1 0 413.606 3.774 50 0 HHAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000014967073 962614621 /nfs/dbraw/zinc/61/46/21/962614621.db2.gz GDDWATKVBRSLTD-JOCHJYFZSA-N 1 0 411.594 3.758 50 0 HHAARO CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CC[NH+](C1CCSCC1)CC2 ZINC000014991735 962618857 /nfs/dbraw/zinc/61/88/57/962618857.db2.gz WNNBTLJTGHVJJH-YADHBBJMSA-N 1 0 402.604 3.902 50 0 HHAARO CCOc1ccc2nc(N3CCC[C@@H]([NH2+]CCc4cscn4)CC3)nc(C)c2c1 ZINC000015068891 962647694 /nfs/dbraw/zinc/64/76/94/962647694.db2.gz GAMZWIGHHQNFTD-QGZVFWFLSA-N 1 0 411.575 3.985 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)c1OC ZINC000015072450 962648167 /nfs/dbraw/zinc/64/81/67/962648167.db2.gz DNBQEDOZVFGLND-NQIIRXRSSA-N 1 0 412.505 3.970 50 0 HHAARO CN(Cc1nc(-c2ccc(Cl)cc2)no1)CC1([NH+]2CCOCC2)CCCCC1 ZINC000020323762 963387135 /nfs/dbraw/zinc/38/71/35/963387135.db2.gz XMVIQKDWRGOQKN-UHFFFAOYSA-N 1 0 404.942 3.857 50 0 HHAARO Cc1cccn2c(C[NH2+]C[C@@H]3OCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000020877594 963399811 /nfs/dbraw/zinc/39/98/11/963399811.db2.gz YBVBBHPWXAYGLS-QFIPXVFZSA-N 1 0 418.541 3.672 50 0 HHAARO CCOc1ccc2nc(N3CCC(N4CC[C@@H]([NH+](CC)CC)C4)CC3)nc(C)c2c1 ZINC000020998963 963410484 /nfs/dbraw/zinc/41/04/84/963410484.db2.gz RIATUHRRKOIFDC-HXUWFJFHSA-N 1 0 411.594 3.722 50 0 HHAARO O=C(/C=C/c1ccncc1)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055054473 965746669 /nfs/dbraw/zinc/74/66/69/965746669.db2.gz BBXYBEHOABOWPP-WMWRJIBUSA-N 1 0 410.949 3.561 50 0 HHAARO COCC[NH+]1CCC(CN(Cc2csc(C(C)=O)c2)Cc2ccncc2)CC1 ZINC000055198220 965781429 /nfs/dbraw/zinc/78/14/29/965781429.db2.gz KLNCGVSOPHFPEI-UHFFFAOYSA-N 1 0 401.576 3.706 50 0 HHAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccc3nonc3c2)CC1)N1CCCCC1 ZINC000055254011 965795964 /nfs/dbraw/zinc/79/59/64/965795964.db2.gz QKBUYCBGCNSPBP-UHFFFAOYSA-N 1 0 420.513 3.892 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000039551437 966501138 /nfs/dbraw/zinc/50/11/38/966501138.db2.gz QKEGFQFVVHLSAX-RXVVDRJESA-N 1 0 421.919 3.876 50 0 HHAARO COc1ccc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000067692312 968784036 /nfs/dbraw/zinc/78/40/36/968784036.db2.gz RSBHPXHPAUZXDZ-VWLOTQADSA-N 1 0 416.569 3.963 50 0 HHAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@@H](C)O1 ZINC000084706107 969037711 /nfs/dbraw/zinc/03/77/11/969037711.db2.gz SYXJJCPLCGFMTF-OUONAIIESA-N 1 0 413.381 3.624 50 0 HHAARO CC[NH+](CC)CCSC1=NC(=O)[C@H](C(c2ccccc2)c2ccccc2)C(=O)N1 ZINC000103424803 969200144 /nfs/dbraw/zinc/20/01/44/969200144.db2.gz BZHHSLXWKZIVPX-UHFFFAOYSA-N 1 0 409.555 3.522 50 0 HHAARO C[C@@H](C1CCN(C(=O)CN2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1)[NH+]1CCCC1 ZINC000104454271 969201718 /nfs/dbraw/zinc/20/17/18/969201718.db2.gz PAVVRHKDIDMNTM-ROUUACIJSA-N 1 0 419.997 3.646 50 0 HHAARO O=C(c1ccccc1OC[C@H]1CCC[N@@H+](C2CCCCCC2)C1)N1CCOCC1 ZINC000169765103 970472943 /nfs/dbraw/zinc/47/29/43/970472943.db2.gz CMTKCXMBSJLLKL-FQEVSTJZSA-N 1 0 400.563 3.973 50 0 HHAARO Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]([N@H+](Cc2ccccc2)C2CC2)CCO3)n(C)n1 ZINC000169776636 970478457 /nfs/dbraw/zinc/47/84/57/970478457.db2.gz WKIGORJNDJTPEB-QFIPXVFZSA-N 1 0 422.573 3.547 50 0 HHAARO Cc1nnc([C@@H]2C[N@@H+](C)CC23CCN(C(=O)Nc2ccc(C)cc2Cl)CC3)o1 ZINC000257175024 970616047 /nfs/dbraw/zinc/61/60/47/970616047.db2.gz NBYMNOLZUFKDAB-HNNXBMFYSA-N 1 0 403.914 3.683 50 0 HHAARO Cc1nnc([C@H]2CC3(CN2C(=O)c2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257184514 970621099 /nfs/dbraw/zinc/62/10/99/970621099.db2.gz IOXRDQXWVYRANZ-OAQYLSRUSA-N 1 0 417.513 3.643 50 0 HHAARO COc1cc2c(cc1OC)CN(C(=O)CC[N@H+]1Cc3cc(C)ccc3O[C@@H](C)C1)CC2 ZINC000299774756 970723531 /nfs/dbraw/zinc/72/35/31/970723531.db2.gz IDXQIOWLJWLYHW-SFHVURJKSA-N 1 0 424.541 3.570 50 0 HHAARO COc1cc2c(cc1OC)CN(C(=O)CC[N@H+]1Cc3cc(C)ccc3O[C@H](C)C1)CC2 ZINC000299774751 970723595 /nfs/dbraw/zinc/72/35/95/970723595.db2.gz IDXQIOWLJWLYHW-GOSISDBHSA-N 1 0 424.541 3.570 50 0 HHAARO CCOc1ccc(C(=O)N2C[C@H](c3nnc(C(C)C)o3)C3(C2)CC[NH+](C)CC3)cc1 ZINC000409420032 972890911 /nfs/dbraw/zinc/89/09/11/972890911.db2.gz MHCPAFMAYWFKCY-LJQANCHMSA-N 1 0 412.534 3.543 50 0 HHAARO O=C(c1ccccn1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169748763 1072019367 /nfs/dbraw/zinc/01/93/67/1072019367.db2.gz BGDOAFUTRSDFKH-JOCHJYFZSA-N 1 0 405.542 3.900 50 0 HHAARO COc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1 ZINC000001179487 132240798 /nfs/dbraw/zinc/24/07/98/132240798.db2.gz WZVQEUGVZKZGAO-UHFFFAOYSA-N 1 0 421.585 3.873 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc43)cc2)CC1 ZINC000005049459 132299428 /nfs/dbraw/zinc/29/94/28/132299428.db2.gz AYLSRRUIJRRKCC-UHFFFAOYSA-N 1 0 404.539 3.718 50 0 HHAARO CC[N@H+](CCCNC(=O)CCC(=O)N1C[C@H](C)Oc2ccccc21)Cc1ccccc1 ZINC000006798322 132317216 /nfs/dbraw/zinc/31/72/16/132317216.db2.gz NSXNMKUVSIUFLU-FQEVSTJZSA-N 1 0 423.557 3.609 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000012217486 132356892 /nfs/dbraw/zinc/35/68/92/132356892.db2.gz MEGFKJRYQDCSBB-NRFANRHFSA-N 1 0 413.512 3.977 50 0 HHAARO S=c1oc(C[NH+]2CCCCC2)nn1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000012787137 132367319 /nfs/dbraw/zinc/36/73/19/132367319.db2.gz IJZRPORGOPOKPB-UHFFFAOYSA-N 1 0 407.971 3.625 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1csc(Cc2ccccc2)n1 ZINC000025864471 132488223 /nfs/dbraw/zinc/48/82/23/132488223.db2.gz DLHGINKPDNVLMS-UHFFFAOYSA-N 1 0 420.582 3.676 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1ccsc1 ZINC000031983242 520866349 /nfs/dbraw/zinc/86/63/49/520866349.db2.gz RVZMWBGVXPQMEH-FUHIMQAGSA-N 1 0 416.591 3.570 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1cccc(Cl)c1 ZINC000032503333 521744966 /nfs/dbraw/zinc/74/49/66/521744966.db2.gz HEVDNFKKDMFKCJ-FPOVZHCZSA-N 1 0 418.006 3.931 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(OC)ccc3ccccc32)CN1Cc1ccccc1 ZINC000032577807 521745029 /nfs/dbraw/zinc/74/50/29/521745029.db2.gz JFSUSXQFNQWCFL-URXFXBBRSA-N 1 0 417.553 3.717 50 0 HHAARO COc1ccccc1CC[NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000020600265 524421455 /nfs/dbraw/zinc/42/14/55/524421455.db2.gz FCHZTFGFTWDEQC-UHFFFAOYSA-N 1 0 420.557 4.000 50 0 HHAARO Cc1noc2ncnc(NCCC[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c12 ZINC000020575188 526688850 /nfs/dbraw/zinc/68/88/50/526688850.db2.gz JCWHFMAIIRLYAC-UHFFFAOYSA-N 1 0 400.914 3.512 50 0 HHAARO O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000032355281 527618301 /nfs/dbraw/zinc/61/83/01/527618301.db2.gz IYJZXWPNBSXZCL-JLHYYAGUSA-N 1 0 413.521 3.848 50 0 HHAARO COCCOc1ccc2c(c1)ncn2-c1ccc2cccc(N3CCC([NH3+])CC3)c2n1 ZINC000006717217 536677786 /nfs/dbraw/zinc/67/77/86/536677786.db2.gz DEEOXSOLTLIWMG-UHFFFAOYSA-N 1 0 417.513 3.526 50 0 in-vitro HHAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)c(C)c3)c(N3CCN(C)CC3)c2cc1OC ZINC000002693357 536895160 /nfs/dbraw/zinc/89/51/60/536895160.db2.gz ONTDZDWWQZDGPS-UHFFFAOYSA-N 1 0 419.525 3.852 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(I)cc1 ZINC000001642602 557278335 /nfs/dbraw/zinc/27/83/35/557278335.db2.gz HELCSESNNDZLFM-UHFFFAOYSA-N 1 0 420.294 3.686 50 0 in-vitro HHAARO CC[NH+](CC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000001743933 557284271 /nfs/dbraw/zinc/28/42/71/557284271.db2.gz RXLALFUZCDDYRY-JOCHJYFZSA-N 1 0 412.555 3.738 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000002293210 557334951 /nfs/dbraw/zinc/33/49/51/557334951.db2.gz AAAPTRVNSYQELA-UHFFFAOYSA-N 1 0 419.451 3.877 50 0 HHAARO Nc1c(NC(=O)NCC[NH+]2CCCCC2)c(-c2ccccc2)nn1-c1ccc(F)cc1 ZINC000034785146 557454711 /nfs/dbraw/zinc/45/47/11/557454711.db2.gz RFTVVEAFKQOVDN-UHFFFAOYSA-N 1 0 422.508 3.868 50 0 HHAARO CCCCCC(=O)N1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC000034912436 557486787 /nfs/dbraw/zinc/48/67/87/557486787.db2.gz IFMFWHWNLZMMSR-UHFFFAOYSA-N 1 0 413.606 3.928 50 0 HHAARO COc1cc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)cc1C ZINC000004126995 557517427 /nfs/dbraw/zinc/51/74/27/557517427.db2.gz FWOQHRQGZFOYSB-UHFFFAOYSA-N 1 0 418.603 3.587 50 0 HHAARO CCOC(=O)C1CCN(C(=O)C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000004551102 557566154 /nfs/dbraw/zinc/56/61/54/557566154.db2.gz KXLBDZHMRJPJKP-UHFFFAOYSA-N 1 0 408.542 3.854 50 0 HHAARO COc1ccc(CC[N@H+](C)CCC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000004725259 557587247 /nfs/dbraw/zinc/58/72/47/557587247.db2.gz LDRMSOXBPHZHFR-UHFFFAOYSA-N 1 0 421.335 3.969 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000005715005 557669979 /nfs/dbraw/zinc/66/99/79/557669979.db2.gz JPTRSILQIARTDQ-AWEZNQCLSA-N 1 0 413.356 3.547 50 0 HHAARO CCOc1ccc([C@@]2(O)C[N+](c3cc(OC)ccc3OC)=C3CCCCCN32)cc1 ZINC000002974541 557776008 /nfs/dbraw/zinc/77/60/08/557776008.db2.gz KDUKPRYCXUBAKM-DEOSSOPVSA-N 1 0 411.522 3.753 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000008654591 557798818 /nfs/dbraw/zinc/79/88/18/557798818.db2.gz JHCWGQKLJOGGAR-UHFFFAOYSA-N 1 0 421.929 3.854 50 0 HHAARO COc1ccc(N[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)cc1OC ZINC000011754011 558272732 /nfs/dbraw/zinc/27/27/32/558272732.db2.gz ZLGMWTJAGWLSIY-OAQYLSRUSA-N 1 0 410.562 3.640 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3nonc3c2)CC1)c1cccc(F)c1 ZINC000011769576 558274236 /nfs/dbraw/zinc/27/42/36/558274236.db2.gz LWGFHCNDJCYMQW-UHFFFAOYSA-N 1 0 420.448 3.648 50 0 HHAARO O=C(CCc1nc(-c2ccccc2)no1)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011769985 558274327 /nfs/dbraw/zinc/27/43/27/558274327.db2.gz QMSWPEWXAGOUQK-JOCHJYFZSA-N 1 0 418.541 3.883 50 0 HHAARO Cn1cnnc1Sc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)o1 ZINC000019792436 558283332 /nfs/dbraw/zinc/28/33/32/558283332.db2.gz YCHSHAIJUMJNFY-LJQANCHMSA-N 1 0 411.575 3.698 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011821352 558284467 /nfs/dbraw/zinc/28/44/67/558284467.db2.gz HUBODLGTDVJOBO-SANMLTNESA-N 1 0 421.585 3.934 50 0 HHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccc(C)n3)CC2)c1 ZINC000011873309 558291143 /nfs/dbraw/zinc/29/11/43/558291143.db2.gz UAUZDURRCJZRKM-UHFFFAOYSA-N 1 0 409.530 3.678 50 0 HHAARO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)ccc1F ZINC000019841070 558294039 /nfs/dbraw/zinc/29/40/39/558294039.db2.gz KFUBOLGRZBKLLL-NRFANRHFSA-N 1 0 401.501 3.760 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842050 558294312 /nfs/dbraw/zinc/29/43/12/558294312.db2.gz UNWXPWPWYIOSRQ-OAQYLSRUSA-N 1 0 401.501 3.760 50 0 HHAARO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)no2)cc1 ZINC000011905211 558295817 /nfs/dbraw/zinc/29/58/17/558295817.db2.gz DEUUFNIMVICVOQ-JOCHJYFZSA-N 1 0 421.497 3.926 50 0 HHAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011910978 558296901 /nfs/dbraw/zinc/29/69/01/558296901.db2.gz YHOONRXVGGIWAB-SFHVURJKSA-N 1 0 415.541 3.591 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cscn2)CC1 ZINC000011932753 558297745 /nfs/dbraw/zinc/29/77/45/558297745.db2.gz DDWMOHLMMCSFNQ-NRFANRHFSA-N 1 0 413.587 3.985 50 0 HHAARO CCn1c2ccccc2c2cc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)ccc21 ZINC000019872298 558299819 /nfs/dbraw/zinc/29/98/19/558299819.db2.gz KTMXNIGKZNFWCF-UHFFFAOYSA-N 1 0 407.539 3.794 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000011936475 558300402 /nfs/dbraw/zinc/30/04/02/558300402.db2.gz KIDWAHSOZDQFTR-GOSISDBHSA-N 1 0 419.481 3.909 50 0 HHAARO O[C@H](COc1ccc(OCc2ccccc2)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019898678 558304624 /nfs/dbraw/zinc/30/46/24/558304624.db2.gz LEQITQQPXXNOSW-DEOSSOPVSA-N 1 0 418.537 3.828 50 0 HHAARO CCCCOc1c(I)cc(C[NH2+]CCN(C)C)cc1OCC ZINC000019922781 558307354 /nfs/dbraw/zinc/30/73/54/558307354.db2.gz ZVTKAGYOTLTGEI-UHFFFAOYSA-N 1 0 420.335 3.520 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019956655 558315019 /nfs/dbraw/zinc/31/50/19/558315019.db2.gz YKAABNBEPBHASU-HXUWFJFHSA-N 1 0 423.557 3.546 50 0 HHAARO CC1=C(CC[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 ZINC000012054347 558315123 /nfs/dbraw/zinc/31/51/23/558315123.db2.gz JHNXZDPRHOVKEL-SFHVURJKSA-N 1 0 401.599 3.886 50 0 HHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+]([C@H]2CCCC(C)(C)C2)CC1 ZINC000012092185 558324497 /nfs/dbraw/zinc/32/44/97/558324497.db2.gz CWFYGKSBPLIVAP-SFHVURJKSA-N 1 0 418.578 3.883 50 0 HHAARO COc1ccccc1/C=C/C[NH+]1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000020119861 558337070 /nfs/dbraw/zinc/33/70/70/558337070.db2.gz LBHNGSXGOJSRJO-VMPITWQZSA-N 1 0 417.513 3.889 50 0 HHAARO COCCN(Cc1ccc(COC)o1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020204745 558346581 /nfs/dbraw/zinc/34/65/81/558346581.db2.gz CZTGEGCYMNDDNT-HXUWFJFHSA-N 1 0 412.574 3.754 50 0 HHAARO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@@H]2CCO)c(C)c1C ZINC000020211595 558347713 /nfs/dbraw/zinc/34/77/13/558347713.db2.gz RZSYFHNSQOFIGK-NRFANRHFSA-N 1 0 416.537 3.529 50 0 HHAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CCc2ccccc2Cl)cc1 ZINC000012218629 558354856 /nfs/dbraw/zinc/35/48/56/558354856.db2.gz IBNHORSQRWZMJI-HXUWFJFHSA-N 1 0 414.933 3.840 50 0 HHAARO Cc1nc(-c2ccccc2)sc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000020426529 558362146 /nfs/dbraw/zinc/36/21/46/558362146.db2.gz HGDBRQOKVOGLNX-UHFFFAOYSA-N 1 0 412.603 3.799 50 0 HHAARO C[C@H](CN1CC[NH+](Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1 ZINC000020432299 558362629 /nfs/dbraw/zinc/36/26/29/558362629.db2.gz VSMFDKKIQXPUEK-HXUWFJFHSA-N 1 0 404.514 3.528 50 0 HHAARO O=C(c1ccco1)N1CCC[C@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000012283187 558365399 /nfs/dbraw/zinc/36/53/99/558365399.db2.gz ZRYYZRYBBUKQTH-IBGZPJMESA-N 1 0 400.544 3.760 50 0 HHAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC000020452616 558366871 /nfs/dbraw/zinc/36/68/71/558366871.db2.gz JSSUDFYYXWDONC-DEOSSOPVSA-N 1 0 413.993 3.878 50 0 HHAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000012299335 558369297 /nfs/dbraw/zinc/36/92/97/558369297.db2.gz IYKQQVYKRGEGBZ-NRFANRHFSA-N 1 0 416.522 3.516 50 0 HHAARO Cc1cn2c(C(=O)N(C)C[C@H]3CCC[N@H+](CCc4ccccc4F)C3)csc2n1 ZINC000012302464 558372141 /nfs/dbraw/zinc/37/21/41/558372141.db2.gz MCHJQKPCCKVFAU-QGZVFWFLSA-N 1 0 414.550 3.870 50 0 HHAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000012306578 558375259 /nfs/dbraw/zinc/37/52/59/558375259.db2.gz XDWZQSFXSXZQIB-NRFANRHFSA-N 1 0 416.525 3.966 50 0 HHAARO OC[C@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012314590 558378093 /nfs/dbraw/zinc/37/80/93/558378093.db2.gz CXJHBAATRGEOQL-IBGZPJMESA-N 1 0 405.498 3.531 50 0 HHAARO COC(=O)c1cccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000012315021 558378336 /nfs/dbraw/zinc/37/83/36/558378336.db2.gz SKJWADKFVCGYOS-UHFFFAOYSA-N 1 0 412.505 3.639 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012387171 558395826 /nfs/dbraw/zinc/39/58/26/558395826.db2.gz GMVKFZRLCQIKMV-NRFANRHFSA-N 1 0 402.579 3.613 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]CCN2CCOC2=O)cc1F ZINC000012387258 558396113 /nfs/dbraw/zinc/39/61/13/558396113.db2.gz XTEIXYYOGZHNNQ-UHFFFAOYSA-N 1 0 424.476 3.537 50 0 HHAARO COc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)ccc1OC1CC[NH+](C)CC1 ZINC000012387804 558396642 /nfs/dbraw/zinc/39/66/42/558396642.db2.gz LURCTNDLPHTZBX-LJQANCHMSA-N 1 0 423.435 3.597 50 0 HHAARO CCOc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1 ZINC000012442787 558412617 /nfs/dbraw/zinc/41/26/17/558412617.db2.gz ZCJVQSOPRWDGGT-UHFFFAOYSA-N 1 0 405.502 3.766 50 0 HHAARO CSCC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000012460079 558419138 /nfs/dbraw/zinc/41/91/38/558419138.db2.gz UJQGBVNQAVRPSD-GOSISDBHSA-N 1 0 413.587 3.996 50 0 HHAARO COc1ccc(CC2(CO)CC[NH+](Cc3cnn(-c4ccccc4OC)c3)CC2)cc1 ZINC000012463438 558419639 /nfs/dbraw/zinc/41/96/39/558419639.db2.gz VAEUHIIPPKZVPF-UHFFFAOYSA-N 1 0 421.541 3.707 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020908617 558421712 /nfs/dbraw/zinc/42/17/12/558421712.db2.gz UGCGHCLEVHEWLA-QFIPXVFZSA-N 1 0 402.558 3.543 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccccc2)N1CC1(c2ccccc2)CCOCC1 ZINC000012512557 558424251 /nfs/dbraw/zinc/42/42/51/558424251.db2.gz BYQFOMZYCXGCCD-QHCPKHFHSA-N 1 0 422.569 3.785 50 0 HHAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020993883 558426529 /nfs/dbraw/zinc/42/65/29/558426529.db2.gz HOXXHZMKITYHDE-QFIPXVFZSA-N 1 0 421.545 3.673 50 0 HHAARO CCn1cc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccc4)c3)CC2)cn1 ZINC000012573740 558430015 /nfs/dbraw/zinc/43/00/15/558430015.db2.gz WACMJJDOSNOZIP-UHFFFAOYSA-N 1 0 418.541 3.876 50 0 HHAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)o1 ZINC000012586595 558434149 /nfs/dbraw/zinc/43/41/49/558434149.db2.gz UPNQFMNVZIGERK-QFIPXVFZSA-N 1 0 412.559 3.767 50 0 HHAARO O=C(C1=CCCC1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012597267 558438204 /nfs/dbraw/zinc/43/82/04/558438204.db2.gz PWRYSUROUOUIMZ-RUZDIDTESA-N 1 0 408.586 3.984 50 0 HHAARO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4cnc(N)nc4)C3)cc2)c1 ZINC000012703266 558448524 /nfs/dbraw/zinc/44/85/24/558448524.db2.gz CCHYSMBBVDACRD-FQEVSTJZSA-N 1 0 417.513 3.585 50 0 HHAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccc(Cl)cc2s1 ZINC000004359195 558449609 /nfs/dbraw/zinc/44/96/09/558449609.db2.gz SPFODEXMJDIVPK-KRWDZBQOSA-N 1 0 417.918 3.684 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000004359320 558451148 /nfs/dbraw/zinc/45/11/48/558451148.db2.gz WGFRYHGAWSXEDH-UHFFFAOYSA-N 1 0 417.918 3.945 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCOC(C)C)c1 ZINC000012709306 558451625 /nfs/dbraw/zinc/45/16/25/558451625.db2.gz FKLVSKWGDAECIO-UHFFFAOYSA-N 1 0 404.551 3.636 50 0 HHAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012713435 558453851 /nfs/dbraw/zinc/45/38/51/558453851.db2.gz FFEVATIZFAXHBO-XMMPIXPASA-N 1 0 411.498 3.812 50 0 HHAARO C[NH+](C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(F)cc2s1 ZINC000004359605 558456570 /nfs/dbraw/zinc/45/65/70/558456570.db2.gz PBPGKHHCZJWZQU-UHFFFAOYSA-N 1 0 415.490 3.805 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3F)s2)cc1 ZINC000004359769 558457048 /nfs/dbraw/zinc/45/70/48/558457048.db2.gz SFMYXNLKESGSOP-UHFFFAOYSA-N 1 0 415.490 3.821 50 0 HHAARO CCc1ccc([C@@H](C)[NH2+]Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 ZINC000013039867 558506331 /nfs/dbraw/zinc/50/63/31/558506331.db2.gz AYTMVVOWBVRLHY-MRXNPFEDSA-N 1 0 414.575 3.720 50 0 HHAARO CC[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000022787446 558511296 /nfs/dbraw/zinc/51/12/96/558511296.db2.gz WWVZESQVRBSWNQ-KRWDZBQOSA-N 1 0 408.571 3.852 50 0 HHAARO O[C@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022860279 558517447 /nfs/dbraw/zinc/51/74/47/558517447.db2.gz HQTANMYTJJULQY-SANMLTNESA-N 1 0 416.565 3.971 50 0 HHAARO COCc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914465 558521189 /nfs/dbraw/zinc/52/11/89/558521189.db2.gz YXPAOVPHNNTSEM-XMMPIXPASA-N 1 0 409.574 3.628 50 0 HHAARO CC(C)[N@@H+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1CCO ZINC000022919854 558522557 /nfs/dbraw/zinc/52/25/57/558522557.db2.gz ROBMEYMLOXIAHC-DEOSSOPVSA-N 1 0 404.558 3.816 50 0 HHAARO COCC[NH+]1CCN(Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)CC1 ZINC000022932630 558524926 /nfs/dbraw/zinc/52/49/26/558524926.db2.gz QUUTWBYPJVWNSV-UHFFFAOYSA-N 1 0 406.530 3.643 50 0 HHAARO Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](CCO)CC2)cc1 ZINC000022956646 558528011 /nfs/dbraw/zinc/52/80/11/558528011.db2.gz PKWIVSSBPZUJQS-UHFFFAOYSA-N 1 0 413.525 3.510 50 0 HHAARO COc1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1 ZINC000023282453 558547593 /nfs/dbraw/zinc/54/75/93/558547593.db2.gz GPROBVCGWZKAFV-UHFFFAOYSA-N 1 0 406.320 3.950 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4ccccc4)no3)c(C)c2)CC1 ZINC000023793416 558575896 /nfs/dbraw/zinc/57/58/96/558575896.db2.gz DKYPUFCHEZPHAM-UHFFFAOYSA-N 1 0 419.529 3.758 50 0 HHAARO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000013768264 558591306 /nfs/dbraw/zinc/59/13/06/558591306.db2.gz ZVKBSENSURYYII-GMKZXUHWSA-N 1 0 400.563 3.812 50 0 HHAARO CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258859 558593369 /nfs/dbraw/zinc/59/33/69/558593369.db2.gz RGXHXEQOMFBAJA-PXNSSMCTSA-N 1 0 410.587 3.504 50 0 HHAARO CCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(C)cc3)CC1)n2C ZINC000013816125 558596241 /nfs/dbraw/zinc/59/62/41/558596241.db2.gz YIMCEBUNAMVKHA-UHFFFAOYSA-N 1 0 405.546 3.595 50 0 HHAARO CCOC(=O)Nc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000014094523 558619481 /nfs/dbraw/zinc/61/94/81/558619481.db2.gz XMOPAPDNZLLJKW-OAQYLSRUSA-N 1 0 411.502 3.831 50 0 HHAARO COc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)ccc1OCc1c(C)noc1C ZINC000025261910 558636116 /nfs/dbraw/zinc/63/61/16/558636116.db2.gz LCDWBSUZJWNHKS-SFHVURJKSA-N 1 0 410.470 3.809 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000014252646 558650598 /nfs/dbraw/zinc/65/05/98/558650598.db2.gz APYXIUJESMIWBN-UHFFFAOYSA-N 1 0 407.558 3.684 50 0 HHAARO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000026173134 558656786 /nfs/dbraw/zinc/65/67/86/558656786.db2.gz WYTWCMWAKPFZQN-ZWKOTPCHSA-N 1 0 420.557 3.842 50 0 HHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014536162 558658207 /nfs/dbraw/zinc/65/82/07/558658207.db2.gz DVMZLFMHBYPJKW-NRFANRHFSA-N 1 0 404.558 3.786 50 0 HHAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000014539616 558659462 /nfs/dbraw/zinc/65/94/62/558659462.db2.gz WFNZBUDZKHRBPE-SFHVURJKSA-N 1 0 424.545 3.796 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC[C@@H]4CCCO4)c3)c(C)c2)CC1 ZINC000026359627 558659449 /nfs/dbraw/zinc/65/94/49/558659449.db2.gz IRKWGVSOOLCUKK-QHCPKHFHSA-N 1 0 423.557 3.947 50 0 HHAARO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014540353 558659680 /nfs/dbraw/zinc/65/96/80/558659680.db2.gz OSTKRBHOUUXUJR-VQTJNVASSA-N 1 0 414.521 3.965 50 0 HHAARO COCCCNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1C[NH+](C)C ZINC000014878580 558675226 /nfs/dbraw/zinc/67/52/26/558675226.db2.gz KFQHQJWMUWDVDA-UHFFFAOYSA-N 1 0 413.543 3.556 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cc4ccccc4s3)CC2)O1)[C@@H]1CCCO1 ZINC000014885323 558677409 /nfs/dbraw/zinc/67/74/09/558677409.db2.gz BADJWAMMQULYHB-QUCCMNQESA-N 1 0 414.571 3.710 50 0 HHAARO CSc1cccc(NC(=O)COc2ccc(-c3ncccn3)cc2C[NH+](C)C)c1 ZINC000014980045 558690854 /nfs/dbraw/zinc/69/08/54/558690854.db2.gz NUSCTCQTWGKGCP-UHFFFAOYSA-N 1 0 408.527 3.945 50 0 HHAARO O=c1c2c3c(sc2ncn1C1CCCC1)C[C@H]([NH2+]CC1(O)CCCCC1)CC3 ZINC000014992358 558695003 /nfs/dbraw/zinc/69/50/03/558695003.db2.gz XCDOWSJGLAIBTB-OAHLLOKOSA-N 1 0 401.576 3.715 50 0 HHAARO Cc1nc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)OCO4)CC2)nc2ccc(F)cc12 ZINC000014995338 558696097 /nfs/dbraw/zinc/69/60/97/558696097.db2.gz IBNQETWWQKAACQ-SFHVURJKSA-N 1 0 408.477 3.955 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000015063597 558706119 /nfs/dbraw/zinc/70/61/19/558706119.db2.gz MLRWHIWOXVKHMI-XMMPIXPASA-N 1 0 412.505 3.977 50 0 HHAARO C[NH+](C)C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971564 558708257 /nfs/dbraw/zinc/70/82/57/558708257.db2.gz JRWNHMFFAXYRSQ-FUHWJXTLSA-N 1 0 403.935 3.562 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015067245 558710220 /nfs/dbraw/zinc/71/02/20/558710220.db2.gz ABLSGFLPCIFIAL-SCKYHZLTSA-N 1 0 411.590 3.942 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000015068890 558711483 /nfs/dbraw/zinc/71/14/83/558711483.db2.gz PCRNTDYZUZIJQI-FQEVSTJZSA-N 1 0 417.557 3.718 50 0 HHAARO O=C(/C=C/c1ccc(Br)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000029968367 558725067 /nfs/dbraw/zinc/72/50/67/558725067.db2.gz KDJWZZWNKXNZOJ-RMKNXTFCSA-N 1 0 407.352 3.614 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C(=O)N3CCCCC3)c3ccccc3)cc2)CC1 ZINC000015475150 558740795 /nfs/dbraw/zinc/74/07/95/558740795.db2.gz FGFRPGYEFQBCFE-DEOSSOPVSA-N 1 0 406.574 3.994 50 0 HHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCC2)o1 ZINC000015860227 558757912 /nfs/dbraw/zinc/75/79/12/558757912.db2.gz GTOLJQIQJYCRNP-QGZVFWFLSA-N 1 0 407.308 3.683 50 0 HHAARO COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000016363959 558788383 /nfs/dbraw/zinc/78/83/83/558788383.db2.gz QOMBYHUJXZAKPM-UHFFFAOYSA-N 1 0 409.530 3.887 50 0 HHAARO COc1ccc(-c2nc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cs2)cc1OC ZINC000016599892 558796444 /nfs/dbraw/zinc/79/64/44/558796444.db2.gz SHMIHCQXTPATTR-GOSISDBHSA-N 1 0 411.527 3.860 50 0 HHAARO CC(C)[C@@H]([NH2+]CC(=O)NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000016695779 558801202 /nfs/dbraw/zinc/80/12/02/558801202.db2.gz GMSYIZQXQFZONY-RUZDIDTESA-N 1 0 421.541 3.975 50 0 HHAARO CC[NH+]1CCN(CCNc2nc(COC)nc3scc(-c4ccccc4)c32)CC1 ZINC000060277681 558806400 /nfs/dbraw/zinc/80/64/00/558806400.db2.gz HTCVSEROKJBLSE-UHFFFAOYSA-N 1 0 411.575 3.554 50 0 HHAARO Cc1sc2nc(CN3CCOCC3)nc(NCC3([NH+](C)C)CCCCC3)c2c1C ZINC000033010917 558830277 /nfs/dbraw/zinc/83/02/77/558830277.db2.gz IJJTYRMNQOGOAJ-UHFFFAOYSA-N 1 0 417.623 3.817 50 0 HHAARO Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2[nH+]1 ZINC000018254261 558834840 /nfs/dbraw/zinc/83/48/40/558834840.db2.gz ISKKHUSIKPRBKI-UHFFFAOYSA-N 1 0 401.919 3.708 50 0 HHAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1 ZINC000019221256 558851787 /nfs/dbraw/zinc/85/17/87/558851787.db2.gz GMRQTPIFZRPPEU-DEOSSOPVSA-N 1 0 404.558 3.558 50 0 HHAARO CSCCC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055037119 558870331 /nfs/dbraw/zinc/87/03/31/558870331.db2.gz AKFQZPKAIISOFW-SFHVURJKSA-N 1 0 415.525 3.572 50 0 HHAARO CC[NH+](CC)CCn1c(NC(=O)c2ccc(Br)o2)nc2ccccc21 ZINC000010653109 558875643 /nfs/dbraw/zinc/87/56/43/558875643.db2.gz OZQPAHDKJFGVTQ-UHFFFAOYSA-N 1 0 405.296 3.986 50 0 HHAARO COc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)ccc1C ZINC000055269662 558877894 /nfs/dbraw/zinc/87/78/94/558877894.db2.gz XHJZYLIVCQOCBV-QFIPXVFZSA-N 1 0 411.521 3.570 50 0 HHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307911 558878867 /nfs/dbraw/zinc/87/88/67/558878867.db2.gz CWZXMHRGETYTKU-RUZDIDTESA-N 1 0 401.558 3.659 50 0 HHAARO O=C(C[C@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058065882 558897778 /nfs/dbraw/zinc/89/77/78/558897778.db2.gz WBIAMUNDHGLPRS-GHTZIAJQSA-N 1 0 409.555 3.660 50 0 HHAARO COc1ccc(CC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1OC ZINC000058135420 558900835 /nfs/dbraw/zinc/90/08/35/558900835.db2.gz CXXDFMNQZJBKGJ-UHFFFAOYSA-N 1 0 400.544 3.742 50 0 HHAARO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000058438711 558927077 /nfs/dbraw/zinc/92/70/77/558927077.db2.gz MDTVGMANYNHCIN-NRFANRHFSA-N 1 0 420.513 3.504 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccccc2C(F)(F)F)[nH+]1 ZINC000072140572 558929277 /nfs/dbraw/zinc/92/92/77/558929277.db2.gz AYDNFSNEJYSARX-UHFFFAOYSA-N 1 0 407.440 3.636 50 0 HHAARO COc1cccc([C@@]2(C[N@H+](CCCn3ccnc3)Cc3ccncc3)CCOC2)c1 ZINC000063869952 558960328 /nfs/dbraw/zinc/96/03/28/558960328.db2.gz JURYNZMZYSFEDZ-XMMPIXPASA-N 1 0 406.530 3.537 50 0 HHAARO CCOc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000065364721 558975816 /nfs/dbraw/zinc/97/58/16/558975816.db2.gz ZDZLKWQYMYFJDV-UHFFFAOYSA-N 1 0 424.549 3.528 50 0 HHAARO C[C@@H](CN1CC2(CC[NH+](Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1 ZINC000072426659 558978813 /nfs/dbraw/zinc/97/88/13/558978813.db2.gz LCZURGNBKGLBAW-SFHVURJKSA-N 1 0 408.546 3.888 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067601872 558987500 /nfs/dbraw/zinc/98/75/00/558987500.db2.gz IZKNMROCMOXPMQ-UHFFFAOYSA-N 1 0 415.541 3.891 50 0 HHAARO C[C@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(N2CCOC2=O)cc1 ZINC000097033182 558988238 /nfs/dbraw/zinc/98/82/38/558988238.db2.gz OZHRQBYESYDKJN-ZDUSSCGKSA-N 1 0 418.291 3.695 50 0 HHAARO FC(F)(F)Oc1ccc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)cc1 ZINC000067921252 558994734 /nfs/dbraw/zinc/99/47/34/558994734.db2.gz VCEWFORMDXIJMT-UHFFFAOYSA-N 1 0 401.392 3.695 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3nc4ccccc4n3C)C2)cc1 ZINC000076949820 558998845 /nfs/dbraw/zinc/99/88/45/558998845.db2.gz HOPHBPNWKOZLAZ-OAQYLSRUSA-N 1 0 406.574 3.968 50 0 HHAARO CC(C)Cn1c(CC2(CC(=O)N3[C@@H]4CC[C@H]3C[NH2+]C4)CCCC2)nc2cccnc21 ZINC000077485866 559006974 /nfs/dbraw/zinc/00/69/74/559006974.db2.gz MMLUZZPXCFKKRR-KDURUIRLSA-N 1 0 409.578 3.543 50 0 HHAARO CCN(CC(C)(C)C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115630 559039050 /nfs/dbraw/zinc/03/90/50/559039050.db2.gz LXBOAVSCJSVNJO-NRFANRHFSA-N 1 0 400.611 3.653 50 0 HHAARO CN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCCC1 ZINC000082115027 559039057 /nfs/dbraw/zinc/03/90/57/559039057.db2.gz VBBJMQLVDACWLL-QFIPXVFZSA-N 1 0 412.622 3.939 50 0 HHAARO CC(C)c1ccccc1OCCOC[C@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023224724 559062775 /nfs/dbraw/zinc/06/27/75/559062775.db2.gz BJJUCJKMXSKHPE-JOCHJYFZSA-N 1 0 416.537 3.528 50 0 HHAARO C[NH+]1CCC(Cc2noc([C@H]3CCC(=O)N(Cc4ccc(Cl)cc4)C3)n2)CC1 ZINC000091664299 559072842 /nfs/dbraw/zinc/07/28/42/559072842.db2.gz RUWGOYPUQVFEGO-KRWDZBQOSA-N 1 0 402.926 3.514 50 0 HHAARO Cc1ccc(-c2cc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)[nH]n2)o1 ZINC000095362287 559080125 /nfs/dbraw/zinc/08/01/25/559080125.db2.gz GOMHHPMYBVTYEC-CDNPAEQRSA-N 1 0 402.498 3.681 50 0 HHAARO COc1cc(CN(C)Cc2ccoc2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095496715 559081521 /nfs/dbraw/zinc/08/15/21/559081521.db2.gz WWHKPXJHXLDDHX-OAQYLSRUSA-N 1 0 402.535 3.536 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000011614665 559114486 /nfs/dbraw/zinc/11/44/86/559114486.db2.gz LHZMVNABBQZLCS-SFHVURJKSA-N 1 0 400.837 3.692 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000011614666 559114513 /nfs/dbraw/zinc/11/45/13/559114513.db2.gz LHZMVNABBQZLCS-GOSISDBHSA-N 1 0 400.837 3.692 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000248024720 559119541 /nfs/dbraw/zinc/11/95/41/559119541.db2.gz KWNJDAAJXUHYPI-VAMGGRTRSA-N 1 0 411.512 3.850 50 0 HHAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)c3ccccc3)CC2)CC1 ZINC000011662215 559127136 /nfs/dbraw/zinc/12/71/36/559127136.db2.gz ICGYSLWIWFZWSZ-UHFFFAOYSA-N 1 0 406.574 3.530 50 0 HHAARO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1 ZINC000023452185 559175563 /nfs/dbraw/zinc/17/55/63/559175563.db2.gz DSSTWFLJWOPGKQ-SFHVURJKSA-N 1 0 414.513 3.683 50 0 HHAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)no3)nc21 ZINC000011694247 559188410 /nfs/dbraw/zinc/18/84/10/559188410.db2.gz LZPCFPRSDPZPDW-UHFFFAOYSA-N 1 0 408.911 3.853 50 0 HHAARO FC(F)(F)COc1cccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)c1 ZINC000408512857 559212613 /nfs/dbraw/zinc/21/26/13/559212613.db2.gz XSORDCZQDDDPQQ-UHFFFAOYSA-N 1 0 410.440 3.596 50 0 HHAARO Cc1c(O)ccc2c(C)c(CCC(=O)Nc3ccc(OCC[NH+](C)C)cc3)c(=O)oc12 ZINC000409413500 559250600 /nfs/dbraw/zinc/25/06/00/559250600.db2.gz BIXJBHHVLJIQRI-UHFFFAOYSA-N 1 0 424.497 3.627 50 0 HHAARO CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005156500 559259003 /nfs/dbraw/zinc/25/90/03/559259003.db2.gz MXEWBDBYFYJRFK-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011840151 559261473 /nfs/dbraw/zinc/26/14/73/559261473.db2.gz AMNFINGMRYOHAW-JOCHJYFZSA-N 1 0 404.457 3.719 50 0 HHAARO COC[C@](C)([NH2+]C[C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 ZINC000252493898 559277680 /nfs/dbraw/zinc/27/76/80/559277680.db2.gz NGBKYQCQZOFVHC-RDPSFJRHSA-N 1 0 413.562 3.916 50 0 HHAARO COc1ccc([C@H]2[NH2+]CC3(CCCC3)c3cc4c(cc32)OCCO4)c(OC)c1OC ZINC000003154374 560588270 /nfs/dbraw/zinc/58/82/70/560588270.db2.gz VLWMWNBLVLEQJO-OAQYLSRUSA-N 1 0 411.498 3.988 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000005451973 560589226 /nfs/dbraw/zinc/58/92/26/560589226.db2.gz VOQLNPKKMQJCHV-REHUZNOOSA-N 1 0 407.514 3.732 50 0 HHAARO Cc1cc(C)nc(SCc2ccc(C(=O)NN3Cc4ccccc4C3=[NH2+])cc2)n1 ZINC000102150180 560808235 /nfs/dbraw/zinc/80/82/35/560808235.db2.gz OGBNRINTBTVOJJ-UHFFFAOYSA-N 1 0 403.511 3.872 50 0 HHAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982480 560858784 /nfs/dbraw/zinc/85/87/84/560858784.db2.gz DQFGLAYYLOBEOW-FGZHOGPDSA-N 1 0 414.521 3.997 50 0 HHAARO COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983847 560858909 /nfs/dbraw/zinc/85/89/09/560858909.db2.gz SWEBFGJOZJHYJF-VQTJNVASSA-N 1 0 423.340 3.996 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@H](COC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000213852290 560879455 /nfs/dbraw/zinc/87/94/55/560879455.db2.gz PKYQEWRLPTUHMQ-HHMVEJHFSA-N 1 0 410.514 3.574 50 0 HHAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000012072343 560888528 /nfs/dbraw/zinc/88/85/28/560888528.db2.gz JOMLVDKACLEQHV-QGZVFWFLSA-N 1 0 408.502 3.510 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1 ZINC000047588555 560892603 /nfs/dbraw/zinc/89/26/03/560892603.db2.gz GODQZBNFFDDDHB-INIZCTEOSA-N 1 0 406.939 3.718 50 0 HHAARO O=C1Nc2cc(Br)ccc2[C@@H]1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000108173913 560898343 /nfs/dbraw/zinc/89/83/43/560898343.db2.gz ZZWMEUORAUBYTE-RDJZCZTQSA-N 1 0 405.292 3.759 50 0 HHAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)nn3C)nc21 ZINC000012229463 568418336 /nfs/dbraw/zinc/41/83/36/568418336.db2.gz AMBZFLFZWAHKNB-UHFFFAOYSA-N 1 0 421.954 3.599 50 0 HHAARO CCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032475 568424742 /nfs/dbraw/zinc/42/47/42/568424742.db2.gz JPPBTHCWMSALNA-UHFFFAOYSA-N 1 0 400.548 3.914 50 0 HHAARO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000048184594 568432475 /nfs/dbraw/zinc/43/24/75/568432475.db2.gz WNQAZXYDEHVLSD-VLIAUNLRSA-N 1 0 403.523 3.684 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000048278988 568435850 /nfs/dbraw/zinc/43/58/50/568435850.db2.gz RGOQDHRZOFNZBQ-IBGZPJMESA-N 1 0 416.525 3.537 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cc2)C1 ZINC000048310996 568436775 /nfs/dbraw/zinc/43/67/75/568436775.db2.gz XMZSTLXYXUFJAL-WOJBJXKFSA-N 1 0 417.557 3.734 50 0 HHAARO COc1ccc(OC)c(C(=O)c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)c1 ZINC000000720802 568466402 /nfs/dbraw/zinc/46/64/02/568466402.db2.gz ZHJLILUIFUJCCY-UHFFFAOYSA-N 1 0 424.541 3.974 50 0 HHAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(C)cc2)CC1 ZINC000020107802 568588096 /nfs/dbraw/zinc/58/80/96/568588096.db2.gz HRGPFVMGHLJLRV-UHFFFAOYSA-N 1 0 400.592 3.815 50 0 HHAARO C[N@H+](CCCO)C1CCN(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)CC1 ZINC000095400101 568604926 /nfs/dbraw/zinc/60/49/26/568604926.db2.gz CMTSTDXDNGUQDB-UHFFFAOYSA-N 1 0 415.509 3.715 50 0 HHAARO CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 ZINC000095458244 568619017 /nfs/dbraw/zinc/61/90/17/568619017.db2.gz TWFWKOYMFDTVHV-UHFFFAOYSA-N 1 0 423.586 3.607 50 0 HHAARO COC(=O)[C@H]1CCCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000095941466 568661949 /nfs/dbraw/zinc/66/19/49/568661949.db2.gz FLZVHNUJTMWTCM-DZGCQCFKSA-N 1 0 408.296 3.711 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000095980594 568675329 /nfs/dbraw/zinc/67/53/29/568675329.db2.gz GCCSGAHCZZOYRH-SFHLNBCPSA-N 1 0 409.530 3.981 50 0 HHAARO CCOc1ccc(C[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C(=O)OC)cc1 ZINC000095997164 568679206 /nfs/dbraw/zinc/67/92/06/568679206.db2.gz ZEDKAKCTGCIFSK-KRWDZBQOSA-N 1 0 413.543 3.669 50 0 HHAARO CCOC(=O)c1noc2nc(C)nc(NCC3CC[NH+](Cc4ccc(C)cc4)CC3)c12 ZINC000021539142 568713304 /nfs/dbraw/zinc/71/33/04/568713304.db2.gz NDKMUKOEBUBEOF-UHFFFAOYSA-N 1 0 423.517 3.735 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2F)C[C@@H](C)O1 ZINC000229762448 568715239 /nfs/dbraw/zinc/71/52/39/568715239.db2.gz PRPMLKFYHNBGTJ-SPYBWZPUSA-N 1 0 420.554 3.925 50 0 HHAARO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000229764614 568715250 /nfs/dbraw/zinc/71/52/50/568715250.db2.gz CKZGEUCGLQACRO-VIZSFHNOSA-N 1 0 413.606 3.675 50 0 HHAARO COc1ccccc1-c1noc2ncnc(N(CC[NH+](C)C)Cc3ccccc3)c12 ZINC000021715061 568748993 /nfs/dbraw/zinc/74/89/93/568748993.db2.gz IFKNLLLBWFQURA-UHFFFAOYSA-N 1 0 403.486 3.862 50 0 HHAARO O=C(/C=C\c1ccccc1Br)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000096401194 568750150 /nfs/dbraw/zinc/75/01/50/568750150.db2.gz UXANOHMFASJONV-HJWRWDBZSA-N 1 0 407.352 3.614 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000086053452 568753271 /nfs/dbraw/zinc/75/32/71/568753271.db2.gz GTCAHMKSCHRHET-CQHJRZBDSA-N 1 0 409.917 3.942 50 0 HHAARO Cn1ccnc1Sc1ccc(NC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000096747833 568764332 /nfs/dbraw/zinc/76/43/32/568764332.db2.gz JUDJRRFCZZZFPN-UHFFFAOYSA-N 1 0 413.572 3.983 50 0 HHAARO O=C(N1CCC([N@@H+]2CCc3sccc3C2)CC1)C1(c2ccccc2)CCOCC1 ZINC000225688889 568778901 /nfs/dbraw/zinc/77/89/01/568778901.db2.gz XDNIGWLLJKHUHX-UHFFFAOYSA-N 1 0 410.583 3.846 50 0 HHAARO O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056896260 568820847 /nfs/dbraw/zinc/82/08/47/568820847.db2.gz YWRYVRRBDUZEOE-QHCPKHFHSA-N 1 0 422.479 3.653 50 0 HHAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000005979271 568833915 /nfs/dbraw/zinc/83/39/15/568833915.db2.gz FZAGYOHSLFNQQK-SBUREZEXSA-N 1 0 418.541 3.560 50 0 HHAARO C[C@@H]1C[NH+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@@H](C)O1 ZINC000012544215 568849524 /nfs/dbraw/zinc/84/95/24/568849524.db2.gz DUUNTDYLEABOFZ-QZTJIDSGSA-N 1 0 404.514 3.526 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1 ZINC000299773978 568874499 /nfs/dbraw/zinc/87/44/99/568874499.db2.gz HCHXKLXRIKABNK-KRWDZBQOSA-N 1 0 404.869 3.879 50 0 HHAARO CC(=O)c1c(C)nn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c1C ZINC000299776647 568874763 /nfs/dbraw/zinc/87/47/63/568874763.db2.gz BPQHCAHGYAAOIM-ZCNNSNEGSA-N 1 0 405.502 3.827 50 0 HHAARO CCCCOc1cc(CNC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)ccc1OC ZINC000058152303 568892942 /nfs/dbraw/zinc/89/29/42/568892942.db2.gz ONXPXLPXAIUGHR-XUZZJYLKSA-N 1 0 400.563 3.875 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000003587975 568917969 /nfs/dbraw/zinc/91/79/69/568917969.db2.gz WVZWNOATQPTBMX-XSFVSMFZSA-N 1 0 411.502 3.737 50 0 HHAARO O=C(NCC[NH+]1CCCCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676916 568964970 /nfs/dbraw/zinc/96/49/70/568964970.db2.gz QVAOTCJHGTVYHS-UHFFFAOYSA-N 1 0 419.573 3.696 50 0 HHAARO O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008122285 568974559 /nfs/dbraw/zinc/97/45/59/568974559.db2.gz MWMFRHVDPXYDRY-UHFFFAOYSA-N 1 0 423.520 3.956 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)C1(N2CCOCC2)CCCCC1 ZINC000670467773 568975131 /nfs/dbraw/zinc/97/51/31/568975131.db2.gz KIOHSYQVWKEFPU-HSZRJFAPSA-N 1 0 413.606 3.755 50 0 HHAARO C[C@@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000008193156 568981811 /nfs/dbraw/zinc/98/18/11/568981811.db2.gz MLVXLWPQCTXYQK-XMSQKQJNSA-N 1 0 404.558 3.966 50 0 HHAARO O=C(Cn1c2ccccc2nc1-c1cscn1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000008338273 568993244 /nfs/dbraw/zinc/99/32/44/568993244.db2.gz VDIIYSDCYDXWOA-LJQANCHMSA-N 1 0 421.526 3.706 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)Cc1ccccc1 ZINC000008345582 568994448 /nfs/dbraw/zinc/99/44/48/568994448.db2.gz PYZKAGMSNKGBEL-HSZRJFAPSA-N 1 0 416.521 3.586 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770197 568997445 /nfs/dbraw/zinc/99/74/45/568997445.db2.gz VLCRCPWSPJUFHY-SFHVURJKSA-N 1 0 415.607 3.679 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)c2[nH]nc3c2COc2ccccc2-3)CC1 ZINC000015772912 568998883 /nfs/dbraw/zinc/99/88/83/568998883.db2.gz SXRVRKMWNSRJCC-UHFFFAOYSA-N 1 0 416.525 3.920 50 0 HHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)nc1n2CCCCC1 ZINC000015786978 569007669 /nfs/dbraw/zinc/00/76/69/569007669.db2.gz PUKTUUKHOACGEI-UHFFFAOYSA-N 1 0 402.542 3.941 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@H]2CCO)cc1C ZINC000104539062 569009010 /nfs/dbraw/zinc/00/90/10/569009010.db2.gz VVVGLEUFUMRMIO-HSZRJFAPSA-N 1 0 405.542 3.621 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015862440 569015784 /nfs/dbraw/zinc/01/57/84/569015784.db2.gz YVEVAFCJAQVSJM-QGZVFWFLSA-N 1 0 420.985 3.965 50 0 HHAARO c1c(CN2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000023358788 569031995 /nfs/dbraw/zinc/03/19/95/569031995.db2.gz GYZCCCHCWUEOMJ-QFIPXVFZSA-N 1 0 416.525 3.607 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035399204 569035249 /nfs/dbraw/zinc/03/52/49/569035249.db2.gz ZEUYNZQKLXVGRZ-LJQANCHMSA-N 1 0 400.567 3.701 50 0 HHAARO CSc1ccccc1NC(=O)C(=O)NC[C@@H](c1csc2ccccc21)[NH+](C)C ZINC000575621584 569038905 /nfs/dbraw/zinc/03/89/05/569038905.db2.gz PUIUAONJEJRXBJ-KRWDZBQOSA-N 1 0 413.568 3.981 50 0 HHAARO CCOC(=O)c1nc2onc(C)c2c(NCCC[N@H+](Cc2ccccc2)C(C)C)n1 ZINC000035534917 569043487 /nfs/dbraw/zinc/04/34/87/569043487.db2.gz NBGACWRQDYVKJD-UHFFFAOYSA-N 1 0 411.506 3.816 50 0 HHAARO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)cc1 ZINC000013009486 569050010 /nfs/dbraw/zinc/05/00/10/569050010.db2.gz VOXRAZMBJZVKJR-UHFFFAOYSA-N 1 0 409.349 3.523 50 0 HHAARO COc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 ZINC000252515837 569057975 /nfs/dbraw/zinc/05/79/75/569057975.db2.gz NYQFFWVOAXLMOK-RBUKOAKNSA-N 1 0 408.420 3.953 50 0 HHAARO COc1cc(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c(OC)cc1Cl ZINC000089420789 569060159 /nfs/dbraw/zinc/06/01/59/569060159.db2.gz YFSZENZHCWRGEG-IBGZPJMESA-N 1 0 418.921 3.569 50 0 HHAARO C[C@@H](C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)[NH+]1CCCCCC1 ZINC000089448644 569060563 /nfs/dbraw/zinc/06/05/63/569060563.db2.gz PIEZLAUTRCTMJL-ROUUACIJSA-N 1 0 404.555 3.851 50 0 HHAARO C[N@H+](CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000006552860 569065365 /nfs/dbraw/zinc/06/53/65/569065365.db2.gz RWOXJWYTXQBZBM-UHFFFAOYSA-N 1 0 409.486 3.871 50 0 HHAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)N(CC)C(=O)N[C@@H]1c1ccsc1 ZINC000035991621 569074701 /nfs/dbraw/zinc/07/47/01/569074701.db2.gz DMLNUJWIPIVDDF-LJQANCHMSA-N 1 0 405.564 3.916 50 0 HHAARO CCCc1cc(=O)oc2c(C)c(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006658858 569083527 /nfs/dbraw/zinc/08/35/27/569083527.db2.gz TVHVHWDZXKQBQH-UHFFFAOYSA-N 1 0 414.546 3.858 50 0 HHAARO CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659017 569083641 /nfs/dbraw/zinc/08/36/41/569083641.db2.gz BWIFUVDHTYRHCQ-CQSZACIVSA-N 1 0 400.519 3.548 50 0 HHAARO CCc1cc(=O)oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000006659679 569083956 /nfs/dbraw/zinc/08/39/56/569083956.db2.gz CVZWRKQZSKUCDJ-UHFFFAOYSA-N 1 0 420.509 3.515 50 0 HHAARO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103539 569092204 /nfs/dbraw/zinc/09/22/04/569092204.db2.gz CPDPHBGUCZSSQX-QHCPKHFHSA-N 1 0 405.494 3.995 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145896 569098503 /nfs/dbraw/zinc/09/85/03/569098503.db2.gz FCTWSSQCXSTXJF-RTWAWAEBSA-N 1 0 402.922 3.733 50 0 HHAARO O[C@H](COCc1ccco1)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147639 569098569 /nfs/dbraw/zinc/09/85/69/569098569.db2.gz MEBPLAYPCJMECK-IBGZPJMESA-N 1 0 423.469 3.545 50 0 HHAARO COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169678534 569126001 /nfs/dbraw/zinc/12/60/01/569126001.db2.gz BNOFXMNAWAIVGP-VWNXMTODSA-N 1 0 405.542 3.939 50 0 HHAARO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c2cc(Cl)ccc21 ZINC000169680685 569127390 /nfs/dbraw/zinc/12/73/90/569127390.db2.gz BXWNTNUOICLLTI-JXFKEZNVSA-N 1 0 403.954 3.935 50 0 biogenic HHAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340660 569141609 /nfs/dbraw/zinc/14/16/09/569141609.db2.gz CDWSFTNBUDHBBM-JOCHJYFZSA-N 1 0 410.606 3.920 50 0 HHAARO CC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036340460 569141670 /nfs/dbraw/zinc/14/16/70/569141670.db2.gz KXUUGFXANVSBBF-HSZRJFAPSA-N 1 0 416.569 3.936 50 0 HHAARO Cc1ccc(-c2ccnc3c(C(=O)NCCC[NH+]4CCC(C)CC4)cnn32)cc1C ZINC000065026637 569155693 /nfs/dbraw/zinc/15/56/93/569155693.db2.gz VGGXELGDLBIVCC-UHFFFAOYSA-N 1 0 405.546 3.865 50 0 HHAARO Cn1cc(CCC(=O)NCCCN2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000006857954 569156768 /nfs/dbraw/zinc/15/67/68/569156768.db2.gz MLZSPLCIFRFZAT-UHFFFAOYSA-N 1 0 410.606 3.568 50 0 HHAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000036390050 569165515 /nfs/dbraw/zinc/16/55/15/569165515.db2.gz RUOAGGNHMSYGST-WMLDXEAASA-N 1 0 407.440 3.879 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccccc2Cl)C1 ZINC000036394275 569168015 /nfs/dbraw/zinc/16/80/15/569168015.db2.gz YCUDOWFPEIQMIP-QGZVFWFLSA-N 1 0 413.949 3.618 50 0 HHAARO c1cc(N2CCCCC2)ncc1-c1noc(CN2CC[NH+](C3CCCCC3)CC2)n1 ZINC000065215966 569197643 /nfs/dbraw/zinc/19/76/43/569197643.db2.gz FKBGUQIGHMMRJQ-UHFFFAOYSA-N 1 0 410.566 3.572 50 0 HHAARO Cc1nc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c(C)n1C1CC[NH+](C)CC1 ZINC000065257263 569208636 /nfs/dbraw/zinc/20/86/36/569208636.db2.gz IIRFDVRQSQGULL-UHFFFAOYSA-N 1 0 410.440 3.595 50 0 HHAARO Fc1cc(F)cc(C[N@@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257948 569209924 /nfs/dbraw/zinc/20/99/24/569209924.db2.gz YNYDBMINJCBFNT-UHFFFAOYSA-N 1 0 411.456 4.000 50 0 HHAARO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1ccccc1C[NH+]1CCCC1 ZINC000007118872 569221741 /nfs/dbraw/zinc/22/17/41/569221741.db2.gz MWGIKDLHYJXJJW-UHFFFAOYSA-N 1 0 416.447 3.967 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000007263899 569230783 /nfs/dbraw/zinc/23/07/83/569230783.db2.gz JNASQSBFHPMSHX-UHFFFAOYSA-N 1 0 418.335 3.773 50 0 HHAARO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000065488453 569231891 /nfs/dbraw/zinc/23/18/91/569231891.db2.gz KPMUTASUEZNNND-HNNXBMFYSA-N 1 0 409.368 3.987 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065512734 569233363 /nfs/dbraw/zinc/23/33/63/569233363.db2.gz ABYQXIBGBCPSGL-FQEVSTJZSA-N 1 0 410.537 3.616 50 0 HHAARO CCCC[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000065592954 569236917 /nfs/dbraw/zinc/23/69/17/569236917.db2.gz ICFAZNVUDQNKFU-INIZCTEOSA-N 1 0 412.500 3.698 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000170607282 569244484 /nfs/dbraw/zinc/24/44/84/569244484.db2.gz HAZYCDDSJJFPDZ-LEWJYISDSA-N 1 0 418.545 3.527 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000170607280 569244592 /nfs/dbraw/zinc/24/45/92/569244592.db2.gz HAZYCDDSJJFPDZ-NHCUHLMSSA-N 1 0 418.545 3.527 50 0 HHAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000170606842 569244871 /nfs/dbraw/zinc/24/48/71/569244871.db2.gz NFTOQMQICJCJQN-NGTQAZIISA-N 1 0 410.530 3.546 50 0 HHAARO Cc1ncc(Br)c(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000170608069 569245184 /nfs/dbraw/zinc/24/51/84/569245184.db2.gz ZQBIILDJWGNUSB-AWEZNQCLSA-N 1 0 409.372 3.664 50 0 HHAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000170613509 569246870 /nfs/dbraw/zinc/24/68/70/569246870.db2.gz DGVXAVIHODYYOB-IAGOWNOFSA-N 1 0 417.579 3.683 50 0 HHAARO COc1ccc(Cn2c(C)cc(O)c([C@H](c3ccncc3)[NH+]3CCCCC3)c2=O)cc1 ZINC000016993494 569270891 /nfs/dbraw/zinc/27/08/91/569270891.db2.gz LHRMIDXGIPJPJZ-DEOSSOPVSA-N 1 0 419.525 3.890 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2c(C)onc2-c2ccccc2)cc1 ZINC000014739048 569271695 /nfs/dbraw/zinc/27/16/95/569271695.db2.gz LCQWUYWGEYEBER-UHFFFAOYSA-N 1 0 420.513 3.974 50 0 HHAARO COc1cc([C@H]2[NH2+]CC3(CCCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000002106065 569277782 /nfs/dbraw/zinc/27/77/82/569277782.db2.gz MNSJXCLIYPYURP-JOCHJYFZSA-N 1 0 411.498 3.988 50 0 biogenic HHAARO Cc1ccoc1C(=O)NCCC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000237765004 569281890 /nfs/dbraw/zinc/28/18/90/569281890.db2.gz FYDAKLRVECKQGX-UHFFFAOYSA-N 1 0 417.307 3.650 50 0 HHAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000252515764 569292126 /nfs/dbraw/zinc/29/21/26/569292126.db2.gz NFTOQMQICJCJQN-OPTDIUSFSA-N 1 0 410.530 3.546 50 0 HHAARO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000007671239 569300062 /nfs/dbraw/zinc/30/00/62/569300062.db2.gz ISFWUPSYHIHQSH-KRWDZBQOSA-N 1 0 418.559 3.977 50 0 HHAARO C[NH+](C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2cccs2)c1 ZINC000037600830 569309057 /nfs/dbraw/zinc/30/90/57/569309057.db2.gz NEDXJHOSRPHBEP-UHFFFAOYSA-N 1 0 421.566 3.815 50 0 HHAARO Cc1oc2c(c1C(=O)NCCC1CC[NH+](C)CC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291976 569364404 /nfs/dbraw/zinc/36/44/04/569364404.db2.gz ZBDJGERFSAVKAU-UHFFFAOYSA-N 1 0 413.537 3.747 50 0 HHAARO CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002415602 569397238 /nfs/dbraw/zinc/39/72/38/569397238.db2.gz NKERNKDRFHKBAR-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2 ZINC000012660830 569402551 /nfs/dbraw/zinc/40/25/51/569402551.db2.gz BVCMOJHQNDYZII-JKSUJKDBSA-N 1 0 420.303 3.839 50 0 biogenic HHAARO COc1ccc(OC)c(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000013363948 569412099 /nfs/dbraw/zinc/41/20/99/569412099.db2.gz BORVVBTVJCQIAG-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO COC1CC[NH+](CCNC(=O)c2ccccc2SCc2csc(C)n2)CC1 ZINC000079026227 569424906 /nfs/dbraw/zinc/42/49/06/569424906.db2.gz NCHWXXLYHASOPK-UHFFFAOYSA-N 1 0 405.589 3.584 50 0 HHAARO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]Cc3cccnc3-n3cccn3)c21 ZINC000079097383 569427261 /nfs/dbraw/zinc/42/72/61/569427261.db2.gz HMTUDXNOJQEZCL-UHFFFAOYSA-N 1 0 405.502 3.855 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603476 571091253 /nfs/dbraw/zinc/09/12/53/571091253.db2.gz AGUXMTJLBMSZKD-UHFFFAOYSA-N 1 0 422.573 3.985 50 0 HHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000008893340 571143184 /nfs/dbraw/zinc/14/31/84/571143184.db2.gz NSGYVSSOAFRYKG-GOSISDBHSA-N 1 0 407.486 3.698 50 0 HHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040104964 571165748 /nfs/dbraw/zinc/16/57/48/571165748.db2.gz FZTCPBNHVLJGER-UHFFFAOYSA-N 1 0 422.451 3.574 50 0 HHAARO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000040108098 571167839 /nfs/dbraw/zinc/16/78/39/571167839.db2.gz GKXKHLBIZXSMRO-KRMOAVESSA-N 1 0 417.638 3.582 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCc3c[nH]c4ccccc34)cc2)CC1 ZINC000040115652 571173283 /nfs/dbraw/zinc/17/32/83/571173283.db2.gz DYHLQXKSKQDLPB-UHFFFAOYSA-N 1 0 404.558 3.554 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC1 ZINC000040152082 571199726 /nfs/dbraw/zinc/19/97/26/571199726.db2.gz SUELYUQOFBYNSA-NHCUHLMSSA-N 1 0 413.949 3.658 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC1 ZINC000040152080 571199854 /nfs/dbraw/zinc/19/98/54/571199854.db2.gz SUELYUQOFBYNSA-LEWJYISDSA-N 1 0 413.949 3.658 50 0 HHAARO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000040156745 571203637 /nfs/dbraw/zinc/20/36/37/571203637.db2.gz GWRWQOJKXBPHKA-UHFFFAOYSA-N 1 0 404.429 3.597 50 0 HHAARO C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000040156744 571203779 /nfs/dbraw/zinc/20/37/79/571203779.db2.gz UNEHFJXLAGJXIA-UHFFFAOYSA-N 1 0 405.322 3.885 50 0 HHAARO CC(C)(C)CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000040157067 571204046 /nfs/dbraw/zinc/20/40/46/571204046.db2.gz QUPZQRHSHNRGDC-LJQANCHMSA-N 1 0 419.997 3.773 50 0 HHAARO CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)C1 ZINC000040157633 571204136 /nfs/dbraw/zinc/20/41/36/571204136.db2.gz TZAHRJAUVGLPAW-ZDUSSCGKSA-N 1 0 400.832 3.759 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000009043096 571215150 /nfs/dbraw/zinc/21/51/50/571215150.db2.gz VOQLNPKKMQJCHV-ROKPMTFOSA-N 1 0 407.514 3.732 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245280750 571222542 /nfs/dbraw/zinc/22/25/42/571222542.db2.gz RPICABBINFTRDJ-REWPJTCUSA-N 1 0 415.553 3.511 50 0 HHAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC[NH+](C)C)occ3-c1ccc(F)cc1 ZINC000009183900 571234527 /nfs/dbraw/zinc/23/45/27/571234527.db2.gz HCVGSPANAFKUNL-UHFFFAOYSA-N 1 0 422.456 3.874 50 0 HHAARO COc1ccc(C[N@H+](CC(=O)NCC(F)(F)F)[C@H](C)Cc2cccs2)cc1 ZINC000009863680 571288816 /nfs/dbraw/zinc/28/88/16/571288816.db2.gz WXGZGGKCKUQDHZ-CQSZACIVSA-N 1 0 400.466 3.868 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc2ccccc21 ZINC000010333613 571300617 /nfs/dbraw/zinc/30/06/17/571300617.db2.gz BPGNAWLRYISINN-FQEVSTJZSA-N 1 0 413.880 3.990 50 0 HHAARO CC[NH+]1CCN([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098294 571314751 /nfs/dbraw/zinc/31/47/51/571314751.db2.gz LNGFFJDPZYEZGH-DEOSSOPVSA-N 1 0 421.541 3.539 50 0 aggregator HHAARO COCCN(C[C@@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000169678069 571315555 /nfs/dbraw/zinc/31/55/55/571315555.db2.gz ZZIPQWFPWLQCEV-FPOVZHCZSA-N 1 0 416.587 3.776 50 0 HHAARO CCC[NH+](CCC)C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002989824 960476299 /nfs/dbraw/zinc/47/62/99/960476299.db2.gz HCPROOPSWLBHCG-NRFANRHFSA-N 1 0 404.576 3.673 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000011782501 962189116 /nfs/dbraw/zinc/18/91/16/962189116.db2.gz MHRNBTIABQHAHA-AWEZNQCLSA-N 1 0 407.436 3.698 50 0 HHAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCc2cn3ccccc3n2)C1 ZINC000011820349 962199994 /nfs/dbraw/zinc/19/99/94/962199994.db2.gz DMDXXPJDAUNFJS-JOCHJYFZSA-N 1 0 418.585 3.988 50 0 HHAARO OCC1(CCOc2ccccc2)CC[NH+](Cc2cnc(N3CCCC3)s2)CC1 ZINC000011873532 962205221 /nfs/dbraw/zinc/20/52/21/962205221.db2.gz LSZKXUYLQHIXDD-UHFFFAOYSA-N 1 0 401.576 3.787 50 0 HHAARO COc1cccc(OC)c1C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccccc3)O2)CC1 ZINC000011971518 962217586 /nfs/dbraw/zinc/21/75/86/962217586.db2.gz VKNORHZRJOYNDE-FQEVSTJZSA-N 1 0 424.541 3.647 50 0 HHAARO Cc1n[nH]c(C)c1CCN1C(=O)CC[C@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000012055239 962230609 /nfs/dbraw/zinc/23/06/09/962230609.db2.gz JABBDEWOLVMFRG-SFHVURJKSA-N 1 0 408.468 3.759 50 0 HHAARO Cc1c(C(=O)N2CCC[C@@H](C)C2)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000012078231 962235777 /nfs/dbraw/zinc/23/57/77/962235777.db2.gz YFCUHPGYTIQZHB-OAHLLOKOSA-N 1 0 401.580 3.770 50 0 HHAARO O=C([C@@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2)N1CCc2ccccc2C1 ZINC000012122648 962242534 /nfs/dbraw/zinc/24/25/34/962242534.db2.gz XKHUYWXIFANGTN-QHCPKHFHSA-N 1 0 402.538 3.809 50 0 HHAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H]([NH2+]CCc1ccccc1)CC3 ZINC000012218735 962255445 /nfs/dbraw/zinc/25/54/45/962255445.db2.gz NCDRVEOQGSNCFJ-GOSISDBHSA-N 1 0 416.550 3.591 50 0 HHAARO C[C@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012218716 962256447 /nfs/dbraw/zinc/25/64/47/962256447.db2.gz OPWYJCANLDKKDT-MRXNPFEDSA-N 1 0 424.570 3.789 50 0 HHAARO COC(=O)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)c1 ZINC000012433177 962279619 /nfs/dbraw/zinc/27/96/19/962279619.db2.gz OZIHAHGGIWIKPE-VWLOTQADSA-N 1 0 422.525 3.610 50 0 HHAARO COCCc1nc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCCC3)cc2o1 ZINC000012571345 962293329 /nfs/dbraw/zinc/29/33/29/962293329.db2.gz CEKBNQMKVLRQIG-NRFANRHFSA-N 1 0 407.514 3.974 50 0 HHAARO COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c(OC)c1 ZINC000012711015 962315462 /nfs/dbraw/zinc/31/54/62/962315462.db2.gz HWJUQWVCXZFCDW-HMHJJOSWSA-N 1 0 422.525 3.650 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ccccc2SC)CC1 ZINC000012748290 962324558 /nfs/dbraw/zinc/32/45/58/962324558.db2.gz BYMWNYVFJNWGDV-IBGZPJMESA-N 1 0 417.619 3.641 50 0 HHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000012754458 962324843 /nfs/dbraw/zinc/32/48/43/962324843.db2.gz GVTWWAKVYFSOGJ-HNNXBMFYSA-N 1 0 409.511 3.667 50 0 HHAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](CC(C)(C)C)CC3)C2=O)cc1 ZINC000014733424 962563505 /nfs/dbraw/zinc/56/35/05/962563505.db2.gz BCRMAPZBXILOPX-UHFFFAOYSA-N 1 0 415.578 3.996 50 0 HHAARO Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(C[N@H+](C)Cc3cccs3)c2)n(C)n1 ZINC000014878628 962597621 /nfs/dbraw/zinc/59/76/21/962597621.db2.gz SVMLTTAWKKPLMG-QGZVFWFLSA-N 1 0 412.559 3.619 50 0 HHAARO Cc1c(C(=O)N[C@@H](C)Cc2ccsc2)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000014981964 962617785 /nfs/dbraw/zinc/61/77/85/962617785.db2.gz HWNVHVJDDNBQCV-ZDUSSCGKSA-N 1 0 417.604 3.786 50 0 HHAARO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@H+](Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745119 963375066 /nfs/dbraw/zinc/37/50/66/963375066.db2.gz WTQQWFDYLVQIKA-HSZRJFAPSA-N 1 0 408.542 3.929 50 0 HHAARO Cc1cc(C)n(CCC[NH2+]Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)n1 ZINC000020209140 963384973 /nfs/dbraw/zinc/38/49/73/963384973.db2.gz VWGXOXWBCJEMSZ-UHFFFAOYSA-N 1 0 419.504 3.577 50 0 HHAARO COc1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)ccc1F ZINC000020234053 963386180 /nfs/dbraw/zinc/38/61/80/963386180.db2.gz PIBJGTDDZKGXKY-WXVUKLJWSA-N 1 0 410.489 3.781 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)C23CC4CC(CC(C4)C2)C3)c1=N ZINC000022780055 963714579 /nfs/dbraw/zinc/71/45/79/963714579.db2.gz RDABDVRRVUPTQC-HPIWNNMISA-N 1 0 410.606 3.841 50 0 HHAARO O=C(/C=C/c1ccc(OCc2ccccc2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022935475 963741913 /nfs/dbraw/zinc/74/19/13/963741913.db2.gz ZJYUVGVSSYTSBB-JLHYYAGUSA-N 1 0 419.569 3.519 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000096924971 969056220 /nfs/dbraw/zinc/05/62/20/969056220.db2.gz CZKOIRBSFKIUMS-ZCPJJFRWSA-N 1 0 410.514 3.679 50 0 HHAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C\c2ccc(Br)s2)C[C@H](C)O1 ZINC000098055413 969186897 /nfs/dbraw/zinc/18/68/97/969186897.db2.gz SYXJJCPLCGFMTF-WUAZGKCJSA-N 1 0 413.381 3.624 50 0 HHAARO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000244882602 970468790 /nfs/dbraw/zinc/46/87/90/970468790.db2.gz XUVYDNDYBJRWPV-ONTIZHBOSA-N 1 0 404.982 3.952 50 0 HHAARO Cc1c(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCC(C)CC3)C2)cnn1C ZINC000169765046 970473024 /nfs/dbraw/zinc/47/30/24/970473024.db2.gz MNVGFHIETGMVCR-NRFANRHFSA-N 1 0 424.589 3.892 50 0 HHAARO Cc1cc(C(=O)N2CCC3(CC2)C[C@H]([N@H+](Cc2ccccc2)C2CC2)CCO3)n(C)n1 ZINC000169776637 970478239 /nfs/dbraw/zinc/47/82/39/970478239.db2.gz WKIGORJNDJTPEB-JOCHJYFZSA-N 1 0 422.573 3.547 50 0 HHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000257184515 970621287 /nfs/dbraw/zinc/62/12/87/970621287.db2.gz IOYLWUGOWFJMAV-UHFFFAOYSA-N 1 0 407.489 3.522 50 0 HHAARO Cc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000001473028 132246727 /nfs/dbraw/zinc/24/67/27/132246727.db2.gz VYLFKHSUZROYSZ-UHFFFAOYSA-N 1 0 412.541 3.548 50 0 HHAARO COc1ccc(CN2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)c(OC)c1 ZINC000004712136 132285267 /nfs/dbraw/zinc/28/52/67/132285267.db2.gz IWTFDKQZJRIGIC-UHFFFAOYSA-N 1 0 413.537 3.630 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2)CC1 ZINC000006517636 132311417 /nfs/dbraw/zinc/31/14/17/132311417.db2.gz WPUYGQGQQMZOMH-UHFFFAOYSA-N 1 0 418.335 3.609 50 0 HHAARO O=c1oc2ccccc2c(N2CCN(c3ccc(F)cc3)CC2)c1C[NH+]1CCCC1 ZINC000007504115 132324881 /nfs/dbraw/zinc/32/48/81/132324881.db2.gz CCCGOZJYRCIMRA-UHFFFAOYSA-N 1 0 407.489 3.855 50 0 HHAARO O=C(CCc1ccccc1)Nc1ccc(N2CCC([NH2+]CCn3cccn3)CC2)cc1 ZINC000012054063 132353271 /nfs/dbraw/zinc/35/32/71/132353271.db2.gz OZQPWUFFNLGIMY-UHFFFAOYSA-N 1 0 417.557 3.713 50 0 HHAARO COc1ccccc1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000012543473 132362646 /nfs/dbraw/zinc/36/26/46/132362646.db2.gz VHRPGSYVZOWCIZ-UHFFFAOYSA-N 1 0 407.436 3.647 50 0 HHAARO CC[NH+](CC)[C@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000020538491 520874472 /nfs/dbraw/zinc/87/44/72/520874472.db2.gz KKXAUNXFZXYUKP-SFHVURJKSA-N 1 0 417.623 3.718 50 0 HHAARO CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000045271033 521679249 /nfs/dbraw/zinc/67/92/49/521679249.db2.gz AEXCLAVAFSFAHT-GOSISDBHSA-N 1 0 411.015 3.594 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3C)c(C)c2)CC1 ZINC000043526491 521699065 /nfs/dbraw/zinc/69/90/65/521699065.db2.gz NFIYSVUOVMLWMW-UHFFFAOYSA-N 1 0 410.562 3.988 50 0 HHAARO COc1cc(OC)cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000020536769 522880620 /nfs/dbraw/zinc/88/06/20/522880620.db2.gz XOEAGYSESQZROO-JTJYXVOQSA-N 1 0 422.525 3.650 50 0 HHAARO CN1CC[NH+](C2CCN(c3cccc(NC(=O)CCCc4ccccc4)c3)CC2)CC1 ZINC000020600737 523892121 /nfs/dbraw/zinc/89/21/21/523892121.db2.gz GYFWNOBNCLUVLA-UHFFFAOYSA-N 1 0 420.601 3.864 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)o3)cn2)CC1 ZINC000032889363 523927777 /nfs/dbraw/zinc/92/77/77/523927777.db2.gz AMWFCIHYDDYGKW-UHFFFAOYSA-N 1 0 419.510 3.955 50 0 HHAARO COc1cccc([C@H](CNC(=O)c2cncn2-c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000032841398 524161776 /nfs/dbraw/zinc/16/17/76/524161776.db2.gz MDFSZUBADMMQEN-NRFANRHFSA-N 1 0 408.477 3.587 50 0 HHAARO COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032244772 524886070 /nfs/dbraw/zinc/88/60/70/524886070.db2.gz SWEAPAWXESOUMP-UHFFFAOYSA-N 1 0 412.456 3.748 50 0 HHAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)N4CC[NH+](C(C)C)CC4)cc3)n2)cc1 ZINC000032579016 525869578 /nfs/dbraw/zinc/86/95/78/525869578.db2.gz OAOADAFOSSKBCX-UHFFFAOYSA-N 1 0 420.513 3.643 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355171 526248561 /nfs/dbraw/zinc/24/85/61/526248561.db2.gz DPBWCJRDSRECMT-AWEZNQCLSA-N 1 0 404.511 3.529 50 0 HHAARO Cc1nc(-c2cccc(NC(=O)NC[C@@H]([C@H]3CCOC3)[NH+]3CCCC3)c2)cs1 ZINC000058404622 526588434 /nfs/dbraw/zinc/58/84/34/526588434.db2.gz XIMUDQHOUHAGHM-PXNSSMCTSA-N 1 0 400.548 3.741 50 0 HHAARO O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)NCCC[NH+]1CCCCC1 ZINC000032579104 526944912 /nfs/dbraw/zinc/94/49/12/526944912.db2.gz PPMFSPWVBJWMEJ-UHFFFAOYSA-N 1 0 420.513 3.775 50 0 HHAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)CC2)cc1C ZINC000034668110 557361694 /nfs/dbraw/zinc/36/16/94/557361694.db2.gz FQQOCCFCGNCAGS-DEOSSOPVSA-N 1 0 407.558 3.534 50 0 HHAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccncc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681654 557383393 /nfs/dbraw/zinc/38/33/93/557383393.db2.gz XLLJVXWGMFJBSA-UHFFFAOYSA-N 1 0 405.477 3.580 50 0 HHAARO COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000034682970 557385227 /nfs/dbraw/zinc/38/52/27/557385227.db2.gz BHULTJHHCJTZLK-UHFFFAOYSA-N 1 0 412.530 3.656 50 0 HHAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)C(=O)C1CCC1 ZINC000034834397 557467561 /nfs/dbraw/zinc/46/75/61/557467561.db2.gz NSGPUSHJSHLBQC-UHFFFAOYSA-N 1 0 423.605 3.717 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2cccc(C)c2)n1 ZINC000034911798 557476338 /nfs/dbraw/zinc/47/63/38/557476338.db2.gz OWVSJKNKEJFUCX-QFIPXVFZSA-N 1 0 417.557 3.575 50 0 HHAARO O[C@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(SC(F)(F)F)cc1 ZINC000004324482 557541573 /nfs/dbraw/zinc/54/15/73/557541573.db2.gz KCTVRNALCIZAGP-CYBMUJFWSA-N 1 0 401.406 3.557 50 0 HHAARO CCCC[N@H+](C)CCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000004757406 557594848 /nfs/dbraw/zinc/59/48/48/557594848.db2.gz IUZPHVKJWOBQSG-UHFFFAOYSA-N 1 0 402.608 3.923 50 0 HHAARO CCOC(=O)c1c2c(sc1NC(=O)CC[NH+]1CCC(C)CC1)COC(C)(C)C2 ZINC000004859719 557607548 /nfs/dbraw/zinc/60/75/48/557607548.db2.gz LIOYRQZWKXZFPU-UHFFFAOYSA-N 1 0 408.564 3.837 50 0 HHAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cc(Cl)ccc4C)C3=O)c2c1 ZINC000005274551 557643004 /nfs/dbraw/zinc/64/30/04/557643004.db2.gz ALRLARFVZSBGAT-LJQANCHMSA-N 1 0 411.889 3.603 50 0 HHAARO O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000006057735 557685563 /nfs/dbraw/zinc/68/55/63/557685563.db2.gz IFIFQGABMMIPOV-LJQANCHMSA-N 1 0 415.331 3.948 50 0 HHAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4cc5ccccc5cc4O)nc3c12 ZINC000006669827 557713349 /nfs/dbraw/zinc/71/33/49/557713349.db2.gz GRIINAVKARQPQM-UHFFFAOYSA-N 1 0 400.486 3.783 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000006767740 557720550 /nfs/dbraw/zinc/72/05/50/557720550.db2.gz SFSBCXRYJTZJKA-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO COCC[N@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn21)C(C)C ZINC000019741254 558262018 /nfs/dbraw/zinc/26/20/18/558262018.db2.gz GDZQLQDHARFNEG-UHFFFAOYSA-N 1 0 414.575 3.567 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C=Cc2c[nH]cn2)CC1 ZINC000011664514 558268193 /nfs/dbraw/zinc/26/81/93/558268193.db2.gz CKJBEQHIDIYXLV-CMDGGOBGSA-N 1 0 410.562 3.828 50 0 HHAARO COc1cc(CC(=O)N[C@H]2CCC[N@@H+](C3CCCCCC3)C2)cc(OC)c1OC ZINC000011817410 558280667 /nfs/dbraw/zinc/28/06/67/558280667.db2.gz LYWYIFOIURSXPY-SFHVURJKSA-N 1 0 404.551 3.558 50 0 HHAARO CN(C[C@@H]1CCCCO1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011818059 558281190 /nfs/dbraw/zinc/28/11/90/558281190.db2.gz ABCRPPHVKGQIKF-DEOSSOPVSA-N 1 0 423.557 3.766 50 0 HHAARO Cn1cc(C[N@H+](C)CCN2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000019782137 558281370 /nfs/dbraw/zinc/28/13/70/558281370.db2.gz SYUFCFGBDRGJEV-UHFFFAOYSA-N 1 0 406.530 3.643 50 0 HHAARO CSCC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000011821298 558284636 /nfs/dbraw/zinc/28/46/36/558284636.db2.gz ZOCGJJZRCJIQLZ-SFHVURJKSA-N 1 0 413.587 3.996 50 0 HHAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000019837731 558293193 /nfs/dbraw/zinc/29/31/93/558293193.db2.gz AAIULNQTTHSDBK-QHCPKHFHSA-N 1 0 424.976 3.841 50 0 HHAARO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3c[nH]nc3-c3ccccc3)[N@@H+]3CCC[C@@]123 ZINC000011935121 558299206 /nfs/dbraw/zinc/29/92/06/558299206.db2.gz KUVUSWFVYWBBTO-DDZLNHKNSA-N 1 0 424.548 3.982 50 0 HHAARO Cc1nn(C)cc1C[NH+]1CCC2(C[C@@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000011982405 558306154 /nfs/dbraw/zinc/30/61/54/558306154.db2.gz WEULZRMPVXCXHO-HSZRJFAPSA-N 1 0 420.601 3.959 50 0 HHAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)cs1 ZINC000011997285 558307274 /nfs/dbraw/zinc/30/72/74/558307274.db2.gz IQZXBHZNNPIATC-KRWDZBQOSA-N 1 0 403.523 3.534 50 0 HHAARO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012092977 558324727 /nfs/dbraw/zinc/32/47/27/558324727.db2.gz GEMIQXMTTZAHJO-DEOSSOPVSA-N 1 0 414.553 3.635 50 0 HHAARO COCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)CC[C@@H]21 ZINC000012135846 558333825 /nfs/dbraw/zinc/33/38/25/558333825.db2.gz FYZKEEQEQZJDRL-VWNXMTODSA-N 1 0 408.542 3.725 50 0 HHAARO Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4nc(-c5ccccc5)no4)C3)CC2)cc1 ZINC000020109821 558335044 /nfs/dbraw/zinc/33/50/44/558335044.db2.gz OWTXSHPEZAHJHK-JOCHJYFZSA-N 1 0 421.520 3.662 50 0 HHAARO CCCC[C@H]1C[N@H+](CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 ZINC000012148983 558338531 /nfs/dbraw/zinc/33/85/31/558338531.db2.gz QWCRRBFJDMFHTA-NRFANRHFSA-N 1 0 412.578 3.539 50 0 HHAARO Cc1cc(=O)[nH]c(CC[NH2+]C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)n1 ZINC000020255989 558352258 /nfs/dbraw/zinc/35/22/58/558352258.db2.gz QSYXSBCQDNBTFT-UHFFFAOYSA-N 1 0 406.505 3.686 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294597 558354495 /nfs/dbraw/zinc/35/44/95/558354495.db2.gz JGUCXMRYILQGSW-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO O[C@H](COc1ccc(F)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421517 558362003 /nfs/dbraw/zinc/36/20/03/558362003.db2.gz YGNJSKJVZZPYPP-DEOSSOPVSA-N 1 0 420.528 3.973 50 0 HHAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC000020452614 558366787 /nfs/dbraw/zinc/36/67/87/558366787.db2.gz JSSUDFYYXWDONC-XMMPIXPASA-N 1 0 413.993 3.878 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+][C@H](C)Cn2cncn2)cc1F ZINC000012298250 558368148 /nfs/dbraw/zinc/36/81/48/558368148.db2.gz BXLBMGRPVZWOMK-QGZVFWFLSA-N 1 0 420.492 3.765 50 0 HHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012298880 558369037 /nfs/dbraw/zinc/36/90/37/558369037.db2.gz HHSMNIATYWDCAV-INIZCTEOSA-N 1 0 424.932 3.936 50 0 HHAARO COc1cccc(C[NH2+]Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)c1 ZINC000012301960 558371519 /nfs/dbraw/zinc/37/15/19/558371519.db2.gz HYBDMGCIMHECFW-UHFFFAOYSA-N 1 0 406.530 3.957 50 0 HHAARO CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 ZINC000012302442 558372067 /nfs/dbraw/zinc/37/20/67/558372067.db2.gz WXJZEYLYZUGOCA-IBGZPJMESA-N 1 0 412.530 3.745 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2c(C)cccc2C)C1=O ZINC000020533531 558384978 /nfs/dbraw/zinc/38/49/78/558384978.db2.gz NLQIWBDDKSQIEE-QZMYASAMSA-N 1 0 403.526 3.905 50 0 HHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(OC)c1 ZINC000012386707 558395525 /nfs/dbraw/zinc/39/55/25/558395525.db2.gz PWTDHFNSZJGFRR-LJQANCHMSA-N 1 0 422.569 3.980 50 0 HHAARO FC(F)(F)c1nnc2ccc(NCCC3CC[NH+](Cc4ccccc4)CC3)nn21 ZINC000020717002 558401595 /nfs/dbraw/zinc/40/15/95/558401595.db2.gz VXZSONQIKZIREK-UHFFFAOYSA-N 1 0 404.440 3.857 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000012432947 558407115 /nfs/dbraw/zinc/40/71/15/558407115.db2.gz SDXUSSIYJXKPSX-FQEVSTJZSA-N 1 0 405.608 3.543 50 0 HHAARO CN(Cc1nc2ccccc2o1)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012438723 558410001 /nfs/dbraw/zinc/41/00/01/558410001.db2.gz UAJMOVQIPDFGJU-HXUWFJFHSA-N 1 0 409.530 3.685 50 0 HHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)c1 ZINC000012438830 558410361 /nfs/dbraw/zinc/41/03/61/558410361.db2.gz SYOTVEJLSOREMZ-JOCHJYFZSA-N 1 0 405.922 3.880 50 0 HHAARO O=C(c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H](O)C1 ZINC000012439107 558410524 /nfs/dbraw/zinc/41/05/24/558410524.db2.gz HMCQOUYNQPNHCJ-SFHVURJKSA-N 1 0 406.954 3.723 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2CCO)cc1 ZINC000020878168 558419733 /nfs/dbraw/zinc/41/97/33/558419733.db2.gz VZJSDKBTQGQFNB-QHCPKHFHSA-N 1 0 420.557 3.544 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906226 558421169 /nfs/dbraw/zinc/42/11/69/558421169.db2.gz XOBPOBDLJMITKE-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)C1 ZINC000012701668 558447729 /nfs/dbraw/zinc/44/77/29/558447729.db2.gz KSXGDLMWXICOPA-LJQANCHMSA-N 1 0 407.514 3.984 50 0 HHAARO Cc1ccc(CN2CCC([NH+]3CCC(C(=O)NCCc4ccccc4)CC3)CC2)o1 ZINC000012717921 558455679 /nfs/dbraw/zinc/45/56/79/558455679.db2.gz MPOHGQGGTFVVES-UHFFFAOYSA-N 1 0 409.574 3.623 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012718893 558456176 /nfs/dbraw/zinc/45/61/76/558456176.db2.gz NLJPQFIPVGDPOA-KRWDZBQOSA-N 1 0 414.527 3.632 50 0 HHAARO C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CCc2c1cccc2Br ZINC000072095138 558460051 /nfs/dbraw/zinc/46/00/51/558460051.db2.gz FMYDDBUAOYRBLT-GOSISDBHSA-N 1 0 403.320 3.807 50 0 HHAARO CCN(C(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1)c1cccc2ccccc21 ZINC000012796513 558469344 /nfs/dbraw/zinc/46/93/44/558469344.db2.gz AYMOBUBWWKUUTL-UHFFFAOYSA-N 1 0 407.558 3.917 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012818009 558476073 /nfs/dbraw/zinc/47/60/73/558476073.db2.gz BJUVPTZYNUAMOV-FGZHOGPDSA-N 1 0 411.521 3.533 50 0 HHAARO C[C@@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC(=O)c1ccccc1 ZINC000022619693 558503036 /nfs/dbraw/zinc/50/30/36/558503036.db2.gz MARZVFGFFSPATJ-LAUBAEHRSA-N 1 0 413.949 3.802 50 0 HHAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1cccc2nsnc21 ZINC000022752299 558507681 /nfs/dbraw/zinc/50/76/81/558507681.db2.gz YRXSLJDQDCDXQE-UHFFFAOYSA-N 1 0 417.538 3.601 50 0 HHAARO O=c1cc(CN2CC[NH+](Cc3ccc(-c4ccccc4)cc3)CC2)nc2sccn21 ZINC000022926483 558523244 /nfs/dbraw/zinc/52/32/44/558523244.db2.gz ZMNADPCXNKYFDJ-UHFFFAOYSA-N 1 0 416.550 3.741 50 0 HHAARO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+]C[C@@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929730 558523739 /nfs/dbraw/zinc/52/37/39/558523739.db2.gz XQDKRDZMJYPTTD-ZEQRLZLVSA-N 1 0 409.574 3.930 50 0 HHAARO OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@@H+]1C1CCCCC1 ZINC000022932878 558525145 /nfs/dbraw/zinc/52/51/45/558525145.db2.gz QLVKWALCCPINQQ-QFIPXVFZSA-N 1 0 414.981 3.998 50 0 HHAARO CC(C)=CC[N@@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO ZINC000023360704 558552084 /nfs/dbraw/zinc/55/20/84/558552084.db2.gz JAMOXTCRXMTERV-NRFANRHFSA-N 1 0 400.954 3.632 50 0 HHAARO CCOCc1cc(CN2CC[N@H+](CC3CCCCC3)[C@@H](CCO)C2)ccc1OC ZINC000023374488 558554031 /nfs/dbraw/zinc/55/40/31/558554031.db2.gz IUCOADGZYWEGDB-QHCPKHFHSA-N 1 0 404.595 3.681 50 0 HHAARO COC[C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000023399112 558556712 /nfs/dbraw/zinc/55/67/12/558556712.db2.gz XNOAZVIRPOFPFD-JOCHJYFZSA-N 1 0 422.569 3.881 50 0 HHAARO COc1ccccc1CC[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717765 558580303 /nfs/dbraw/zinc/58/03/03/558580303.db2.gz SXJLSVQGFXUPSM-UHFFFAOYSA-N 1 0 401.470 3.796 50 0 HHAARO CCn1cc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(=O)c2ccc(C)nc21 ZINC000014129306 558623698 /nfs/dbraw/zinc/62/36/98/558623698.db2.gz JJEDGURKLPYECU-UHFFFAOYSA-N 1 0 410.562 3.643 50 0 HHAARO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000014196821 558633623 /nfs/dbraw/zinc/63/36/23/558633623.db2.gz FJMUUGDJKVCBPY-JTQLQIEISA-N 1 0 410.257 3.721 50 0 HHAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014533781 558657202 /nfs/dbraw/zinc/65/72/02/558657202.db2.gz DZBRAEBIWUOCLF-UHFFFAOYSA-N 1 0 420.557 3.579 50 0 HHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC1CCCCC1)CC2 ZINC000014534896 558657770 /nfs/dbraw/zinc/65/77/70/558657770.db2.gz QMYMCNTYCGLBPQ-UHFFFAOYSA-N 1 0 412.578 3.917 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)COc3cccc(Cl)c3)CC2)c1 ZINC000026955721 558667435 /nfs/dbraw/zinc/66/74/35/558667435.db2.gz SGMYQEVZWWALKU-UHFFFAOYSA-N 1 0 415.965 3.746 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014747519 558669500 /nfs/dbraw/zinc/66/95/00/558669500.db2.gz ZAYFBGDGMHAGNQ-LJQANCHMSA-N 1 0 406.530 3.679 50 0 HHAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014747853 558669743 /nfs/dbraw/zinc/66/97/43/558669743.db2.gz SFBWYCQHYXGVJY-UHFFFAOYSA-N 1 0 414.594 3.815 50 0 HHAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000014963083 558684731 /nfs/dbraw/zinc/68/47/31/558684731.db2.gz LYVQFBNDVGHBEM-OAQYLSRUSA-N 1 0 421.541 3.580 50 0 HHAARO Fc1ccc(-n2cc(C[NH2+]C[C@@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000014964052 558685210 /nfs/dbraw/zinc/68/52/10/558685210.db2.gz CHWFGWHKMLVJFV-GOSISDBHSA-N 1 0 401.869 3.837 50 0 HHAARO CSCCC[NH+]1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000014973714 558688380 /nfs/dbraw/zinc/68/83/80/558688380.db2.gz MXQPSDCXGZONNX-UHFFFAOYSA-N 1 0 402.564 3.681 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccccc1 ZINC000028290704 558696865 /nfs/dbraw/zinc/69/68/65/558696865.db2.gz BTLFVVBJKBAVCF-INIZCTEOSA-N 1 0 415.287 3.588 50 0 HHAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000015000426 558697570 /nfs/dbraw/zinc/69/75/70/558697570.db2.gz WWIKWSYPAUSTHD-OAQYLSRUSA-N 1 0 423.605 3.800 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028293550 558698567 /nfs/dbraw/zinc/69/85/67/558698567.db2.gz DUUABTSIADMIET-OAQYLSRUSA-N 1 0 401.595 3.527 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@H](C)Oc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403200 558699925 /nfs/dbraw/zinc/69/99/25/558699925.db2.gz HYAFUYXIQGJLEC-NRFANRHFSA-N 1 0 401.595 3.527 50 0 HHAARO O=C(c1ccco1)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015066499 558709345 /nfs/dbraw/zinc/70/93/45/558709345.db2.gz ZMVVZYZJWLEGKD-FQEVSTJZSA-N 1 0 400.494 3.952 50 0 HHAARO COc1cccc(C(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000029153403 558710960 /nfs/dbraw/zinc/71/09/60/558710960.db2.gz WVOIIESBKBBSOH-UHFFFAOYSA-N 1 0 421.463 3.656 50 0 HHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C)o2)CC1)c1ccccc1 ZINC000015070397 558712298 /nfs/dbraw/zinc/71/22/98/558712298.db2.gz UBSHTAAWRPQPJH-QFIPXVFZSA-N 1 0 408.502 3.948 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 ZINC000015075190 558715722 /nfs/dbraw/zinc/71/57/22/558715722.db2.gz WHZHYAIEOJYVFB-OAHLLOKOSA-N 1 0 412.481 3.584 50 0 HHAARO CCOc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015372309 558736226 /nfs/dbraw/zinc/73/62/26/558736226.db2.gz OAQWZJCOBXPJGK-QFIPXVFZSA-N 1 0 424.541 3.824 50 0 HHAARO Cc1ccc([C@H](CNC(=O)COc2ccc(Br)cc2)[NH+]2CCCC2)o1 ZINC000015860228 558757794 /nfs/dbraw/zinc/75/77/94/558757794.db2.gz GTOLJQIQJYCRNP-KRWDZBQOSA-N 1 0 407.308 3.683 50 0 HHAARO CC[N@@H+](CC(=O)Nc1nc2c(s1)CCCC2)CC1CCN(c2ccccn2)CC1 ZINC000072305297 558760240 /nfs/dbraw/zinc/76/02/40/558760240.db2.gz LRFKZTAQNUHZJG-UHFFFAOYSA-N 1 0 413.591 3.594 50 0 HHAARO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000022298780 558779301 /nfs/dbraw/zinc/77/93/01/558779301.db2.gz VLFKLHBWWGECIT-NRFANRHFSA-N 1 0 400.950 3.699 50 0 HHAARO CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016751535 558804846 /nfs/dbraw/zinc/80/48/46/558804846.db2.gz MNMKPBHGPOWQBN-OAQYLSRUSA-N 1 0 408.473 3.991 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@@H](C)Cc1cccnc1 ZINC000019228071 558852946 /nfs/dbraw/zinc/85/29/46/558852946.db2.gz VDPPSEUBFVOPON-IBGZPJMESA-N 1 0 405.546 3.775 50 0 HHAARO CSc1ccc(CC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055107738 558872888 /nfs/dbraw/zinc/87/28/88/558872888.db2.gz PCDBQGLUVKCZRG-JOCHJYFZSA-N 1 0 409.599 3.764 50 0 HHAARO CC[N@@H+](Cc1cccc(OCCO)c1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000055244911 558877355 /nfs/dbraw/zinc/87/73/55/558877355.db2.gz LCPNDANJCQSZLQ-QHCPKHFHSA-N 1 0 414.565 3.973 50 0 HHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000055369457 558880375 /nfs/dbraw/zinc/88/03/75/558880375.db2.gz ZXYPIVSTGHBANN-OAQYLSRUSA-N 1 0 409.617 3.949 50 0 HHAARO O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000033128963 558882652 /nfs/dbraw/zinc/88/26/52/558882652.db2.gz DPNNVUYGXXSUKB-UHFFFAOYSA-N 1 0 418.463 3.666 50 0 HHAARO c1ccc(C[NH+]2CCN(c3nc4ccccc4c4nc(-c5cccnc5)nn43)CC2)cc1 ZINC000058062456 558897520 /nfs/dbraw/zinc/89/75/20/558897520.db2.gz JZLZNABIFMDYBY-UHFFFAOYSA-N 1 0 421.508 3.662 50 0 HHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000058159664 558904629 /nfs/dbraw/zinc/90/46/29/558904629.db2.gz KYIQBATULIXAPX-ZDUSSCGKSA-N 1 0 405.420 3.887 50 0 HHAARO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000058328445 558920039 /nfs/dbraw/zinc/92/00/39/558920039.db2.gz DQYGSPIRJKYRBD-LJQANCHMSA-N 1 0 412.509 3.577 50 0 HHAARO Cc1nc(-c2cccc(NC(=O)NC[C@H]([C@@H]3CCOC3)[NH+]3CCCC3)c2)cs1 ZINC000058404620 558924394 /nfs/dbraw/zinc/92/43/94/558924394.db2.gz XIMUDQHOUHAGHM-YLJYHZDGSA-N 1 0 400.548 3.741 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000058406551 558924544 /nfs/dbraw/zinc/92/45/44/558924544.db2.gz ATHGVPMDNOHSEC-UHFFFAOYSA-N 1 0 406.954 3.815 50 0 HHAARO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000060377072 558942448 /nfs/dbraw/zinc/94/24/48/558942448.db2.gz DPZNUWRBZMNAQE-QFIPXVFZSA-N 1 0 422.529 3.665 50 0 HHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CN3CCSc4ccccc43)CC2)cc1 ZINC000033059135 558943369 /nfs/dbraw/zinc/94/33/69/558943369.db2.gz UEYFFMUZPRUQRX-UHFFFAOYSA-N 1 0 409.599 3.936 50 0 HHAARO O=C(c1cc(-c2cncnc2)nc2cc(F)ccc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000063855623 558959674 /nfs/dbraw/zinc/95/96/74/558959674.db2.gz UJIGMRFBQNMPIH-SFHVURJKSA-N 1 0 405.477 3.531 50 0 HHAARO Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(NC2CCCCC2)[nH+]1 ZINC000065364403 558975573 /nfs/dbraw/zinc/97/55/73/558975573.db2.gz QKEHNNHZJHERPY-UHFFFAOYSA-N 1 0 407.562 3.811 50 0 HHAARO COc1ccc2cc(C[N@H+](C)C3CCS(=O)(=O)CC3)c(-c3cccs3)nc2c1 ZINC000072418186 558978108 /nfs/dbraw/zinc/97/81/08/558978108.db2.gz XWOOXRZSALSWOW-UHFFFAOYSA-N 1 0 416.568 3.981 50 0 HHAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3cc(C)sc3n2)CC(C)C)cc1OC ZINC000033068971 558980625 /nfs/dbraw/zinc/98/06/25/558980625.db2.gz MLADRGILJBAGRP-UHFFFAOYSA-N 1 0 401.532 3.740 50 0 HHAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000033264381 558984397 /nfs/dbraw/zinc/98/43/97/558984397.db2.gz PWDBOYYBFNOJHY-JOCHJYFZSA-N 1 0 414.594 3.590 50 0 HHAARO O=C(c1cc(COc2ccc3c(c2)CCCC3)on1)N1CC[NH+](C2CCCC2)CC1 ZINC000067434618 558986522 /nfs/dbraw/zinc/98/65/22/558986522.db2.gz OCNHPOWBPVUGFN-UHFFFAOYSA-N 1 0 409.530 3.833 50 0 HHAARO [NH3+]CC(=O)N1CCOc2c(O)cc(-c3cccc4c3Oc3ccccc3S4)cc2C1 ZINC000067955257 558995076 /nfs/dbraw/zinc/99/50/76/558995076.db2.gz SISPWSUEMKNOKR-UHFFFAOYSA-N 1 0 420.490 3.996 50 0 HHAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1CC ZINC000097164619 558998462 /nfs/dbraw/zinc/99/84/62/558998462.db2.gz QZBDDXVJIIUWLD-CQSZACIVSA-N 1 0 405.873 3.906 50 0 HHAARO Cc1c2cc(Cl)cc(CNC(=O)[C@@H]([NH3+])Cc3cnc[nH]3)c2[nH]c1-c1ccccc1 ZINC000077355944 559002338 /nfs/dbraw/zinc/00/23/38/559002338.db2.gz UMWQEDMFEWEYMT-IBGZPJMESA-N 1 0 407.905 3.706 50 0 HHAARO CC(C)COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000023127696 559016001 /nfs/dbraw/zinc/01/60/01/559016001.db2.gz SKFRAMJTDQSFPG-UHFFFAOYSA-N 1 0 406.548 3.505 50 0 HHAARO CCCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000023127733 559016052 /nfs/dbraw/zinc/01/60/52/559016052.db2.gz OJOVPYNSOYOWIE-UHFFFAOYSA-N 1 0 408.589 3.727 50 0 HHAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082096861 559037583 /nfs/dbraw/zinc/03/75/83/559037583.db2.gz WUVAGZCQZBCYTP-QFIPXVFZSA-N 1 0 410.606 3.551 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nc(N)cc(N)[nH+]2)cc1 ZINC000004748577 559048554 /nfs/dbraw/zinc/04/85/54/559048554.db2.gz WJOXJUGYYTVWOU-UHFFFAOYSA-N 1 0 415.906 3.848 50 0 HHAARO COc1ccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095512901 559084400 /nfs/dbraw/zinc/08/44/00/559084400.db2.gz XAKRDTHSXXCBTB-TUACAJSNSA-N 1 0 401.510 3.879 50 0 HHAARO COc1ccc(-c2cnc3ncnn3c2N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1 ZINC000023452188 559175512 /nfs/dbraw/zinc/17/55/12/559175512.db2.gz DSSTWFLJWOPGKQ-GOSISDBHSA-N 1 0 414.513 3.683 50 0 HHAARO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050033534 559178455 /nfs/dbraw/zinc/17/84/55/559178455.db2.gz IJVQQXZDUWCJLA-DHIUTWEWSA-N 1 0 416.512 3.602 50 0 HHAARO COc1ccc(Nc2cc(C(=O)NCC[NH+]3CCCC3)c3ccccc3n2)c(OC)c1 ZINC000004910132 559201105 /nfs/dbraw/zinc/20/11/05/559201105.db2.gz YTCGPCPOFHRZSQ-UHFFFAOYSA-N 1 0 420.513 3.821 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3CCCC[C@@H]3CC)c21 ZINC000005093308 559244172 /nfs/dbraw/zinc/24/41/72/559244172.db2.gz RLRWJSBKYYIQDT-INIZCTEOSA-N 1 0 415.534 3.875 50 0 HHAARO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409413304 559250575 /nfs/dbraw/zinc/25/05/75/559250575.db2.gz JTLPAQMATCDEIG-YLJYHZDGSA-N 1 0 400.954 3.962 50 0 HHAARO COCC(=O)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1OC)C(C)C ZINC000247985899 559258625 /nfs/dbraw/zinc/25/86/25/559258625.db2.gz IQMZANICZKCOLZ-GHTZIAJQSA-N 1 0 416.587 3.856 50 0 HHAARO COc1ccc(Cl)c2sc(N(CC[NH+](C)C)C(=O)COc3ccccc3)nc21 ZINC000005256915 560550870 /nfs/dbraw/zinc/55/08/70/560550870.db2.gz GNDCHZSQLASLRA-UHFFFAOYSA-N 1 0 419.934 3.932 50 0 HHAARO COc1ccc([N+]2=C3CCCCN3C[C@@]2(O)c2ccc(Br)cc2)cc1 ZINC000001909246 560583843 /nfs/dbraw/zinc/58/38/43/560583843.db2.gz GVDGBNJEDBXBGW-HXUWFJFHSA-N 1 0 402.312 3.718 50 0 HHAARO CSc1nc(C)c(CCC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)n1 ZINC000062582564 560632074 /nfs/dbraw/zinc/63/20/74/560632074.db2.gz BQHRANWZICNVGT-IBGZPJMESA-N 1 0 404.624 3.718 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000101189274 560789052 /nfs/dbraw/zinc/78/90/52/560789052.db2.gz FTUCIZNIMGFHOE-QSSXUJFUSA-N 1 0 403.526 3.905 50 0 HHAARO CCc1ccc(C(=O)c2c[nH+]c3cc(OC)c(OC)cc3c2N2CCOCC2)cc1 ZINC000101552006 560797107 /nfs/dbraw/zinc/79/71/07/560797107.db2.gz HZAFDBNJCFTJCH-UHFFFAOYSA-N 1 0 406.482 3.882 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000046745066 560858192 /nfs/dbraw/zinc/85/81/92/560858192.db2.gz BEJITSPRXGSBIJ-MRXNPFEDSA-N 1 0 412.500 3.553 50 0 HHAARO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000106155122 560884990 /nfs/dbraw/zinc/88/49/90/560884990.db2.gz WBIAMUNDHGLPRS-NQIIRXRSSA-N 1 0 409.555 3.660 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000047417226 560886738 /nfs/dbraw/zinc/88/67/38/560886738.db2.gz BZZQZBSAQVAKDN-HOTGVXAUSA-N 1 0 402.564 3.768 50 0 HHAARO COc1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CC2(c3ccccc3)CCOCC2)cc1 ZINC000012218055 560892403 /nfs/dbraw/zinc/89/24/03/560892403.db2.gz NRARCKVEBDQYNZ-QHCPKHFHSA-N 1 0 422.569 3.914 50 0 HHAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)n(C)n3)nc21 ZINC000012229317 560896029 /nfs/dbraw/zinc/89/60/29/560896029.db2.gz MUXURZLGPVNBQR-UHFFFAOYSA-N 1 0 421.954 3.599 50 0 HHAARO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000107537987 560896587 /nfs/dbraw/zinc/89/65/87/560896587.db2.gz PUNHDKQWQBPEAM-CRAIPNDOSA-N 1 0 403.573 3.723 50 0 HHAARO Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000108983037 568420579 /nfs/dbraw/zinc/42/05/79/568420579.db2.gz AFGKGXBFNGSKOP-RXVVDRJESA-N 1 0 411.571 3.571 50 0 HHAARO CCC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000045974141 568422800 /nfs/dbraw/zinc/42/28/00/568422800.db2.gz IPIWPNFMGGZOPE-UHFFFAOYSA-N 1 0 401.894 3.777 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CN(C)C(=O)c3ccccc3)cc2)C1 ZINC000048310968 568436792 /nfs/dbraw/zinc/43/67/92/568436792.db2.gz LCECOWRJIMYWNX-PMACEKPBSA-N 1 0 407.558 3.553 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(I)c1 ZINC000048342040 568440528 /nfs/dbraw/zinc/44/05/28/568440528.db2.gz PKBIZQBWCZSHGQ-AWEZNQCLSA-N 1 0 400.304 3.676 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(Cn3cncn3)cc2)C1 ZINC000048367438 568442010 /nfs/dbraw/zinc/44/20/10/568442010.db2.gz LZPAJFUBQRJLNG-PMACEKPBSA-N 1 0 417.557 3.734 50 0 HHAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000048374004 568442358 /nfs/dbraw/zinc/44/23/58/568442358.db2.gz CKZGEUCGLQACRO-TXTKFYIRSA-N 1 0 413.606 3.675 50 0 HHAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](CC3CCCCC3)CC2)cc1OC ZINC000000778828 568473790 /nfs/dbraw/zinc/47/37/90/568473790.db2.gz LOTYBGYHRFFDRG-UHFFFAOYSA-N 1 0 402.579 3.997 50 0 HHAARO O=C(CCc1nnc(CCCc2ccccc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000014956562 568474735 /nfs/dbraw/zinc/47/47/35/568474735.db2.gz AJKSIQCZGURCIK-UHFFFAOYSA-N 1 0 410.562 3.654 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007980108 568487801 /nfs/dbraw/zinc/48/78/01/568487801.db2.gz CRZVPCRSJHQBGR-QHCPKHFHSA-N 1 0 420.557 3.884 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)O[C@H](C)C2 ZINC000022804348 568499892 /nfs/dbraw/zinc/49/98/92/568499892.db2.gz JNEXNZCUVPEBRT-YLJYHZDGSA-N 1 0 415.603 3.549 50 0 HHAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc(Br)cc1F ZINC000022932164 568500750 /nfs/dbraw/zinc/50/07/50/568500750.db2.gz HKBQTYUKZLKYIY-UHFFFAOYSA-N 1 0 420.326 3.735 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 ZINC000033435891 568514655 /nfs/dbraw/zinc/51/46/55/568514655.db2.gz MHLQWWCQWMGUQY-UHFFFAOYSA-N 1 0 417.538 3.975 50 0 HHAARO COc1ccc(-c2cc(NC(=O)[C@@H](C)C[NH+]3CCOCC3)ccc2OC(F)F)cc1 ZINC000095453093 568615684 /nfs/dbraw/zinc/61/56/84/568615684.db2.gz UVBYIWLAVDXAMS-HNNXBMFYSA-N 1 0 420.456 3.870 50 0 HHAARO CCOc1cc(C[N@@H+]2CC[C@H](C(N)=O)C2)ccc1OCc1c(F)cccc1Cl ZINC000095453833 568615951 /nfs/dbraw/zinc/61/59/51/568615951.db2.gz DIKZDIZLNIONAE-HNNXBMFYSA-N 1 0 406.885 3.764 50 0 HHAARO Cc1ccc2c(c1)-c1onc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c1CO2 ZINC000020509924 568620671 /nfs/dbraw/zinc/62/06/71/568620671.db2.gz YOOMHGDRVQYWDB-UHFFFAOYSA-N 1 0 403.482 3.937 50 0 HHAARO COCCn1c(C)cc(O)c([C@H](c2ccc(SC)cc2)[NH+]2CCCCC2)c1=O ZINC000021097946 568665465 /nfs/dbraw/zinc/66/54/65/568665465.db2.gz OPJJFSVMRABEEA-NRFANRHFSA-N 1 0 402.560 3.806 50 0 HHAARO CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1OC ZINC000095979800 568675076 /nfs/dbraw/zinc/67/50/76/568675076.db2.gz UUJDJGLWVXALJA-QZTJIDSGSA-N 1 0 408.498 3.791 50 0 HHAARO C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cn1 ZINC000225808100 568676063 /nfs/dbraw/zinc/67/60/63/568676063.db2.gz PQMFNIHTHDVGBW-QFIPXVFZSA-N 1 0 420.582 3.734 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cc4cccc(OC)c4)ccc3n2)CC1 ZINC000021264516 568685688 /nfs/dbraw/zinc/68/56/88/568685688.db2.gz ZVQXMUVNRQCIGV-UHFFFAOYSA-N 1 0 418.541 3.875 50 0 HHAARO O=C(C[C@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCCC[NH+]1CCCC1 ZINC000021530389 568710551 /nfs/dbraw/zinc/71/05/51/568710551.db2.gz IRLHVBBJWAKGMY-JOCHJYFZSA-N 1 0 409.505 3.515 50 0 HHAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000229605432 568714532 /nfs/dbraw/zinc/71/45/32/568714532.db2.gz BKRAGWZUQLQYSL-MSOLQXFVSA-N 1 0 416.319 3.993 50 0 HHAARO Cn1cc([C@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)[NH+](C)C)c2ccccc21 ZINC000021696136 568739865 /nfs/dbraw/zinc/73/98/65/568739865.db2.gz RAHTWHHNWLETGE-QHCPKHFHSA-N 1 0 411.571 3.638 50 0 HHAARO COc1cc(/C=C\C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000096402989 568750495 /nfs/dbraw/zinc/75/04/95/568750495.db2.gz DXBYMFMFECDJJG-LPADLIQXSA-N 1 0 414.502 3.662 50 0 HHAARO Cc1ccc(CNc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021929521 568761522 /nfs/dbraw/zinc/76/15/22/568761522.db2.gz UYXBULMUHYWNDX-UHFFFAOYSA-N 1 0 419.577 3.739 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022579735 568770617 /nfs/dbraw/zinc/77/06/17/568770617.db2.gz FPZHZZRLSYEUAN-QHCPKHFHSA-N 1 0 409.574 3.711 50 0 HHAARO CC[C@H](C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000299754338 568782223 /nfs/dbraw/zinc/78/22/23/568782223.db2.gz BGJGYRYEEYYBGW-CVNLYIMZSA-N 1 0 411.590 3.780 50 0 HHAARO O=C(C[C@@H]1Sc2ccccc2NC1=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000002634779 568791806 /nfs/dbraw/zinc/79/18/06/568791806.db2.gz VPSSNLWRRMSVFP-IBGZPJMESA-N 1 0 401.576 3.795 50 0 HHAARO C[NH2+]CCCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261491974 568820104 /nfs/dbraw/zinc/82/01/04/568820104.db2.gz NSEBBLVLCHXNOI-UHFFFAOYSA-N 1 0 404.345 3.999 50 0 HHAARO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c1 ZINC000057338460 568827133 /nfs/dbraw/zinc/82/71/33/568827133.db2.gz YHDKIIHFFYZXAB-ZDUSSCGKSA-N 1 0 405.292 3.833 50 0 HHAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000057378685 568830126 /nfs/dbraw/zinc/83/01/26/568830126.db2.gz IFVKGSUVXLKMSV-MOPGFXCFSA-N 1 0 407.558 3.976 50 0 HHAARO Cc1nc2c(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cnn2c(C)c1Cc1ccccc1 ZINC000003041055 568847789 /nfs/dbraw/zinc/84/77/89/568847789.db2.gz CHWUHUJTMCYAIB-GOSISDBHSA-N 1 0 419.573 3.931 50 0 HHAARO CC1(C)CC(NC(=O)CSc2nnc(-c3c[nH]c4ccccc43)o2)CC(C)(C)[NH2+]1 ZINC000003320248 568853956 /nfs/dbraw/zinc/85/39/56/568853956.db2.gz XHOLJASEDRDVIX-UHFFFAOYSA-N 1 0 413.547 3.735 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(F)cc3)cc2C)CC1 ZINC000057863893 568864416 /nfs/dbraw/zinc/86/44/16/568864416.db2.gz RUXWLGAIPMILKF-UHFFFAOYSA-N 1 0 414.525 3.819 50 0 HHAARO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@H]([NH+]2CCCC2)C4)c1 ZINC000299762594 568873389 /nfs/dbraw/zinc/87/33/89/568873389.db2.gz XNBZPSJPWSBLFK-KRWDZBQOSA-N 1 0 409.555 3.662 50 0 HHAARO COc1cc2nc(N(C)C)c(C[NH2+]CCc3ccc(F)cc3)cc2c(OC)c1OC ZINC000299794871 568876256 /nfs/dbraw/zinc/87/62/56/568876256.db2.gz KNFNGXJHQOTLBQ-UHFFFAOYSA-N 1 0 413.493 3.798 50 0 HHAARO Cc1nn2c(c1C(=O)N1CCC([NH+]3CCCCC3)CC1)N[C@@H](c1cccc(F)c1)C2 ZINC000263617012 568911288 /nfs/dbraw/zinc/91/12/88/568911288.db2.gz LQHPCASPVMTWBS-HXUWFJFHSA-N 1 0 411.525 3.588 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1Br ZINC000031240211 568920497 /nfs/dbraw/zinc/92/04/97/568920497.db2.gz NBSXICIGIQNFQU-UHFFFAOYSA-N 1 0 420.326 3.530 50 0 HHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@]21O ZINC000004046183 568936233 /nfs/dbraw/zinc/93/62/33/568936233.db2.gz PXZKKURWIUHBFW-XFHMMMKTSA-N 1 0 405.579 3.745 50 0 biogenic HHAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000084185756 568943727 /nfs/dbraw/zinc/94/37/27/568943727.db2.gz FYHUOTSREFSCAZ-MRXNPFEDSA-N 1 0 400.544 3.567 50 0 HHAARO Cc1c(CCN2C(=O)OC3(CC(C)(C)[NH2+]C(C)(C)C3)[C@]2(C)O)c2ccccc2n1C ZINC000004183544 568949791 /nfs/dbraw/zinc/94/97/91/568949791.db2.gz UIQJQWOFGWDCAR-QHCPKHFHSA-N 1 0 413.562 3.869 50 0 HHAARO O=C(Nc1c(F)c(F)cc(F)c1F)[C@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000015678139 568965749 /nfs/dbraw/zinc/96/57/49/568965749.db2.gz KUVYSALZNQKZHV-NNJUXLKUSA-N 1 0 419.378 3.513 50 0 biogenic HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008040260 568970389 /nfs/dbraw/zinc/97/03/89/568970389.db2.gz OTXIXHFBCWPRIT-SFHVURJKSA-N 1 0 401.894 3.627 50 0 HHAARO CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008324414 568990905 /nfs/dbraw/zinc/99/09/05/568990905.db2.gz BALMACCCRLKTAN-QFIPXVFZSA-N 1 0 420.509 3.915 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)Cc1ccccc1 ZINC000008345580 568994504 /nfs/dbraw/zinc/99/45/04/568994504.db2.gz PYZKAGMSNKGBEL-QHCPKHFHSA-N 1 0 416.521 3.586 50 0 HHAARO CCCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C)C1CCC(C)CC1 ZINC000008390607 568996807 /nfs/dbraw/zinc/99/68/07/568996807.db2.gz ALAMIPGORWQNQE-UHFFFAOYSA-N 1 0 406.596 3.707 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1 ZINC000104334854 569008313 /nfs/dbraw/zinc/00/83/13/569008313.db2.gz BTFJEQVQNXNDFY-OAQYLSRUSA-N 1 0 400.588 3.876 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2CCO)c(C)c1C ZINC000104360026 569008363 /nfs/dbraw/zinc/00/83/63/569008363.db2.gz CAHYPYMKZRFOOI-JOCHJYFZSA-N 1 0 407.558 3.862 50 0 HHAARO CC(C)[N@@H+]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1CCO ZINC000104416387 569008609 /nfs/dbraw/zinc/00/86/09/569008609.db2.gz ROBMEYMLOXIAHC-XMMPIXPASA-N 1 0 404.558 3.816 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@H]2CCO)c(C)c1C ZINC000104415315 569008740 /nfs/dbraw/zinc/00/87/40/569008740.db2.gz FTVWJTNMODSIFY-XMMPIXPASA-N 1 0 419.569 3.929 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(F)c3F)C[C@H]2CCO)c(C)c1C ZINC000104548162 569009044 /nfs/dbraw/zinc/00/90/44/569009044.db2.gz LOUCSGNTBIXQCF-HXUWFJFHSA-N 1 0 404.501 3.659 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@H]2CCO)c(C)c1C ZINC000107100456 569009215 /nfs/dbraw/zinc/00/92/15/569009215.db2.gz WNDPZLUVNYFMAG-XMMPIXPASA-N 1 0 419.569 3.929 50 0 HHAARO COc1ccc(C(=O)Nc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cc2)cc1 ZINC000085877266 569009718 /nfs/dbraw/zinc/00/97/18/569009718.db2.gz VINNBNWJBSYDOF-NZQKXSOJSA-N 1 0 421.541 3.942 50 0 biogenic HHAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983512 569009785 /nfs/dbraw/zinc/00/97/85/569009785.db2.gz VAZRBLAKDVLURD-FGZHOGPDSA-N 1 0 400.494 3.607 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868569 569017366 /nfs/dbraw/zinc/01/73/66/569017366.db2.gz IZNQHZPZHPTPKV-IBGZPJMESA-N 1 0 424.589 3.791 50 0 HHAARO O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccnc(-c2cccs2)c1 ZINC000035459909 569038145 /nfs/dbraw/zinc/03/81/45/569038145.db2.gz LNANHHVVAODCIX-UHFFFAOYSA-N 1 0 412.603 3.880 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000229577115 569040642 /nfs/dbraw/zinc/04/06/42/569040642.db2.gz KWNJDAAJXUHYPI-HSALFYBXSA-N 1 0 411.512 3.850 50 0 HHAARO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[N@@H+]5CCC[C@H]5C4)cc3)sc2c1 ZINC000239174418 569054020 /nfs/dbraw/zinc/05/40/20/569054020.db2.gz PZSUYMXJTDFDJP-IBGZPJMESA-N 1 0 406.555 3.990 50 0 HHAARO CS[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@H]1[NH+](C)C ZINC000240871422 569054602 /nfs/dbraw/zinc/05/46/02/569054602.db2.gz IKLPCNRHVPHPLB-NVXWUHKLSA-N 1 0 411.600 3.724 50 0 HHAARO Clc1cccc(-n2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000054302599 569070190 /nfs/dbraw/zinc/07/01/90/569070190.db2.gz MAYOSDODBVNHKW-UHFFFAOYSA-N 1 0 404.905 3.791 50 0 HHAARO COc1ccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000006638909 569077036 /nfs/dbraw/zinc/07/70/36/569077036.db2.gz YWBQUKPVVTZEGK-HXUWFJFHSA-N 1 0 417.347 3.954 50 0 HHAARO COc1ccc([C@H](CNC(=O)Cc2ccc(Br)cc2)[NH+]2CCCC2)cc1 ZINC000006638915 569077142 /nfs/dbraw/zinc/07/71/42/569077142.db2.gz YWBQUKPVVTZEGK-FQEVSTJZSA-N 1 0 417.347 3.954 50 0 HHAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000036095286 569089899 /nfs/dbraw/zinc/08/98/99/569089899.db2.gz PAWORNMZZRBLRK-UGKGYDQZSA-N 1 0 405.922 3.770 50 0 HHAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)c1 ZINC000036098451 569090919 /nfs/dbraw/zinc/09/09/19/569090919.db2.gz OYEFUSAFAUPDJL-NRFANRHFSA-N 1 0 421.493 3.866 50 0 HHAARO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103468 569092064 /nfs/dbraw/zinc/09/20/64/569092064.db2.gz KDSMPRFMIJRRFU-QGZVFWFLSA-N 1 0 401.484 3.650 50 0 HHAARO Cc1ccc(C)c(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000064800389 569097372 /nfs/dbraw/zinc/09/73/72/569097372.db2.gz WGPBREMEMJTYTI-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145973 569098615 /nfs/dbraw/zinc/09/86/15/569098615.db2.gz QTKJEPAJRPVJCC-RTWAWAEBSA-N 1 0 402.922 3.733 50 0 HHAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000064817989 569101277 /nfs/dbraw/zinc/10/12/77/569101277.db2.gz JQRLHOPRQBOOTB-UHFFFAOYSA-N 1 0 419.569 3.793 50 0 HHAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](C)O ZINC000036307450 569129544 /nfs/dbraw/zinc/12/95/44/569129544.db2.gz NLVJXOUCAHRTIP-KRWDZBQOSA-N 1 0 413.493 3.848 50 0 HHAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340829 569141450 /nfs/dbraw/zinc/14/14/50/569141450.db2.gz HNTLGIMHGZCWHA-HXUWFJFHSA-N 1 0 414.569 3.750 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036343747 569142406 /nfs/dbraw/zinc/14/24/06/569142406.db2.gz SVMURFTUPGLKPE-QHCPKHFHSA-N 1 0 424.976 3.964 50 0 HHAARO COc1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(-n2cccc2)cc1OC ZINC000036358272 569149534 /nfs/dbraw/zinc/14/95/34/569149534.db2.gz VREHTUOGNGBJFT-UHFFFAOYSA-N 1 0 419.525 3.889 50 0 HHAARO COc1ccc2oc(-c3noc(C(=O)NCCC[NH+]4CCCCCC4)n3)c(C)c2c1 ZINC000065010345 569153526 /nfs/dbraw/zinc/15/35/26/569153526.db2.gz BTVQQQRZVZVRJN-UHFFFAOYSA-N 1 0 412.490 3.796 50 0 HHAARO C[C@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000065031760 569157559 /nfs/dbraw/zinc/15/75/59/569157559.db2.gz IKBWCODKSATGDS-IBGZPJMESA-N 1 0 418.541 3.912 50 0 HHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[N@H+]1CCCC[C@H]1C)C(=O)c1cccnc1O2 ZINC000006878077 569165008 /nfs/dbraw/zinc/16/50/08/569165008.db2.gz LTCCSDIZLAMOOM-GOSISDBHSA-N 1 0 422.529 3.523 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CNC(=O)c2ccccc2Cl)C1 ZINC000036394276 569168033 /nfs/dbraw/zinc/16/80/33/569168033.db2.gz YCUDOWFPEIQMIP-KRWDZBQOSA-N 1 0 413.949 3.618 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000065136769 569183499 /nfs/dbraw/zinc/18/34/99/569183499.db2.gz INFIXQIOBXSUDV-MOPGFXCFSA-N 1 0 418.557 3.840 50 0 HHAARO CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+](C)C)cc1OCC ZINC000006937980 569185354 /nfs/dbraw/zinc/18/53/54/569185354.db2.gz JITMFJFTWHYNRO-HXUWFJFHSA-N 1 0 400.519 3.915 50 0 HHAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+](C)C)cc1OCC ZINC000006937977 569185386 /nfs/dbraw/zinc/18/53/86/569185386.db2.gz JITMFJFTWHYNRO-FQEVSTJZSA-N 1 0 400.519 3.915 50 0 HHAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1 ZINC000065178369 569191818 /nfs/dbraw/zinc/19/18/18/569191818.db2.gz HEWQDOPHRDTTQG-UHFFFAOYSA-N 1 0 410.587 3.518 50 0 HHAARO CCc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)cc1 ZINC000065256386 569208361 /nfs/dbraw/zinc/20/83/61/569208361.db2.gz BWMLITWOZYROBX-QHCPKHFHSA-N 1 0 400.526 3.725 50 0 HHAARO COc1ccc(OC)c(NC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)c1 ZINC000065256374 569208426 /nfs/dbraw/zinc/20/84/26/569208426.db2.gz RNHHRHSRPRHXDA-NRFANRHFSA-N 1 0 418.497 3.502 50 0 HHAARO O=C(c1ccoc1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265650 569213006 /nfs/dbraw/zinc/21/30/06/569213006.db2.gz VNASALYEAAAIGT-UHFFFAOYSA-N 1 0 401.470 3.595 50 0 biogenic HHAARO Cc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1-c1ccccc1 ZINC000007229807 569229361 /nfs/dbraw/zinc/22/93/61/569229361.db2.gz SCODTPKDNNPNSI-UHFFFAOYSA-N 1 0 407.543 3.902 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065512513 569233234 /nfs/dbraw/zinc/23/32/34/569233234.db2.gz LRKYTJGKSXCYDT-VQTJNVASSA-N 1 0 413.512 3.820 50 0 HHAARO COc1cn(CC(=O)Nc2cccc3ccccc32)c(C[NH+]2CCCCC2)cc1=O ZINC000016974433 569269593 /nfs/dbraw/zinc/26/95/93/569269593.db2.gz OGTAVZAXJNGTKU-UHFFFAOYSA-N 1 0 405.498 3.635 50 0 HHAARO O=C1Nc2cc(Br)ccc2[C@@H]1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000252513447 569292171 /nfs/dbraw/zinc/29/21/71/569292171.db2.gz ZZWMEUORAUBYTE-WBVHZDCISA-N 1 0 405.292 3.759 50 0 HHAARO CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654879 569295415 /nfs/dbraw/zinc/29/54/15/569295415.db2.gz WJBOWKAXLZCAJA-AUSIDOKSSA-N 1 0 408.542 3.756 50 0 HHAARO O=C(COc1ccc(Br)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000007687172 569300798 /nfs/dbraw/zinc/30/07/98/569300798.db2.gz VZESHICASCYQEU-INIZCTEOSA-N 1 0 409.349 3.843 50 0 HHAARO COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000037559637 569306782 /nfs/dbraw/zinc/30/67/82/569306782.db2.gz HKGBXHOBKUMZQO-UHFFFAOYSA-N 1 0 412.530 3.656 50 0 HHAARO CCCCn1nc(C)c(CNCc2ccc(OCC[NH+](C)C)c(OC)c2)c1Cl ZINC000065980331 569307389 /nfs/dbraw/zinc/30/73/89/569307389.db2.gz MJRQHTBORIQFAC-UHFFFAOYSA-N 1 0 408.974 3.884 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@H+]3C[C@H](C)C[C@H](C)C3)c21 ZINC000002260084 569324976 /nfs/dbraw/zinc/32/49/76/569324976.db2.gz QULKUUWSBDULNO-GASCZTMLSA-N 1 0 415.534 3.588 50 0 HHAARO CCOC(=O)c1ccc(Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000253470508 569380914 /nfs/dbraw/zinc/38/09/14/569380914.db2.gz AHRUXHLRTWIMHN-UHFFFAOYSA-N 1 0 406.530 3.633 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013058861 569408256 /nfs/dbraw/zinc/40/82/56/569408256.db2.gz JYHUKAJHYDOKEX-GOSISDBHSA-N 1 0 417.575 3.623 50 0 HHAARO OCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000013063639 569408475 /nfs/dbraw/zinc/40/84/75/569408475.db2.gz DZYHFIDFXUNEFW-FCHUYYIVSA-N 1 0 405.485 3.669 50 0 HHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000078716641 569419864 /nfs/dbraw/zinc/41/98/64/569419864.db2.gz WCJZBILMZSBRCV-SFHVURJKSA-N 1 0 401.576 3.822 50 0 HHAARO CCOC(=O)C[C@H](NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)c1ccccc1 ZINC000008607929 571093031 /nfs/dbraw/zinc/09/30/31/571093031.db2.gz PRHNPNLYOGNCGQ-QFIPXVFZSA-N 1 0 415.578 3.834 50 0 HHAARO COc1ccc(Cl)cc1CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000040012793 571138336 /nfs/dbraw/zinc/13/83/36/571138336.db2.gz OQNYAJJBTMZQQN-LJQANCHMSA-N 1 0 402.922 3.853 50 0 HHAARO COc1cccc(CNC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000008912266 571148398 /nfs/dbraw/zinc/14/83/98/571148398.db2.gz NWUDMMCMPRDTPT-UHFFFAOYSA-N 1 0 410.543 3.535 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1ccsc1 ZINC000040089478 571159386 /nfs/dbraw/zinc/15/93/86/571159386.db2.gz RVZMWBGVXPQMEH-MBOZVWFJSA-N 1 0 416.591 3.570 50 0 HHAARO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2I)CCCC1 ZINC000040121159 571177176 /nfs/dbraw/zinc/17/71/76/571177176.db2.gz HBKDUNCNXSWSMK-UHFFFAOYSA-N 1 0 406.695 3.549 50 0 HHAARO CCN1C[C@H](CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000040150361 571198782 /nfs/dbraw/zinc/19/87/82/571198782.db2.gz KAXPYYWCGNHXRO-QFIPXVFZSA-N 1 0 407.558 3.645 50 0 HHAARO CC1CC[NH+](CCCCNC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000040151782 571199520 /nfs/dbraw/zinc/19/95/20/571199520.db2.gz DXXQPTUFEXRBHX-PMACEKPBSA-N 1 0 402.583 3.934 50 0 HHAARO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccc2)C3)c1C ZINC000069848260 571247023 /nfs/dbraw/zinc/24/70/23/571247023.db2.gz KEIISDYZZYOWGU-KRWDZBQOSA-N 1 0 403.530 3.662 50 0 HHAARO O=C1c2cccn2CC[C@@H]1[C@@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1 ZINC000009498922 571263202 /nfs/dbraw/zinc/26/32/02/571263202.db2.gz XNYMQHDWHOGCCD-QUCCMNQESA-N 1 0 412.307 3.523 50 0 HHAARO COc1ccc(-n2ncc(C(=O)Nc3cccc(C(C)=O)c3)c2C2CC[NH2+]CC2)cc1 ZINC000009728040 571282721 /nfs/dbraw/zinc/28/27/21/571282721.db2.gz MMXMCTFTHGRHBB-UHFFFAOYSA-N 1 0 418.497 3.803 50 0 HHAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010225465 571297411 /nfs/dbraw/zinc/29/74/11/571297411.db2.gz MSENIPBDQJLPEP-UHFFFAOYSA-N 1 0 416.525 3.878 50 0 HHAARO CC(=O)Nc1nc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000012390534 571304638 /nfs/dbraw/zinc/30/46/38/571304638.db2.gz QWMPSCQWHZLMBQ-UHFFFAOYSA-N 1 0 408.527 3.649 50 0 HHAARO O=C(Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1)c1ccc2ccccc2n1 ZINC000077100903 571311478 /nfs/dbraw/zinc/31/14/78/571311478.db2.gz OIMKJMFNMYGRND-UHFFFAOYSA-N 1 0 424.508 3.599 50 0 HHAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 ZINC000011813123 962198151 /nfs/dbraw/zinc/19/81/51/962198151.db2.gz NHLLJAFMIVHTPO-HSZRJFAPSA-N 1 0 417.557 3.520 50 0 HHAARO C/C=C(\C)C[NH+]1CCN(c2cccc3c2C(=O)N(CCc2ccccc2F)C3=O)CC1 ZINC000011840003 962200468 /nfs/dbraw/zinc/20/04/68/962200468.db2.gz TWRSXHJWANSAKN-JFQJCAQQSA-N 1 0 421.516 3.753 50 0 HHAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3CCCn3cccn3)cc2)n1 ZINC000011838298 962200914 /nfs/dbraw/zinc/20/09/14/962200914.db2.gz OMJHYCVNKAQONC-JOCHJYFZSA-N 1 0 406.534 3.569 50 0 HHAARO O=C(Nc1cccc(N2CCNC2=O)c1)[C@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000011841271 962201207 /nfs/dbraw/zinc/20/12/07/962201207.db2.gz FLJUGRMWZQIZJI-LJQANCHMSA-N 1 0 410.543 3.519 50 0 HHAARO CC(C)C[N@@H+]1CC[C@@H](CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000011874651 962205082 /nfs/dbraw/zinc/20/50/82/962205082.db2.gz IJBYVXJTAFJFMH-SFHVURJKSA-N 1 0 422.529 3.852 50 0 HHAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000011999609 962221305 /nfs/dbraw/zinc/22/13/05/962221305.db2.gz NKJYUCKWVAIBPL-UHFFFAOYSA-N 1 0 416.525 3.836 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)Cn2cccn2)C2CCCC2)CC1 ZINC000012020652 962223791 /nfs/dbraw/zinc/22/37/91/962223791.db2.gz CYMUZEKRPKIDCT-UHFFFAOYSA-N 1 0 408.590 3.917 50 0 HHAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000012072555 962233117 /nfs/dbraw/zinc/23/31/17/962233117.db2.gz JMUUVSQBKAAQEE-NRFANRHFSA-N 1 0 413.606 3.774 50 0 HHAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000012123446 962243717 /nfs/dbraw/zinc/24/37/17/962243717.db2.gz HPJJZRLNQVABJH-IBGZPJMESA-N 1 0 411.575 3.774 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2sc(C(=O)NC3CCCCC3)c(C)c21 ZINC000012135687 962244688 /nfs/dbraw/zinc/24/46/88/962244688.db2.gz FHUSVZJYRQFBRN-MRXNPFEDSA-N 1 0 401.580 3.958 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCc1ccccc1OC)C3 ZINC000012149103 962246471 /nfs/dbraw/zinc/24/64/71/962246471.db2.gz LHARTICEPWMZBB-QGZVFWFLSA-N 1 0 411.571 3.956 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012314583 962268290 /nfs/dbraw/zinc/26/82/90/962268290.db2.gz WXMFNKAHJCCSQN-DEOSSOPVSA-N 1 0 415.505 3.585 50 0 HHAARO CCOC(=O)N1CCC([NH+]2CCC3(C[C@@H]3C(=O)Nc3cc(C)cc(C)c3)CC2)CC1 ZINC000012331343 962271932 /nfs/dbraw/zinc/27/19/32/962271932.db2.gz CQCCPAVVHOWEFD-OAQYLSRUSA-N 1 0 413.562 3.965 50 0 HHAARO CCOC(=O)N1CCC([NH+]2CCC3(C[C@H]3C(=O)Nc3cc(C)cc(C)c3)CC2)CC1 ZINC000012331345 962272426 /nfs/dbraw/zinc/27/24/26/962272426.db2.gz CQCCPAVVHOWEFD-NRFANRHFSA-N 1 0 413.562 3.965 50 0 HHAARO COCc1ccc(C[NH+]2CCC(CCC(=O)Nc3ccc4c(c3)OCCO4)CC2)o1 ZINC000012430636 962278457 /nfs/dbraw/zinc/27/84/57/962278457.db2.gz SGONGRMZXNNBAB-UHFFFAOYSA-N 1 0 414.502 3.828 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccnc(Cl)c3)CC2)cc1 ZINC000012443105 962281084 /nfs/dbraw/zinc/28/10/84/962281084.db2.gz OGAQKZDDTJISBD-UHFFFAOYSA-N 1 0 401.938 3.770 50 0 HHAARO COCc1ccc(CN2CCOc3ccc(C[N@H+]4CCC[C@@H](COC)C4)cc3C2)o1 ZINC000012454054 962282119 /nfs/dbraw/zinc/28/21/19/962282119.db2.gz PTZCBTQBEPOFFK-HXUWFJFHSA-N 1 0 414.546 3.679 50 0 HHAARO Cc1c2ccc(C)cc2oc1C(=O)N1CCC([NH+]2CCC(C(=O)NC3CC3)CC2)CC1 ZINC000012464638 962284296 /nfs/dbraw/zinc/28/42/96/962284296.db2.gz ASOSEZNOEIGBHE-UHFFFAOYSA-N 1 0 423.557 3.645 50 0 HHAARO CN(C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCOC1 ZINC000012612986 962301113 /nfs/dbraw/zinc/30/11/13/962301113.db2.gz NJPAHDCDNKKFQD-GOSISDBHSA-N 1 0 406.954 3.987 50 0 HHAARO Cn1cc(C[N@@H+]2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 ZINC000012711242 962316390 /nfs/dbraw/zinc/31/63/90/962316390.db2.gz AMNYHIHGDBCMRK-HSZRJFAPSA-N 1 0 416.525 3.763 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ccccc2SC)CC1 ZINC000012748286 962324333 /nfs/dbraw/zinc/32/43/33/962324333.db2.gz BYMWNYVFJNWGDV-LJQANCHMSA-N 1 0 417.619 3.641 50 0 HHAARO O=C1C[N@@H+](C2Cc3ccccc3C2)C[C@@H](OCc2ccccn2)CN1C1CCCCC1 ZINC000014531590 962525357 /nfs/dbraw/zinc/52/53/57/962525357.db2.gz XDDPWSDYICWHCV-RUZDIDTESA-N 1 0 419.569 3.611 50 0 HHAARO O=C1NC(=O)[C@@](CCc2ccccc2)(C2CC[NH+](CCCc3ccccc3)CC2)N1 ZINC000014880705 962597509 /nfs/dbraw/zinc/59/75/09/962597509.db2.gz ZDOINIBUFSKHFJ-RUZDIDTESA-N 1 0 405.542 3.542 50 0 HHAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1CC12CC[NH+](Cc1cccnc1)CC2 ZINC000014882145 962597688 /nfs/dbraw/zinc/59/76/88/962597688.db2.gz LNOGCZWNUYEYNL-QHCPKHFHSA-N 1 0 419.569 3.548 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 ZINC000014954130 962612588 /nfs/dbraw/zinc/61/25/88/962612588.db2.gz ISFFNYAWFDTWES-QHCPKHFHSA-N 1 0 413.493 3.828 50 0 HHAARO O=C(c1ccc(Cl)cc1)N1CCOc2ccc(C[N@H+]3CCCC[C@H]3CO)cc2C1 ZINC000014970800 962614699 /nfs/dbraw/zinc/61/46/99/962614699.db2.gz RHLAEWOQNVYLFH-NRFANRHFSA-N 1 0 414.933 3.722 50 0 HHAARO O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000015068656 962647664 /nfs/dbraw/zinc/64/76/64/962647664.db2.gz DDVUSBQXFNNLJX-PKTZIBPZSA-N 1 0 420.553 3.904 50 0 HHAARO COc1ccc(NC(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)cc1Cl ZINC000015078231 962651386 /nfs/dbraw/zinc/65/13/86/962651386.db2.gz WRUKRBKAGSRKIM-GOSISDBHSA-N 1 0 402.926 3.914 50 0 HHAARO COc1ccc(OC)c2nc(N3CCOCC3)c(C[NH2+]C[C@@H](C)c3ccccc3)cc12 ZINC000019229349 963357398 /nfs/dbraw/zinc/35/73/98/963357398.db2.gz QXCBEMBFKLTTDS-GOSISDBHSA-N 1 0 421.541 3.982 50 0 HHAARO COc1ccc(OC)c2nc(N3CCOCC3)c(C[NH2+]C[C@H](C)c3ccccc3)cc12 ZINC000019229350 963357454 /nfs/dbraw/zinc/35/74/54/963357454.db2.gz QXCBEMBFKLTTDS-SFHVURJKSA-N 1 0 421.541 3.982 50 0 HHAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000019794993 963374602 /nfs/dbraw/zinc/37/46/02/963374602.db2.gz WTXQTXFLCNYJEU-LJQANCHMSA-N 1 0 418.541 3.529 50 0 HHAARO COCc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000019836695 963374626 /nfs/dbraw/zinc/37/46/26/963374626.db2.gz JTFODVSMNAUHED-LJQANCHMSA-N 1 0 402.535 3.582 50 0 HHAARO Cn1cnnc1Sc1ccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)o1 ZINC000020997755 963410593 /nfs/dbraw/zinc/41/05/93/963410593.db2.gz FXAFTAUZIMJIPL-LJQANCHMSA-N 1 0 409.559 3.582 50 0 HHAARO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000022312748 963632110 /nfs/dbraw/zinc/63/21/10/963632110.db2.gz QMESPOBNCNYCAP-RGFVMQALSA-N 1 0 409.555 3.841 50 0 HHAARO Cc1cccc(-n2cc(C[NH2+]CCN3CCC[C@H](O)C3)c(-c3cccc(F)c3)n2)c1 ZINC000022851351 963729575 /nfs/dbraw/zinc/72/95/75/963729575.db2.gz KEVMWELNYRIVDM-QHCPKHFHSA-N 1 0 408.521 3.533 50 0 HHAARO CC(=O)Nc1cccc2nc(CN3CC[N@H+](CC4CCCCC4)[C@@H](CCO)C3)ccc21 ZINC000023374343 963811045 /nfs/dbraw/zinc/81/10/45/963811045.db2.gz PNMDALKBRJJUJF-QFIPXVFZSA-N 1 0 424.589 3.642 50 0 HHAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000055271576 965800595 /nfs/dbraw/zinc/80/05/95/965800595.db2.gz RHDAHQGRKIMVQA-NRFANRHFSA-N 1 0 409.617 3.732 50 0 HHAARO C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108351347 969376097 /nfs/dbraw/zinc/37/60/97/969376097.db2.gz VZUKITQPOHGDGQ-ZMYBRWDISA-N 1 0 407.297 3.909 50 0 HHAARO COc1cccc(C(=O)N2CCC([N@H+](Cc3ccccc3)C3CCOCC3)CC2)c1 ZINC000169759108 970470350 /nfs/dbraw/zinc/47/03/50/970470350.db2.gz NXQCLLQDCANLCX-UHFFFAOYSA-N 1 0 408.542 3.981 50 0 HHAARO COc1ccc(C2(C(=O)N3CCCCC[C@@H]3C[NH+]3CCC(OC)CC3)CC2)cc1 ZINC000169791639 970482931 /nfs/dbraw/zinc/48/29/31/970482931.db2.gz ZZAKDRXQASBYRM-HXUWFJFHSA-N 1 0 400.563 3.609 50 0 HHAARO CC[N@H+](CCNC(=O)[C@]12CCC=C1N(C1CCCC1)C(=O)CC2)Cc1ccccc1 ZINC000169788445 970483094 /nfs/dbraw/zinc/48/30/94/970483094.db2.gz AEWQJEBDDJWDGF-VWLOTQADSA-N 1 0 409.574 3.854 50 0 HHAARO O=C1CC[N@H+](CC2CCCCC2)CCC[C@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257183773 970620746 /nfs/dbraw/zinc/62/07/46/970620746.db2.gz HXPJAMGCSZYEDD-IBGZPJMESA-N 1 0 411.550 3.788 50 0 HHAARO O=C1CC[N@H+](CC2CCCCC2)CCC[C@@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257183774 970620837 /nfs/dbraw/zinc/62/08/37/970620837.db2.gz HXPJAMGCSZYEDD-LJQANCHMSA-N 1 0 411.550 3.788 50 0 HHAARO CCOC1CC(C[NH2+]Cc2cc(-c3ccccc3)ccc2OC)(N2CCOCC2)C1 ZINC000444004222 986201209 /nfs/dbraw/zinc/20/12/09/986201209.db2.gz LIIYGKUMEVOOCQ-UHFFFAOYSA-N 1 0 410.558 3.722 50 0 HHAARO O=C(C[NH+]1CCCC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000004103832 132271192 /nfs/dbraw/zinc/27/11/92/132271192.db2.gz LDPNMAIEXWXDEO-UHFFFAOYSA-N 1 0 418.493 3.747 50 0 HHAARO Cc1cccc(C)c1NC(=S)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004791662 132288744 /nfs/dbraw/zinc/28/87/44/132288744.db2.gz RIMBKZPDYWGMGD-UHFFFAOYSA-N 1 0 400.567 3.941 50 0 HHAARO O=C(Nc1ccc(F)cc1F)c1cccnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000005768945 132307858 /nfs/dbraw/zinc/30/78/58/132307858.db2.gz XZVAKTUJLQJKMX-UHFFFAOYSA-N 1 0 408.452 3.934 50 0 HHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000006857506 132319242 /nfs/dbraw/zinc/31/92/42/132319242.db2.gz VEXQAPPQCYVQTI-QZTJIDSGSA-N 1 0 403.592 3.675 50 0 HHAARO O=c1oc2ccccc2c(N2CCN(c3ccccc3F)CC2)c1C[NH+]1CCCC1 ZINC000007504108 132324825 /nfs/dbraw/zinc/32/48/25/132324825.db2.gz INPFTWOXVGYHEI-UHFFFAOYSA-N 1 0 407.489 3.855 50 0 HHAARO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C/c2ccccc2F)CC1 ZINC000009220739 132337259 /nfs/dbraw/zinc/33/72/59/132337259.db2.gz KNANHQHOYLNBDZ-RMKNXTFCSA-N 1 0 418.310 3.992 50 0 HHAARO O=S(=O)(Nc1ccc(N2CCC([NH2+]Cc3ccco3)CC2)cc1)c1ccccc1 ZINC000012246636 132357833 /nfs/dbraw/zinc/35/78/33/132357833.db2.gz HPXLSRVEPNPRJE-UHFFFAOYSA-N 1 0 411.527 3.839 50 0 HHAARO Cc1nn(C)cc1C[NH2+]C1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)CC1 ZINC000012509561 132361126 /nfs/dbraw/zinc/36/11/26/132361126.db2.gz ZEYKYTPNBSUXAS-UHFFFAOYSA-N 1 0 421.520 3.879 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)CC1 ZINC000012552430 132363207 /nfs/dbraw/zinc/36/32/07/132363207.db2.gz SFIJWIWAWCIQEQ-UHFFFAOYSA-N 1 0 408.477 3.804 50 0 HHAARO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000023003667 132477048 /nfs/dbraw/zinc/47/70/48/132477048.db2.gz CBAAFKPTZHGDNZ-UHFFFAOYSA-N 1 0 404.514 3.891 50 0 HHAARO CC(C)N1C[C@H]([NH2+]Cc2ccccc2Cl)C[C@H]1C(=O)NCCc1ccccc1F ZINC000032541121 519697981 /nfs/dbraw/zinc/69/79/81/519697981.db2.gz BUXWZGMQFDVHAB-KNQAVFIVSA-N 1 0 417.956 3.779 50 0 HHAARO CC1(C)CC(NC(=O)c2ccc3c(c2)ncn(-c2ccc(F)cc2)c3=O)CC(C)(C)[NH2+]1 ZINC000032105719 520285916 /nfs/dbraw/zinc/28/59/16/520285916.db2.gz NSQOYBFNVYMGFU-UHFFFAOYSA-N 1 0 422.504 3.564 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(C/C=C/c3ccc(OC)cc3)C[C@H]2CCO)cc1 ZINC000036385775 520971353 /nfs/dbraw/zinc/97/13/53/520971353.db2.gz MBXADFLSFSJJOZ-NVIZVJJSSA-N 1 0 410.558 3.676 50 0 HHAARO COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OCC(=O)NC(C)(C)C ZINC000019922656 522455780 /nfs/dbraw/zinc/45/57/80/522455780.db2.gz PFYDISYBGPBFFD-UHFFFAOYSA-N 1 0 404.938 3.974 50 0 HHAARO CC[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959606 522528719 /nfs/dbraw/zinc/52/87/19/522528719.db2.gz ATYAXPDPKWMATM-IBGZPJMESA-N 1 0 424.570 3.824 50 0 HHAARO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856970 522669733 /nfs/dbraw/zinc/66/97/33/522669733.db2.gz WCCOUMUDNAYZBC-JOCHJYFZSA-N 1 0 414.571 3.570 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000032675970 523927294 /nfs/dbraw/zinc/92/72/94/523927294.db2.gz MAAWTSIHWZATSZ-UHFFFAOYSA-N 1 0 410.518 3.882 50 0 HHAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)n1 ZINC000040104874 524494820 /nfs/dbraw/zinc/49/48/20/524494820.db2.gz XLOLJMYOTNIWER-REWPJTCUSA-N 1 0 421.545 3.522 50 0 HHAARO Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000020599075 525223968 /nfs/dbraw/zinc/22/39/68/525223968.db2.gz DRDDOIXICGKSIT-RUZDIDTESA-N 1 0 415.585 3.967 50 0 HHAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](CCCn4cccn4)C3)CC2)c1 ZINC000020542365 527685729 /nfs/dbraw/zinc/68/57/29/527685729.db2.gz JWLKDDYQFIWICX-OAQYLSRUSA-N 1 0 421.511 3.579 50 0 HHAARO COc1ccc2c(C)nc(N3CCC([NH2+][C@@H](C)CCCC(C)(C)O)CC3)nc2c1 ZINC000012154726 536964029 /nfs/dbraw/zinc/96/40/29/536964029.db2.gz OELDTOUSOXGUST-INIZCTEOSA-N 1 0 400.567 3.835 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740525 557444148 /nfs/dbraw/zinc/44/41/48/557444148.db2.gz RPICABBINFTRDJ-NFBKMPQASA-N 1 0 415.553 3.511 50 0 HHAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1c(F)cccc1Cl ZINC000005019804 557626516 /nfs/dbraw/zinc/62/65/16/557626516.db2.gz WCWIJPTWZHFJRR-UHFFFAOYSA-N 1 0 422.928 3.879 50 0 HHAARO CCOc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc(Cl)c1OC ZINC000006767726 557720513 /nfs/dbraw/zinc/72/05/13/557720513.db2.gz NOOPJUUNVCNBNX-UHFFFAOYSA-N 1 0 419.938 3.605 50 0 HHAARO COc1ccc([C@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCC3)cc1 ZINC000002966173 557777611 /nfs/dbraw/zinc/77/76/11/557777611.db2.gz XDPYRXJQOQODGX-HXUWFJFHSA-N 1 0 402.312 3.718 50 0 HHAARO Cc1nc(CSc2ccc(C(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)cc2)cs1 ZINC000022694138 557782743 /nfs/dbraw/zinc/78/27/43/557782743.db2.gz SZHKYRHOWDBNMO-IBGZPJMESA-N 1 0 419.616 3.830 50 0 HHAARO C[NH+]1CCN([C@@H](CNC(=O)NCc2cccc3ccccc32)c2ccsc2)CC1 ZINC000022767025 557815065 /nfs/dbraw/zinc/81/50/65/557815065.db2.gz YTJGCGUHMMDPTM-QFIPXVFZSA-N 1 0 408.571 3.689 50 0 HHAARO CCOC(=O)c1sc2cccc(F)c2c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022777088 557816738 /nfs/dbraw/zinc/81/67/38/557816738.db2.gz AVIQOXDRCFCZPU-OAHLLOKOSA-N 1 0 406.523 3.514 50 0 HHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCCc1cccs1 ZINC000022802304 557824431 /nfs/dbraw/zinc/82/44/31/557824431.db2.gz RYENSSBYAWZHSO-UHFFFAOYSA-N 1 0 419.594 3.814 50 0 HHAARO OCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000011698870 558270278 /nfs/dbraw/zinc/27/02/78/558270278.db2.gz HUPLKWNOORHJSY-SANMLTNESA-N 1 0 408.586 3.978 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000011713218 558271407 /nfs/dbraw/zinc/27/14/07/558271407.db2.gz OXHHSAFIKQUMSV-QGZVFWFLSA-N 1 0 415.534 3.748 50 0 HHAARO CN(C[C@H]1CCCCO1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011818060 558281285 /nfs/dbraw/zinc/28/12/85/558281285.db2.gz ABCRPPHVKGQIKF-XMMPIXPASA-N 1 0 423.557 3.766 50 0 HHAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794688 558284022 /nfs/dbraw/zinc/28/40/22/558284022.db2.gz FXCBDRDNWHMBSG-QHCPKHFHSA-N 1 0 407.558 3.684 50 0 HHAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000011844654 558289239 /nfs/dbraw/zinc/28/92/39/558289239.db2.gz MULCUDBIOJSHQU-ZDUSSCGKSA-N 1 0 405.882 3.521 50 0 HHAARO OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@@H+]1C1CCCCC1 ZINC000019836923 558293003 /nfs/dbraw/zinc/29/30/03/558293003.db2.gz QLVKWALCCPINQQ-JOCHJYFZSA-N 1 0 414.981 3.998 50 0 HHAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000011910977 558296884 /nfs/dbraw/zinc/29/68/84/558296884.db2.gz YHOONRXVGGIWAB-GOSISDBHSA-N 1 0 415.541 3.591 50 0 HHAARO CN(Cc1ccco1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011937378 558301016 /nfs/dbraw/zinc/30/10/16/558301016.db2.gz ZNJKOIIJTGPTHS-UHFFFAOYSA-N 1 0 405.498 3.990 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011948165 558302432 /nfs/dbraw/zinc/30/24/32/558302432.db2.gz IKLPMBQMSIWNOA-VWLOTQADSA-N 1 0 408.590 3.793 50 0 HHAARO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019902211 558305336 /nfs/dbraw/zinc/30/53/36/558305336.db2.gz CGUBGAGWFOCETQ-JOCHJYFZSA-N 1 0 415.965 3.846 50 0 HHAARO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011997360 558307192 /nfs/dbraw/zinc/30/71/92/558307192.db2.gz PZOHRHDNLPUCSI-HNNXBMFYSA-N 1 0 418.896 3.873 50 0 HHAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CCNC(C)=O)c(C)o2)c(OC)c1 ZINC000011999711 558307794 /nfs/dbraw/zinc/30/77/94/558307794.db2.gz RHXNKIKJESRTCL-KRWDZBQOSA-N 1 0 401.507 3.548 50 0 HHAARO COc1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCNC(C)=O)c(C)o2)c(OC)c1 ZINC000011999710 558307821 /nfs/dbraw/zinc/30/78/21/558307821.db2.gz RHXNKIKJESRTCL-QGZVFWFLSA-N 1 0 401.507 3.548 50 0 HHAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012024631 558309957 /nfs/dbraw/zinc/30/99/57/558309957.db2.gz GYFHNYOPLYJYQB-MRXNPFEDSA-N 1 0 406.933 3.830 50 0 HHAARO COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)ccc1O ZINC000012056128 558315938 /nfs/dbraw/zinc/31/59/38/558315938.db2.gz MPLJXJCXOQOECT-XLOVMUMPSA-N 1 0 418.537 3.988 50 0 HHAARO O=C1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccc(F)cc1 ZINC000012080151 558320799 /nfs/dbraw/zinc/32/07/99/558320799.db2.gz JOOAOGMRDXBMHM-UHFFFAOYSA-N 1 0 412.896 3.899 50 0 HHAARO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000012091541 558324148 /nfs/dbraw/zinc/32/41/48/558324148.db2.gz QADHOKXPHAWPEF-NRFANRHFSA-N 1 0 400.563 3.666 50 0 HHAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109981 558335202 /nfs/dbraw/zinc/33/52/02/558335202.db2.gz KYLZADTZPJMZPS-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO Cc1c(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020166095 558342815 /nfs/dbraw/zinc/34/28/15/558342815.db2.gz NSFZYIILAWDYSK-XMMPIXPASA-N 1 0 418.585 3.623 50 0 HHAARO COc1cc(CN2CC[N@H+](Cc3cccc4ccccc43)C[C@@H]2CCO)cc(OC)c1 ZINC000020210024 558347526 /nfs/dbraw/zinc/34/75/26/558347526.db2.gz ZBLTUBSRCCPCIJ-QHCPKHFHSA-N 1 0 420.553 3.926 50 0 HHAARO CN(Cc1ccco1)C(=O)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012206922 558353015 /nfs/dbraw/zinc/35/30/15/558353015.db2.gz GXRAHDNBCVVGJI-UHFFFAOYSA-N 1 0 405.498 3.990 50 0 HHAARO OCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386103 558358711 /nfs/dbraw/zinc/35/87/11/558358711.db2.gz VKYYEWBBFFOSJA-IBGZPJMESA-N 1 0 423.479 3.577 50 0 HHAARO CCOc1ccc(NC(=S)N[C@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022928341 558363848 /nfs/dbraw/zinc/36/38/48/558363848.db2.gz DOMCOOGTMDHXLE-XMSQKQJNSA-N 1 0 412.603 3.749 50 0 HHAARO COC(=O)c1cccc(C(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)c1 ZINC000012278948 558364736 /nfs/dbraw/zinc/36/47/36/558364736.db2.gz UFNUPPVPLMRJDO-PKTZIBPZSA-N 1 0 406.526 3.642 50 0 HHAARO CCn1ccnc1CN(C)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012317225 558380475 /nfs/dbraw/zinc/38/04/75/558380475.db2.gz FUVAZCXFLTZYNF-QFIPXVFZSA-N 1 0 414.594 3.539 50 0 HHAARO COC[C@H]1CCCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000012318398 558381413 /nfs/dbraw/zinc/38/14/13/558381413.db2.gz CNVBMOHOWJDSIS-FQEVSTJZSA-N 1 0 423.557 3.624 50 0 HHAARO O=c1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2sccn21 ZINC000020509575 558382099 /nfs/dbraw/zinc/38/20/99/558382099.db2.gz CXEWNDOIBKWAKM-UHFFFAOYSA-N 1 0 416.550 3.663 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccc(N(C)C)cc3)CC2)cc1 ZINC000012320746 558382584 /nfs/dbraw/zinc/38/25/84/558382584.db2.gz PLJMVUXJIBCMQB-UHFFFAOYSA-N 1 0 409.574 3.788 50 0 HHAARO Cc1ccc(C)c(C[N@H+]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c1 ZINC000012328304 558383481 /nfs/dbraw/zinc/38/34/81/558383481.db2.gz RDSCNJWSZAUWLI-UHFFFAOYSA-N 1 0 400.906 3.920 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@@H]2CCOC2)CC1 ZINC000012441833 558412351 /nfs/dbraw/zinc/41/23/51/558412351.db2.gz FVSRMBXBXSGPDY-XMMPIXPASA-N 1 0 407.558 3.667 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000020821170 558416726 /nfs/dbraw/zinc/41/67/26/558416726.db2.gz MLLKSGHPZNWZPF-LJQANCHMSA-N 1 0 413.537 3.923 50 0 HHAARO CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1C ZINC000012458194 558418279 /nfs/dbraw/zinc/41/82/79/558418279.db2.gz QFCKPRYZSNQQJG-HXUWFJFHSA-N 1 0 411.546 3.635 50 0 HHAARO CN(c1ccccc1)c1ccc(C[N@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000020906383 558421207 /nfs/dbraw/zinc/42/12/07/558421207.db2.gz UYVDKTJVAJMTOE-JOCHJYFZSA-N 1 0 403.530 3.956 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+][C@H]1CCCCNC1=O ZINC000012595170 558437451 /nfs/dbraw/zinc/43/74/51/558437451.db2.gz AWLCEOOMJRSTJL-FQEVSTJZSA-N 1 0 410.468 3.884 50 0 HHAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000012702330 558448241 /nfs/dbraw/zinc/44/82/41/558448241.db2.gz RQHOMEPZCOTIAQ-FQEVSTJZSA-N 1 0 415.509 3.656 50 0 HHAARO COC(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000012708588 558451157 /nfs/dbraw/zinc/45/11/57/558451157.db2.gz PJWCSHKOADDQGJ-FQEVSTJZSA-N 1 0 424.541 3.509 50 0 HHAARO CCOC[C@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012712448 558453309 /nfs/dbraw/zinc/45/33/09/558453309.db2.gz NCEGWFVOFNLAKW-GOSISDBHSA-N 1 0 403.885 3.819 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000012713396 558453823 /nfs/dbraw/zinc/45/38/23/558453823.db2.gz JEFXCBJXTXZNQS-QFIPXVFZSA-N 1 0 410.533 3.790 50 0 HHAARO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)CCc2ccsc2)CC1 ZINC000021901999 558454779 /nfs/dbraw/zinc/45/47/79/558454779.db2.gz HYIAUDPXURTRCR-UHFFFAOYSA-N 1 0 408.365 3.834 50 0 HHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)CCc2c(C)noc2C)CC1 ZINC000012762880 558461421 /nfs/dbraw/zinc/46/14/21/558461421.db2.gz CBZRUVJOLVJHCV-UHFFFAOYSA-N 1 0 413.562 3.646 50 0 HHAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000022242936 558471897 /nfs/dbraw/zinc/47/18/97/558471897.db2.gz BETXVIUZLZMLOJ-AREMUKBSSA-N 1 0 416.565 3.954 50 0 HHAARO COc1cc([C@@H](C)O)ccc1COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000012910065 558484416 /nfs/dbraw/zinc/48/44/16/558484416.db2.gz QOQJZCQGABFMGG-UZLBHIALSA-N 1 0 401.503 3.605 50 0 HHAARO C[C@@H](NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000022771793 558508708 /nfs/dbraw/zinc/50/87/08/558508708.db2.gz IYOZSEDUZYOMCQ-HXUWFJFHSA-N 1 0 403.526 3.864 50 0 HHAARO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022809921 558514010 /nfs/dbraw/zinc/51/40/10/558514010.db2.gz KVVMJHWTUJEWNN-QFBILLFUSA-N 1 0 421.010 3.697 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361235 558552628 /nfs/dbraw/zinc/55/26/28/558552628.db2.gz YGTIVCXUPNNMTL-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000023505555 558560126 /nfs/dbraw/zinc/56/01/26/558560126.db2.gz XOBGPSQLSVWLLV-QHCPKHFHSA-N 1 0 419.569 3.588 50 0 HHAARO O=C1c2ccccc2[C@@H]([NH2+]CCCN2CCOCC2)N1[C@H]1CCCc2ccccc21 ZINC000023504887 558560272 /nfs/dbraw/zinc/56/02/72/558560272.db2.gz ZCEQVZRJMTYIAP-ZEQRLZLVSA-N 1 0 405.542 3.531 50 0 HHAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000014017774 558613923 /nfs/dbraw/zinc/61/39/23/558613923.db2.gz AVAIHQIGIVJPEK-SFHVURJKSA-N 1 0 418.541 3.688 50 0 HHAARO Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000014017771 558613962 /nfs/dbraw/zinc/61/39/62/558613962.db2.gz AVAIHQIGIVJPEK-GOSISDBHSA-N 1 0 418.541 3.688 50 0 HHAARO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccccc1Cl ZINC000024864853 558617987 /nfs/dbraw/zinc/61/79/87/558617987.db2.gz VSFJUJPFQCNSBI-UHFFFAOYSA-N 1 0 412.843 3.905 50 0 HHAARO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000024991428 558626129 /nfs/dbraw/zinc/62/61/29/558626129.db2.gz XZTBDNAZWQVUGL-MRXNPFEDSA-N 1 0 419.934 3.653 50 0 HHAARO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014196730 558633600 /nfs/dbraw/zinc/63/36/00/558633600.db2.gz UQBAAAKAGLBXOU-ZIAGYGMSSA-N 1 0 411.571 3.892 50 0 HHAARO COc1cc(C(C)=O)ccc1OC[C@@H](O)CN(C)Cc1ccccc1Br ZINC000014238177 558642373 /nfs/dbraw/zinc/64/23/73/558642373.db2.gz VPWGDFSLSKGRSO-KRWDZBQOSA-N 1 0 422.319 3.532 50 0 HHAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(Cc2ccccc2)C(=O)N3C)c2ccccc21 ZINC000014531706 558656433 /nfs/dbraw/zinc/65/64/33/558656433.db2.gz DYKNHZMIGGEFLY-UHFFFAOYSA-N 1 0 416.525 3.607 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000026149648 558656519 /nfs/dbraw/zinc/65/65/19/558656519.db2.gz HLNQZNFTXUIONT-GOSISDBHSA-N 1 0 412.515 3.696 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1ccsc1 ZINC000026149639 558656653 /nfs/dbraw/zinc/65/66/53/558656653.db2.gz HLNQZNFTXUIONT-SFHVURJKSA-N 1 0 412.515 3.696 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1cc(F)cc(F)c1)CC2 ZINC000014535119 558657842 /nfs/dbraw/zinc/65/78/42/558657842.db2.gz GZCQYSWHRVNZCZ-HXUWFJFHSA-N 1 0 424.495 3.559 50 0 HHAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+]1CC=C(c3ccccc3)CC1)C2 ZINC000014536163 558658231 /nfs/dbraw/zinc/65/82/31/558658231.db2.gz DVMZLFMHBYPJKW-OAQYLSRUSA-N 1 0 404.558 3.786 50 0 HHAARO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3COc4ccccc4O3)c2)cc1 ZINC000026305064 558658818 /nfs/dbraw/zinc/65/88/18/558658818.db2.gz JOLIELSHBZMONY-NRFANRHFSA-N 1 0 404.466 3.877 50 0 HHAARO CSc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cc1 ZINC000014538179 558659013 /nfs/dbraw/zinc/65/90/13/558659013.db2.gz WWIIKWQQNVPFOD-UHFFFAOYSA-N 1 0 409.555 3.837 50 0 HHAARO CC(C)(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014540032 558659699 /nfs/dbraw/zinc/65/96/99/558659699.db2.gz QRCRNOZIYSYRPL-UHFFFAOYSA-N 1 0 420.557 3.927 50 0 HHAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000022936173 558666447 /nfs/dbraw/zinc/66/64/47/558666447.db2.gz JOQXHSWMIICKNG-UHFFFAOYSA-N 1 0 405.546 3.754 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014744468 558668461 /nfs/dbraw/zinc/66/84/61/558668461.db2.gz BZJWBYGDMBOPME-HXUWFJFHSA-N 1 0 420.557 3.722 50 0 HHAARO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 ZINC000014748969 558670187 /nfs/dbraw/zinc/67/01/87/558670187.db2.gz GZIZGCBMGKEJHQ-IBGZPJMESA-N 1 0 417.619 3.735 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cc4ccccc4s3)CC2)O1)[C@H]1CCCO1 ZINC000014885327 558677415 /nfs/dbraw/zinc/67/74/15/558677415.db2.gz BADJWAMMQULYHB-UYAOXDASSA-N 1 0 414.571 3.710 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)[NH+]2CCCCC2)cc1 ZINC000027668813 558680086 /nfs/dbraw/zinc/68/00/86/558680086.db2.gz XVKPIZLUVCVQIS-DEOSSOPVSA-N 1 0 421.541 3.561 50 0 HHAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000014953532 558681745 /nfs/dbraw/zinc/68/17/45/558681745.db2.gz YRHMMHDZALZIJI-QPGLYAHGSA-N 1 0 424.541 3.868 50 0 HHAARO Cc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2N2CCOCC2)cc1 ZINC000014957658 558682982 /nfs/dbraw/zinc/68/29/82/558682982.db2.gz IMOXVMLTASIDCI-UKILVPOCSA-N 1 0 421.585 3.937 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 ZINC000014972322 558687813 /nfs/dbraw/zinc/68/78/13/558687813.db2.gz DHCIPRKTRHLGMD-HXUWFJFHSA-N 1 0 408.542 3.925 50 0 HHAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1ccc2c(c1)OCO2 ZINC000014986569 558692909 /nfs/dbraw/zinc/69/29/09/558692909.db2.gz AJUJDTGEWUCGCW-UHFFFAOYSA-N 1 0 418.493 3.839 50 0 HHAARO CCCOc1cccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287962 558694853 /nfs/dbraw/zinc/69/48/53/558694853.db2.gz PJBYHSNEMNHXND-JOCHJYFZSA-N 1 0 415.965 3.847 50 0 HHAARO COc1ccc([C@H](CC(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cc1 ZINC000015065652 558708592 /nfs/dbraw/zinc/70/85/92/558708592.db2.gz JEXNCZWKAMATON-XMMPIXPASA-N 1 0 401.510 3.961 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029090684 558709649 /nfs/dbraw/zinc/70/96/49/558709649.db2.gz VDCVYYQRCFORAI-UHFFFAOYSA-N 1 0 407.345 3.903 50 0 HHAARO Cc1nn(C)c2nc(C)c(C(=O)NCc3ccc(C[NH+]4CCC(C)CC4)cc3)cc12 ZINC000029080900 558709782 /nfs/dbraw/zinc/70/97/82/558709782.db2.gz ZQXWGWGKDBXOCT-UHFFFAOYSA-N 1 0 405.546 3.747 50 0 HHAARO COc1ccccc1NC(=O)c1c(NC(=O)C[NH2+]C(C)C)sc2c1CCCC2 ZINC000004554395 558721956 /nfs/dbraw/zinc/72/19/56/558721956.db2.gz JOGHHEIQQZTUAZ-UHFFFAOYSA-N 1 0 401.532 3.824 50 0 HHAARO O=C(Cc1csc(-n2cccc2)n1)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000030819526 558738882 /nfs/dbraw/zinc/73/88/82/558738882.db2.gz CSSUZPATKLPIGQ-UHFFFAOYSA-N 1 0 408.571 3.895 50 0 HHAARO COc1cc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000015477251 558740821 /nfs/dbraw/zinc/74/08/21/558740821.db2.gz DXBYMFMFECDJJG-BBVFFXRHSA-N 1 0 414.502 3.662 50 0 HHAARO COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000015647212 558747357 /nfs/dbraw/zinc/74/73/57/558747357.db2.gz XQIQSRQOMYGLCK-OAQYLSRUSA-N 1 0 402.922 3.989 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)[nH+]1 ZINC000015825125 558754700 /nfs/dbraw/zinc/75/47/00/558754700.db2.gz JYOUCVMWEUCQJK-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4cc(C)nc(C(C)C)n4)CC3)cc2)n1 ZINC000016103222 558772003 /nfs/dbraw/zinc/77/20/03/558772003.db2.gz ACOOLPOJCIIEFL-UHFFFAOYSA-N 1 0 418.545 3.673 50 0 HHAARO Nn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC[NH+]1CCCCC1 ZINC000036646120 558800705 /nfs/dbraw/zinc/80/07/05/558800705.db2.gz OJXBRDBNZMMUMH-UHFFFAOYSA-N 1 0 404.536 3.556 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000016750974 558804713 /nfs/dbraw/zinc/80/47/13/558804713.db2.gz PFZUGIXEKOBHQW-OAQYLSRUSA-N 1 0 424.472 3.828 50 0 HHAARO COc1ccc(NC(=S)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1OC ZINC000017090404 558818993 /nfs/dbraw/zinc/81/89/93/558818993.db2.gz LGLXVRTWUJXCDP-UHFFFAOYSA-N 1 0 415.603 3.987 50 0 HHAARO Cc1ccccc1-c1ncc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cn1 ZINC000039364973 558820427 /nfs/dbraw/zinc/82/04/27/558820427.db2.gz MEMKUVHSMBDFLM-HSZRJFAPSA-N 1 0 402.542 3.521 50 0 HHAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019222362 558852176 /nfs/dbraw/zinc/85/21/76/558852176.db2.gz MYTKPIAPOTZWIR-QFIPXVFZSA-N 1 0 410.949 3.799 50 0 HHAARO O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000072328678 558864198 /nfs/dbraw/zinc/86/41/98/558864198.db2.gz NOCSCXPVKQTNRG-UHFFFAOYSA-N 1 0 417.351 3.930 50 0 HHAARO CSc1ncccc1C(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055196784 558875629 /nfs/dbraw/zinc/87/56/29/558875629.db2.gz TVRLWCRMXKGPCK-LJQANCHMSA-N 1 0 410.587 3.539 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cncc(Br)c1 ZINC000010653112 558875711 /nfs/dbraw/zinc/87/57/11/558875711.db2.gz AULLIRBMCIXWQB-UHFFFAOYSA-N 1 0 416.323 3.788 50 0 HHAARO c1cnn(-c2cccc(C[N@@H+]3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)c2)c1 ZINC000055307914 558878814 /nfs/dbraw/zinc/87/88/14/558878814.db2.gz CWZXMHRGETYTKU-VWLOTQADSA-N 1 0 401.558 3.659 50 0 HHAARO CC[C@@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 ZINC000055343257 558879638 /nfs/dbraw/zinc/87/96/38/558879638.db2.gz BHTFDWAMVUJYQX-HXUWFJFHSA-N 1 0 407.514 3.666 50 0 HHAARO O=C(N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccccc2)CC1 ZINC000055358164 558879845 /nfs/dbraw/zinc/87/98/45/558879845.db2.gz QLTQGKYFGPZRME-HSZRJFAPSA-N 1 0 407.533 3.671 50 0 HHAARO Cc1c(C(=O)Nc2cccc(Cl)c2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048192 558884181 /nfs/dbraw/zinc/88/41/81/558884181.db2.gz IXKFJZOCMOWVRH-UHFFFAOYSA-N 1 0 401.923 3.657 50 0 HHAARO Cc1c(C(=O)N[C@H](C)CCc2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048255 558885190 /nfs/dbraw/zinc/88/51/90/558885190.db2.gz WHDCWGRRHZCPJG-MRXNPFEDSA-N 1 0 423.586 3.503 50 0 HHAARO CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCCCCC1 ZINC000058067071 558897787 /nfs/dbraw/zinc/89/77/87/558897787.db2.gz MHTKOMUQIIYQDY-HXUWFJFHSA-N 1 0 411.554 3.697 50 0 HHAARO Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000058100781 558898820 /nfs/dbraw/zinc/89/88/20/558898820.db2.gz WRYRKKNRBOSERM-UHFFFAOYSA-N 1 0 415.541 3.524 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCO[C@H]3CCCC[C@H]3C)cc2C)CC1 ZINC000058109352 558899281 /nfs/dbraw/zinc/89/92/81/558899281.db2.gz NJFJDDUSOHOYLO-GCJKJVERSA-N 1 0 402.583 3.854 50 0 HHAARO CCC(CC)[C@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[NH+]1CCCC1 ZINC000058129939 558900358 /nfs/dbraw/zinc/90/03/58/558900358.db2.gz SHAXKJCNINEQES-SFHVURJKSA-N 1 0 415.987 3.766 50 0 HHAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058138004 558901313 /nfs/dbraw/zinc/90/13/13/558901313.db2.gz WEWNGWVUORVGAA-NRFANRHFSA-N 1 0 422.504 3.979 50 0 HHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000058218694 558912997 /nfs/dbraw/zinc/91/29/97/558912997.db2.gz HEBBBIZLTQNMDD-UHFFFAOYSA-N 1 0 414.571 3.642 50 0 HHAARO CCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058282168 558916470 /nfs/dbraw/zinc/91/64/70/558916470.db2.gz SZRAEKPEZZEFRO-QHCPKHFHSA-N 1 0 404.558 3.880 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000004712769 558918001 /nfs/dbraw/zinc/91/80/01/558918001.db2.gz SLSNKLFXMZPEMH-SXZORUHJSA-N 1 0 407.539 3.986 50 0 HHAARO O[C@@H](COc1ccc2oc3c(c2c1)CCCC3)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019606698 558946609 /nfs/dbraw/zinc/94/66/09/558946609.db2.gz WNGKKNSUHAHMOK-HXUWFJFHSA-N 1 0 406.526 3.874 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799783 558965509 /nfs/dbraw/zinc/96/55/09/558965509.db2.gz RAAUHGWICSHPJF-UHFFFAOYSA-N 1 0 417.916 3.530 50 0 HHAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[NH+](CCCO)CC1 ZINC000072457775 558983136 /nfs/dbraw/zinc/98/31/36/558983136.db2.gz WEBZRUNTHOSKKA-UHFFFAOYSA-N 1 0 407.514 3.942 50 0 HHAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264387 558984385 /nfs/dbraw/zinc/98/43/85/558984385.db2.gz BKOBBYMKNYHCKH-SIKLNZKXSA-N 1 0 414.594 3.588 50 0 HHAARO COc1cccc(CC2(CO)CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000067713238 558991874 /nfs/dbraw/zinc/99/18/74/558991874.db2.gz GHSHDUUMRBBCFO-UHFFFAOYSA-N 1 0 408.586 3.977 50 0 HHAARO Cc1c2cc(CNC(=O)[C@H](C)C[NH+]3CCOCC3)ccc2[nH]c1-c1ccccc1F ZINC000077408207 559004433 /nfs/dbraw/zinc/00/44/33/559004433.db2.gz YFZIEQDVXHZUHS-MRXNPFEDSA-N 1 0 409.505 3.867 50 0 HHAARO CCC1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000082121758 559039593 /nfs/dbraw/zinc/03/95/93/559039593.db2.gz MYGOQSNTGYJCQJ-JOCHJYFZSA-N 1 0 412.622 3.797 50 0 HHAARO Cc1cc(C)cc(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000082230319 559042633 /nfs/dbraw/zinc/04/26/33/559042633.db2.gz PHCSNGXCOQUUCD-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO CC(C)c1ccccc1OCCOC[C@@H](O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023224723 559062796 /nfs/dbraw/zinc/06/27/96/559062796.db2.gz BJJUCJKMXSKHPE-QFIPXVFZSA-N 1 0 416.537 3.528 50 0 HHAARO CCCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091624854 559072495 /nfs/dbraw/zinc/07/24/95/559072495.db2.gz SZQJVHNYXNLASC-NRFANRHFSA-N 1 0 400.563 3.859 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000011652658 559119742 /nfs/dbraw/zinc/11/97/42/559119742.db2.gz MFWBBYWNISGMDC-QFIPXVFZSA-N 1 0 418.541 3.998 50 0 HHAARO Cc1nn2c(nc(N(C)C3CC[NH+](C[C@@H]4CCOC4)CC3)c3ccccc32)c1Cl ZINC000072301769 559120858 /nfs/dbraw/zinc/12/08/58/559120858.db2.gz HFXASQXXEPOBGN-INIZCTEOSA-N 1 0 413.953 3.781 50 0 HHAARO Cc1nc2ncnn2c(N2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c1Cc1ccccc1 ZINC000023322587 559140679 /nfs/dbraw/zinc/14/06/79/559140679.db2.gz POPCRKOYKMNAFT-GOSISDBHSA-N 1 0 404.562 3.724 50 0 HHAARO Cc1ccc(N2C(=O)C[C@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000102407856 559150279 /nfs/dbraw/zinc/15/02/79/559150279.db2.gz HDFAPBXNCKXMED-NRFANRHFSA-N 1 0 411.933 3.535 50 0 HHAARO C[N@H+](Cc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O)C1CCCCC1 ZINC000023352556 559173162 /nfs/dbraw/zinc/17/31/62/559173162.db2.gz VHWRRPSZQCQVRE-UHFFFAOYSA-N 1 0 404.514 3.800 50 0 HHAARO CCOC(=O)C1CC[NH+]([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022909 559187782 /nfs/dbraw/zinc/18/77/82/559187782.db2.gz RBJRNMZLUXIHAO-JOCHJYFZSA-N 1 0 412.530 3.555 50 0 HHAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)Nc1cccc(C(F)(F)F)c1 ZINC000011697826 559189787 /nfs/dbraw/zinc/18/97/87/559189787.db2.gz AXQKLRIUUZAYQK-UHFFFAOYSA-N 1 0 417.395 3.868 50 0 HHAARO CCCC[N@H+](CC)CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 ZINC000005042715 559236128 /nfs/dbraw/zinc/23/61/28/559236128.db2.gz ULHIHIIDLKVYRC-UHFFFAOYSA-N 1 0 420.575 3.804 50 0 HHAARO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000006358374 560559036 /nfs/dbraw/zinc/55/90/36/560559036.db2.gz ALCGUZLBKILMTQ-NYVOZVTQSA-N 1 0 411.546 3.747 50 0 HHAARO COc1cc2[nH]c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c(OC)c1OC ZINC000005350635 560568840 /nfs/dbraw/zinc/56/88/40/560568840.db2.gz GYUAJAQJPSTRFN-UHFFFAOYSA-N 1 0 423.513 3.588 50 0 HHAARO COc1ccc(CCNc2ncnc3c2c(C)c(C)n3CCC[NH+](C)C)cc1OC ZINC000005348032 560570883 /nfs/dbraw/zinc/57/08/83/560570883.db2.gz BNINBJXSKONARD-UHFFFAOYSA-N 1 0 411.550 3.672 50 0 HHAARO O=C1C[C@H]([C@@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000101130476 560788300 /nfs/dbraw/zinc/78/83/00/560788300.db2.gz PRWLXEWVCXUWJE-FCHUYYIVSA-N 1 0 423.557 3.573 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000047417228 560886865 /nfs/dbraw/zinc/88/68/65/560886865.db2.gz BZZQZBSAQVAKDN-HZPDHXFCSA-N 1 0 402.564 3.768 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000106395550 560891189 /nfs/dbraw/zinc/89/11/89/560891189.db2.gz NBYGLADCNQZALG-RBUKOAKNSA-N 1 0 418.557 3.840 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1I ZINC000048313442 568439194 /nfs/dbraw/zinc/43/91/94/568439194.db2.gz UQQDSYIILFBXDH-LBPRGKRZSA-N 1 0 420.722 3.939 50 0 HHAARO C[C@H]1CN(c2ccccc2NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C[C@H](C)O1 ZINC000048280166 568435841 /nfs/dbraw/zinc/43/58/41/568435841.db2.gz MBWYUDXKOOGWTJ-SFTDATJTSA-N 1 0 424.589 3.938 50 0 HHAARO CCOC(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000048345174 568440919 /nfs/dbraw/zinc/44/09/19/568440919.db2.gz CQBFORJBGLEFNU-RTBURBONSA-N 1 0 415.578 3.649 50 0 HHAARO Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000048355067 568441408 /nfs/dbraw/zinc/44/14/08/568441408.db2.gz XAIHYNMIVFMAHX-GASCZTMLSA-N 1 0 412.513 3.563 50 0 HHAARO COc1ccc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000049771959 568453465 /nfs/dbraw/zinc/45/34/65/568453465.db2.gz SECUXGOCAXAHGI-RKCQOLGWSA-N 1 0 407.539 3.506 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1nc2ccc(Cl)cc2s1 ZINC000012286782 568458694 /nfs/dbraw/zinc/45/86/94/568458694.db2.gz DKMPTKLMDVLUGL-UHFFFAOYSA-N 1 0 405.955 3.980 50 0 HHAARO COc1cc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000000785849 568476963 /nfs/dbraw/zinc/47/69/63/568476963.db2.gz XXKBLQFGEMXRRD-UHFFFAOYSA-N 1 0 412.530 3.583 50 0 HHAARO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c(OC)c1OC ZINC000000819240 568496866 /nfs/dbraw/zinc/49/68/66/568496866.db2.gz DWEMKUJHABAJFZ-UHFFFAOYSA-N 1 0 412.530 3.549 50 0 HHAARO Cc1ccc(C(=O)NCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000031078210 568502556 /nfs/dbraw/zinc/50/25/56/568502556.db2.gz VNIRMVBVHRTMQV-UHFFFAOYSA-N 1 0 415.537 3.770 50 0 HHAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000020213972 568594428 /nfs/dbraw/zinc/59/44/28/568594428.db2.gz RPLZRBXZLWBDNL-IBGZPJMESA-N 1 0 405.926 3.776 50 0 HHAARO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CCc1nccn1C(F)F ZINC000095450996 568614524 /nfs/dbraw/zinc/61/45/24/568614524.db2.gz GUMZWAVDCANIAZ-CYBMUJFWSA-N 1 0 409.481 3.900 50 0 HHAARO CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000020760337 568642163 /nfs/dbraw/zinc/64/21/63/568642163.db2.gz BEWNKUHGJPXZHW-UHFFFAOYSA-N 1 0 423.557 3.727 50 0 HHAARO COc1cccc(OC)c1CN1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998050 568657390 /nfs/dbraw/zinc/65/73/90/568657390.db2.gz XNUVMTDXBRPTGO-OAQYLSRUSA-N 1 0 413.537 3.630 50 0 HHAARO O=C(c1ccccc1)N1c2ccccc2C[C@@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000021018734 568658041 /nfs/dbraw/zinc/65/80/41/568658041.db2.gz RWVTWMGNYVSTBF-XMMPIXPASA-N 1 0 417.553 3.735 50 0 HHAARO COc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1OCc1c(C)noc1C ZINC000095948383 568665297 /nfs/dbraw/zinc/66/52/97/568665297.db2.gz QKRFITNUAUMQEG-UHFFFAOYSA-N 1 0 413.518 3.579 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN1c1nccs1 ZINC000095957321 568669579 /nfs/dbraw/zinc/66/95/79/568669579.db2.gz XHVYODZHDHAYGA-GOSISDBHSA-N 1 0 404.967 3.546 50 0 HHAARO CC[NH+](CC)CCCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153271 568672882 /nfs/dbraw/zinc/67/28/82/568672882.db2.gz SDYSYRGAGXXVGK-UHFFFAOYSA-N 1 0 406.552 3.924 50 0 HHAARO Oc1ccc([C@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170145 568676174 /nfs/dbraw/zinc/67/61/74/568676174.db2.gz KUHATIPKCXBPFU-IZZNHLLZSA-N 1 0 403.522 3.939 50 0 HHAARO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000095993807 568678312 /nfs/dbraw/zinc/67/83/12/568678312.db2.gz SNTXNOXRXVFQHO-QGZVFWFLSA-N 1 0 412.361 3.725 50 0 HHAARO COc1ccccc1N1CCN(C[C@@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000012420111 568719428 /nfs/dbraw/zinc/71/94/28/568719428.db2.gz IHJMRRRMGQANKN-JOCHJYFZSA-N 1 0 418.537 3.924 50 0 HHAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000241126167 568730794 /nfs/dbraw/zinc/73/07/94/568730794.db2.gz JKAMFAAXOZSANA-GJZGRUSLSA-N 1 0 401.473 3.665 50 0 HHAARO COc1cccc(NC(=O)C2=C(C)C(=O)OC23CC[NH+](Cc2ccccc2)CC3)c1 ZINC000021868354 568756103 /nfs/dbraw/zinc/75/61/03/568756103.db2.gz ZVELPXHJIZNAHK-UHFFFAOYSA-N 1 0 406.482 3.542 50 0 biogenic HHAARO CN(CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)Cc1ccco1 ZINC000057315374 568826711 /nfs/dbraw/zinc/82/67/11/568826711.db2.gz PPBVULAMJRJJGR-UHFFFAOYSA-N 1 0 418.541 3.672 50 0 HHAARO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000057335788 568827098 /nfs/dbraw/zinc/82/70/98/568827098.db2.gz AAFROORYUVWYKL-GFCCVEGCSA-N 1 0 423.307 3.764 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075701 568831399 /nfs/dbraw/zinc/83/13/99/568831399.db2.gz AOXTZJPERMEUKV-SFTDATJTSA-N 1 0 413.587 3.897 50 0 HHAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000003253325 568848914 /nfs/dbraw/zinc/84/89/14/568848914.db2.gz OYPZQYOPVLISBX-LBPRGKRZSA-N 1 0 410.725 3.662 50 0 HHAARO CCOC(=O)c1ccc(NC(=S)N(CC[NH+](C)C)[C@@H](C)c2ccncc2)cc1 ZINC000003049959 568849987 /nfs/dbraw/zinc/84/99/87/568849987.db2.gz DWLSOWMGPHYQCF-INIZCTEOSA-N 1 0 400.548 3.580 50 0 HHAARO CC[C@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000230151605 568852736 /nfs/dbraw/zinc/85/27/36/568852736.db2.gz DGVXAVIHODYYOB-IRXDYDNUSA-N 1 0 417.579 3.683 50 0 HHAARO O[C@@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)COc1ccc(Br)cc1 ZINC000003324088 568854553 /nfs/dbraw/zinc/85/45/53/568854553.db2.gz KDAVBDAYYYRART-HNNXBMFYSA-N 1 0 404.226 3.997 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000030361130 568862014 /nfs/dbraw/zinc/86/20/14/568862014.db2.gz XWBJEUCMHQNFNT-UHFFFAOYSA-N 1 0 421.994 3.529 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3F)cc2C)CC1 ZINC000057863621 568864237 /nfs/dbraw/zinc/86/42/37/568864237.db2.gz OVWHSGFNAVYJCC-UHFFFAOYSA-N 1 0 414.525 3.819 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccc(O)cc3)cc2C)CC1 ZINC000057866331 568864503 /nfs/dbraw/zinc/86/45/03/568864503.db2.gz KTOJOEWLGSWFLM-LJQANCHMSA-N 1 0 410.562 3.985 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000012591211 568868203 /nfs/dbraw/zinc/86/82/03/568868203.db2.gz WNIBEHSJLDMMIN-UHFFFAOYSA-N 1 0 411.933 3.993 50 0 HHAARO COc1ccc([C@H](CNC(=O)CSc2nc(C)cc(C)n2)[NH+]2CCCCC2)cc1 ZINC000012598776 568869321 /nfs/dbraw/zinc/86/93/21/568869321.db2.gz AIXIHMVUTGGBFZ-FQEVSTJZSA-N 1 0 414.575 3.538 50 0 HHAARO CCOCCC[NH2+]Cc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000299756402 568872916 /nfs/dbraw/zinc/87/29/16/568872916.db2.gz HVYUKTWFCUBFFF-UHFFFAOYSA-N 1 0 424.541 3.892 50 0 HHAARO C[C@H](NC(=O)c1ccc(N2CCC([NH+]3CCC(O)CC3)CC2)cc1)c1ccccc1 ZINC000299766659 568873770 /nfs/dbraw/zinc/87/37/70/568873770.db2.gz DXJPEUVPDXABEA-IBGZPJMESA-N 1 0 407.558 3.603 50 0 HHAARO COc1cc2cc(C[NH2+]CC(C)(C)OC)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000299781279 568874922 /nfs/dbraw/zinc/87/49/22/568874922.db2.gz TZYLZDPAQFCCMX-UHFFFAOYSA-N 1 0 424.541 3.890 50 0 HHAARO C[C@@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2sccc2C1 ZINC000031124267 568914804 /nfs/dbraw/zinc/91/48/04/568914804.db2.gz WGJVXYKESNPKOL-INIZCTEOSA-N 1 0 414.575 3.711 50 0 HHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000012700343 568917395 /nfs/dbraw/zinc/91/73/95/568917395.db2.gz LIFATGKQRGBHTA-UWJYYQICSA-N 1 0 407.514 3.986 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc(Br)ccc2O)[NH+]2CCCC2)cc1 ZINC000012777696 568955852 /nfs/dbraw/zinc/95/58/52/568955852.db2.gz IDBIIICEKOSNTP-GOSISDBHSA-N 1 0 419.319 3.730 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)c1cc(Cl)c(OC)c(OC)c1)[NH+]1CCCC1 ZINC000012798710 568977502 /nfs/dbraw/zinc/97/75/02/568977502.db2.gz OPPIGWJUYNQMIM-SFHVURJKSA-N 1 0 418.921 3.933 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)c1cc(Cl)c(OC)c(OC)c1)[NH+]1CCCC1 ZINC000012798707 568977525 /nfs/dbraw/zinc/97/75/25/568977525.db2.gz OPPIGWJUYNQMIM-GOSISDBHSA-N 1 0 418.921 3.933 50 0 HHAARO COc1ccc(OC)c(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c1 ZINC000015727037 568978362 /nfs/dbraw/zinc/97/83/62/568978362.db2.gz KCSLVPSUTZSHGL-UHFFFAOYSA-N 1 0 424.476 3.748 50 0 HHAARO C[C@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008156977 568978420 /nfs/dbraw/zinc/97/84/20/568978420.db2.gz CVPSAFVTHWRSBR-KRWDZBQOSA-N 1 0 407.580 3.501 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccccc1F ZINC000008374046 568995650 /nfs/dbraw/zinc/99/56/50/568995650.db2.gz FOEWVLSKGGPAFU-SFHVURJKSA-N 1 0 400.837 3.692 50 0 HHAARO O=C(NCCC[NH+]1CCCCCC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773960 568998864 /nfs/dbraw/zinc/99/88/64/568998864.db2.gz KHNBUAROGIYANQ-HSZRJFAPSA-N 1 0 405.542 3.640 50 0 HHAARO COc1ccccc1C(=O)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085878388 569009726 /nfs/dbraw/zinc/00/97/26/569009726.db2.gz BSBXGHXDLZFXDS-SIKLNZKXSA-N 1 0 421.541 3.942 50 0 biogenic HHAARO Cc1cccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035347822 569033410 /nfs/dbraw/zinc/03/34/10/569033410.db2.gz JFQGNNCALWRPAA-XWEVFREBSA-N 1 0 405.542 3.571 50 0 HHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1)C(c1ccccc1)=N2 ZINC000035372686 569033732 /nfs/dbraw/zinc/03/37/32/569033732.db2.gz VFANGPRQYIWQNF-UHFFFAOYSA-N 1 0 410.518 3.821 50 0 HHAARO Cc1ccccc1NC(=O)CSC1=NC2(CC[NH+](C)CC2)N=C1c1ccccc1 ZINC000035372492 569033884 /nfs/dbraw/zinc/03/38/84/569033884.db2.gz JVHCVIYKLPAWNY-UHFFFAOYSA-N 1 0 406.555 3.990 50 0 HHAARO COc1ccc(-c2noc(-c3ccc(N4CCC([NH+]5CCCCC5)CC4)nn3)n2)cc1 ZINC000035378722 569034353 /nfs/dbraw/zinc/03/43/53/569034353.db2.gz JRYJQFFWRASIKE-UHFFFAOYSA-N 1 0 420.517 3.657 50 0 HHAARO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454056 569037851 /nfs/dbraw/zinc/03/78/51/569037851.db2.gz NCFMHBRJIOZYPZ-LJQANCHMSA-N 1 0 424.589 3.648 50 0 HHAARO O=C1CCCN1CCC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000064139228 569044858 /nfs/dbraw/zinc/04/48/58/569044858.db2.gz RVGLKUCAUFJMLC-UHFFFAOYSA-N 1 0 413.512 3.684 50 0 HHAARO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013003818 569049380 /nfs/dbraw/zinc/04/93/80/569049380.db2.gz VBQUUEMYGITEBQ-MRXNPFEDSA-N 1 0 417.347 3.997 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)COc1cc(C)ccc1Cl)[NH+]1CCCC1 ZINC000013010613 569050083 /nfs/dbraw/zinc/05/00/83/569050083.db2.gz ZILSQBUCZIHTJN-LJQANCHMSA-N 1 0 402.922 3.989 50 0 HHAARO COc1c[nH]c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)cc1=O ZINC000426414409 569072846 /nfs/dbraw/zinc/07/28/46/569072846.db2.gz OIYMVVWZWKKFQO-VWLOTQADSA-N 1 0 409.574 3.995 50 0 HHAARO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000035991520 569074657 /nfs/dbraw/zinc/07/46/57/569074657.db2.gz UBULVZPJXXSZTP-FQEVSTJZSA-N 1 0 419.953 3.975 50 0 HHAARO Cc1c(C)c(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659929 569084079 /nfs/dbraw/zinc/08/40/79/569084079.db2.gz HZLDCPYMIJNLIH-MRXNPFEDSA-N 1 0 414.546 3.911 50 0 HHAARO Cc1cc(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(Cl)cc12 ZINC000006660097 569084124 /nfs/dbraw/zinc/08/41/24/569084124.db2.gz YCNSXDYVKLSLCV-UHFFFAOYSA-N 1 0 406.910 3.559 50 0 HHAARO CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000006660063 569084187 /nfs/dbraw/zinc/08/41/87/569084187.db2.gz SRDTYJGIGGEJPS-UHFFFAOYSA-N 1 0 414.546 3.858 50 0 HHAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2(O)C(F)(F)F ZINC000036056961 569084566 /nfs/dbraw/zinc/08/45/66/569084566.db2.gz OSUFIZIKVFXQCL-CEFVDNRUSA-N 1 0 406.499 3.667 50 0 HHAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccco2)c1OC ZINC000036103639 569092357 /nfs/dbraw/zinc/09/23/57/569092357.db2.gz NWDIHKQJEHSWQA-OAQYLSRUSA-N 1 0 411.498 3.877 50 0 HHAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145864 569098379 /nfs/dbraw/zinc/09/83/79/569098379.db2.gz DQFGLAYYLOBEOW-YADHBBJMSA-N 1 0 414.521 3.997 50 0 HHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145860 569098428 /nfs/dbraw/zinc/09/84/28/569098428.db2.gz NTXHCBQLLQWMFO-PKTZIBPZSA-N 1 0 414.521 3.854 50 0 HHAARO COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146560 569098799 /nfs/dbraw/zinc/09/87/99/569098799.db2.gz SWEBFGJOZJHYJF-UXHICEINSA-N 1 0 423.340 3.996 50 0 HHAARO COc1cc(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)cc(OC)c1OC ZINC000006788116 569122287 /nfs/dbraw/zinc/12/22/87/569122287.db2.gz MRYUIWYSJBZICG-UHFFFAOYSA-N 1 0 404.551 3.560 50 0 HHAARO CC[N@H+](CCCNC(=O)CN1c2ccccc2SCCC1=O)Cc1ccccc1 ZINC000006805652 569131592 /nfs/dbraw/zinc/13/15/92/569131592.db2.gz SOIZUPCWIICNID-UHFFFAOYSA-N 1 0 411.571 3.544 50 0 HHAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340312 569141663 /nfs/dbraw/zinc/14/16/63/569141663.db2.gz HWPKHCFCYBSSHB-QHCPKHFHSA-N 1 0 410.606 3.974 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2C)CC1 ZINC000036344876 569142778 /nfs/dbraw/zinc/14/27/78/569142778.db2.gz HDHAEEHHVDLKSO-RUZDIDTESA-N 1 0 418.585 3.927 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000006851068 569154537 /nfs/dbraw/zinc/15/45/37/569154537.db2.gz XGEGQKACCTVBIG-QHCPKHFHSA-N 1 0 417.509 3.628 50 0 HHAARO Cc1ccc(-c2cnc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)nc2)cc1 ZINC000065023423 569154957 /nfs/dbraw/zinc/15/49/57/569154957.db2.gz KNFNYCRCCMMJIT-QFIPXVFZSA-N 1 0 421.589 3.661 50 0 HHAARO CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)c1 ZINC000036395475 569168739 /nfs/dbraw/zinc/16/87/39/569168739.db2.gz WTCNBKIWLLXTBS-UHFFFAOYSA-N 1 0 415.559 3.612 50 0 HHAARO Cc1ccccc1Oc1nccnc1SCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000065111223 569178836 /nfs/dbraw/zinc/17/88/36/569178836.db2.gz WGQGNQYBEYPAHJ-INIZCTEOSA-N 1 0 400.548 3.518 50 0 HHAARO CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N(C)C1CC[NH+](C)CC1 ZINC000036615944 569207170 /nfs/dbraw/zinc/20/71/70/569207170.db2.gz YCXVGVFUYOYZHQ-UHFFFAOYSA-N 1 0 405.546 3.901 50 0 HHAARO O=C(NCc1ccc(F)cc1Cl)c1ccc2c(c1)ncn2CC[NH+]1CCCC1 ZINC000065255123 569207662 /nfs/dbraw/zinc/20/76/62/569207662.db2.gz GDPSGYSFMTUHAK-UHFFFAOYSA-N 1 0 400.885 3.855 50 0 HHAARO CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC000170601576 569243175 /nfs/dbraw/zinc/24/31/75/569243175.db2.gz TZHHDYLYCHYHPN-NRFANRHFSA-N 1 0 417.594 3.720 50 0 HHAARO C[NH+](C)CCc1ccc(CNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000170604610 569243949 /nfs/dbraw/zinc/24/39/49/569243949.db2.gz LHXHEJGKXFLLBG-UHFFFAOYSA-N 1 0 412.921 3.743 50 0 HHAARO COc1ccc([C@@H]([NH2+]CCn2ccnc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606800 569244743 /nfs/dbraw/zinc/24/47/43/569244743.db2.gz LCQZLOFGCQDHQS-WOJBJXKFSA-N 1 0 400.523 3.622 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000170623112 569249653 /nfs/dbraw/zinc/24/96/53/569249653.db2.gz XZGYRANEBLFPOQ-HPQBIULASA-N 1 0 412.599 3.973 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000010217506 569253585 /nfs/dbraw/zinc/25/35/85/569253585.db2.gz ZTTLMQKZTOMMPV-UHFFFAOYSA-N 1 0 411.933 3.861 50 0 HHAARO COc1ccc(SCC(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)cc1 ZINC000010219151 569253827 /nfs/dbraw/zinc/25/38/27/569253827.db2.gz RSBXFPKPGVNFHX-UHFFFAOYSA-N 1 0 401.557 3.992 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1ccnn1C)c1nc2c(s1)c(Cl)ccc2C ZINC000013655171 569256747 /nfs/dbraw/zinc/25/67/47/569256747.db2.gz YJSCSSRFNIEDLL-UHFFFAOYSA-N 1 0 405.955 3.980 50 0 HHAARO COc1ccc(N2C[C@H](C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)CC2=O)cc1 ZINC000089644341 569261557 /nfs/dbraw/zinc/26/15/57/569261557.db2.gz QYKWKVQGUPUHQV-LJQANCHMSA-N 1 0 407.514 3.591 50 0 HHAARO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000089761623 569263522 /nfs/dbraw/zinc/26/35/22/569263522.db2.gz PUNHDKQWQBPEAM-YJBOKZPZSA-N 1 0 403.573 3.723 50 0 HHAARO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N(C)Cc1ccccc1OC ZINC000089942106 569269356 /nfs/dbraw/zinc/26/93/56/569269356.db2.gz RLJCBWXLEYHIRN-NRFANRHFSA-N 1 0 405.926 3.539 50 0 HHAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000017012279 569271625 /nfs/dbraw/zinc/27/16/25/569271625.db2.gz JNGGMMAMJUITQE-UHFFFAOYSA-N 1 0 407.562 3.645 50 0 HHAARO COc1cc(-c2noc(C[N@H+](C(C)C)[C@@H]3CCCC[C@H]3O)n2)ccc1OC(F)F ZINC000252477334 569288360 /nfs/dbraw/zinc/28/83/60/569288360.db2.gz MFWWLKNNZOSBRR-HUUCEWRRSA-N 1 0 411.449 3.861 50 0 HHAARO CC(=O)CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000170654885 569295370 /nfs/dbraw/zinc/29/53/70/569295370.db2.gz WJBOWKAXLZCAJA-CVDCTZTESA-N 1 0 408.542 3.756 50 0 HHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)CC1 ZINC000581819763 569320804 /nfs/dbraw/zinc/32/08/04/569320804.db2.gz JPIFHPREBNXGFK-QFIPXVFZSA-N 1 0 414.594 3.506 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002279229 569328015 /nfs/dbraw/zinc/32/80/15/569328015.db2.gz IIVIDDUDYYSMQA-RYUDHWBXSA-N 1 0 422.323 3.633 50 0 HHAARO CC1CCC(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000055055612 569380784 /nfs/dbraw/zinc/38/07/84/569380784.db2.gz AXKFPWUVVVEWIB-UHFFFAOYSA-N 1 0 409.368 3.739 50 0 HHAARO O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007941480 569401859 /nfs/dbraw/zinc/40/18/59/569401859.db2.gz PAPXEEZNRMORQX-UHFFFAOYSA-N 1 0 405.542 3.658 50 0 HHAARO Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000079049244 569425443 /nfs/dbraw/zinc/42/54/43/569425443.db2.gz YAKPYUJQCYPTJC-SZPZYZBQSA-N 1 0 401.510 3.783 50 0 HHAARO O=C1C[C@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000019868220 569432239 /nfs/dbraw/zinc/43/22/39/569432239.db2.gz PCCYUJRAKWLFES-UTNBAMHJSA-N 1 0 403.320 3.639 50 0 HHAARO O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000008733778 571109448 /nfs/dbraw/zinc/10/94/48/571109448.db2.gz FRXVBAHBTLCICI-UHFFFAOYSA-N 1 0 401.507 3.732 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000040070938 571151355 /nfs/dbraw/zinc/15/13/55/571151355.db2.gz DXLUSBOIMBGNPA-XMMPIXPASA-N 1 0 417.553 3.904 50 0 HHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)cc1 ZINC000040086987 571157635 /nfs/dbraw/zinc/15/76/35/571157635.db2.gz JLPJYNWBXIZCBI-UHFFFAOYSA-N 1 0 422.529 3.747 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000040108158 571168164 /nfs/dbraw/zinc/16/81/64/571168164.db2.gz XJEALIUWFHBSEA-YLJYHZDGSA-N 1 0 407.986 3.865 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000040112380 571170459 /nfs/dbraw/zinc/17/04/59/571170459.db2.gz MAEUZGHBRIBLJT-GOSISDBHSA-N 1 0 403.526 3.761 50 0 HHAARO CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000040156443 571203403 /nfs/dbraw/zinc/20/34/03/571203403.db2.gz HARZTEAIRXPEDL-XXBNENTESA-N 1 0 409.574 3.988 50 0 HHAARO CCOC(=O)C1=C(CN2CCCC[C@H]2C)N(C)C(=O)N[C@H]1c1cccc(Cl)c1 ZINC000245328360 571225233 /nfs/dbraw/zinc/22/52/33/571225233.db2.gz OAJNPRWXDHYUHH-KUHUBIRLSA-N 1 0 405.926 3.728 50 0 HHAARO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)C(C)C)cc1 ZINC000009517094 571265257 /nfs/dbraw/zinc/26/52/57/571265257.db2.gz KDGFIOQNZNVWRZ-NHTMILBNSA-N 1 0 419.569 3.892 50 0 HHAARO COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000010233154 571297591 /nfs/dbraw/zinc/29/75/91/571297591.db2.gz RNHDBBGKQGFRKK-JOCHJYFZSA-N 1 0 420.509 3.915 50 0 HHAARO CCOc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010333524 571300566 /nfs/dbraw/zinc/30/05/66/571300566.db2.gz BGAVHLHWPHWZSG-JOCHJYFZSA-N 1 0 405.498 3.596 50 0 HHAARO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1CCCn1cccn1 ZINC000011820812 962199941 /nfs/dbraw/zinc/19/99/41/962199941.db2.gz KFGMFWZGEORNEF-NRFANRHFSA-N 1 0 405.502 3.954 50 0 HHAARO Cc1csc(CNC(=O)c2cccc(OC3CC[NH+](Cc4ccncc4)CC3)c2)n1 ZINC000011843795 962201983 /nfs/dbraw/zinc/20/19/83/962201983.db2.gz WOURQQNAKGNRJL-UHFFFAOYSA-N 1 0 422.554 3.820 50 0 HHAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000011882076 962205792 /nfs/dbraw/zinc/20/57/92/962205792.db2.gz AKSDHXJYCWDFRP-XMMPIXPASA-N 1 0 417.553 3.832 50 0 HHAARO O=C(c1n[nH]c2c1CCCC2)N(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011935085 962209593 /nfs/dbraw/zinc/20/95/93/962209593.db2.gz MWNWQNFSNKKBOH-FQEVSTJZSA-N 1 0 414.594 3.564 50 0 HHAARO COc1ccc(/C=C/C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000012023015 962223555 /nfs/dbraw/zinc/22/35/55/962223555.db2.gz DLVIKHXTOVHJAD-ZZNNXKBLSA-N 1 0 410.514 3.745 50 0 HHAARO CC[C@H](C)C[NH+]1CCC([C@@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000012042927 962227383 /nfs/dbraw/zinc/22/73/83/962227383.db2.gz BAZWGHSDSGSGLF-MHECFPHRSA-N 1 0 415.578 3.696 50 0 HHAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000012123435 962243530 /nfs/dbraw/zinc/24/35/30/962243530.db2.gz HPJJZRLNQVABJH-LJQANCHMSA-N 1 0 411.575 3.774 50 0 HHAARO C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000012149193 962246329 /nfs/dbraw/zinc/24/63/29/962246329.db2.gz MMUKZBSDIMKJEH-KRWDZBQOSA-N 1 0 422.481 3.838 50 0 HHAARO CC(C)c1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 ZINC000012204858 962252502 /nfs/dbraw/zinc/25/25/02/962252502.db2.gz XDJYQRKDPPXYFE-YADHBBJMSA-N 1 0 400.563 3.619 50 0 HHAARO COc1cc(-c2n[nH]cc2C[NH+]2CCC(c3ccncc3)CC2)cc(OC)c1OC ZINC000012317818 962270491 /nfs/dbraw/zinc/27/04/91/962270491.db2.gz NMUKSSGKESQELS-UHFFFAOYSA-N 1 0 408.502 3.877 50 0 HHAARO O=C(c1nc2ccccn2c1C[NH2+]CCCn1ccc2ccccc21)N1CCCC1 ZINC000012433712 962279801 /nfs/dbraw/zinc/27/98/01/962279801.db2.gz NFPUGDKUWIRICU-UHFFFAOYSA-N 1 0 401.514 3.705 50 0 HHAARO Cc1ccc(CN(C)C(=O)C2CC[NH+](C3CCN(Cc4cccc(C)n4)CC3)CC2)o1 ZINC000012447860 962280341 /nfs/dbraw/zinc/28/03/41/962280341.db2.gz NHIWXUSRWAKWEV-UHFFFAOYSA-N 1 0 424.589 3.626 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC ZINC000012589670 962297780 /nfs/dbraw/zinc/29/77/80/962297780.db2.gz FIUMEAGAWGOHFK-DEOSSOPVSA-N 1 0 411.546 3.777 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3[nH]c4ccccc4c3C)CC2)c1 ZINC000012586211 962298378 /nfs/dbraw/zinc/29/83/78/962298378.db2.gz WFJAZNZCOQATQN-UHFFFAOYSA-N 1 0 421.541 3.896 50 0 HHAARO CCOC(=O)C1CC[NH+](C2CCN(C(=O)c3oc4c(cccc4F)c3C)CC2)CC1 ZINC000012715366 962318554 /nfs/dbraw/zinc/31/85/54/962318554.db2.gz ATQSGYLHFSRPDX-UHFFFAOYSA-N 1 0 416.493 3.760 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014536701 962524594 /nfs/dbraw/zinc/52/45/94/962524594.db2.gz ZLHIRAGOHVTXLO-FQEVSTJZSA-N 1 0 424.589 3.617 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014747001 962567616 /nfs/dbraw/zinc/56/76/16/962567616.db2.gz WULAIGRNLHBHJN-GOSISDBHSA-N 1 0 400.592 3.826 50 0 HHAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H]([NH2+]CCc1ccccc1)CC2 ZINC000014749351 962567891 /nfs/dbraw/zinc/56/78/91/962567891.db2.gz QINFNDGIWANDKC-OAQYLSRUSA-N 1 0 408.590 3.855 50 0 HHAARO Cc1cccc(COc2nc3cc(C)ccc3cc2C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000014981418 962617852 /nfs/dbraw/zinc/61/78/52/962617852.db2.gz WGMGUURATWRJFC-FQEVSTJZSA-N 1 0 424.566 3.955 50 0 HHAARO Cc1cccc(COc2nc3cc(C)ccc3cc2C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC000014981420 962617906 /nfs/dbraw/zinc/61/79/06/962617906.db2.gz WGMGUURATWRJFC-HXUWFJFHSA-N 1 0 424.566 3.955 50 0 HHAARO O=C1CC[N@H+](C2CCN(CCc3ccccc3)CC2)CCN1Cc1ccc(F)cc1 ZINC000019225591 963357758 /nfs/dbraw/zinc/35/77/58/963357758.db2.gz LOKNCSJDDZMSMY-UHFFFAOYSA-N 1 0 409.549 3.567 50 0 HHAARO Cc1cc(C[NH2+][C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)on1 ZINC000019742403 963374054 /nfs/dbraw/zinc/37/40/54/963374054.db2.gz DTUJLPRLHUCRPQ-INIZCTEOSA-N 1 0 412.559 3.982 50 0 HHAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)c(OC)cc2C)CN1Cc1ccccc1 ZINC000020255225 963386564 /nfs/dbraw/zinc/38/65/64/963386564.db2.gz BTOPGHGHPBERSK-RPWUZVMVSA-N 1 0 423.601 3.913 50 0 HHAARO CCn1nc(C)c(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020449933 963389133 /nfs/dbraw/zinc/38/91/33/963389133.db2.gz IHINCUYZCFOQIB-NRFANRHFSA-N 1 0 414.594 3.676 50 0 HHAARO Cc1c2cc(C)cc(CNC(=O)C[C@H]3CN(C)CC[N@@H+]3C)c2[nH]c1-c1ccccc1 ZINC000020907327 963403285 /nfs/dbraw/zinc/40/32/85/963403285.db2.gz CBPVSJYQNQCXGJ-NRFANRHFSA-N 1 0 404.558 3.704 50 0 HHAARO c1ccc(COc2ccc(C[N@H+]3CCc4nnc([C@@H]5CCCO5)n4CC3)cc2)cc1 ZINC000023153256 963775628 /nfs/dbraw/zinc/77/56/28/963775628.db2.gz LJTLBABWAHGEPL-QFIPXVFZSA-N 1 0 404.514 3.767 50 0 HHAARO c1ccc(COc2ccc(C[N@H+]3CCc4nnc([C@H]5CCCO5)n4CC3)cc2)cc1 ZINC000023153255 963775768 /nfs/dbraw/zinc/77/57/68/963775768.db2.gz LJTLBABWAHGEPL-JOCHJYFZSA-N 1 0 404.514 3.767 50 0 HHAARO O=c1cc(C(F)F)nc(-c2ccccc2CN2CCC[N@@H+](C3CCCC3)CC2)[nH]1 ZINC000055108162 965757543 /nfs/dbraw/zinc/75/75/43/965757543.db2.gz RWHXBQNZBDXBEF-UHFFFAOYSA-N 1 0 402.489 3.825 50 0 HHAARO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c3cccc(C)c3n2)cn1 ZINC000063882042 966986592 /nfs/dbraw/zinc/98/65/92/966986592.db2.gz OEYDLHGFJVSADV-IBGZPJMESA-N 1 0 403.530 3.737 50 0 HHAARO CC(C)NC(=O)c1ccccc1OC[C@@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000169774385 970478600 /nfs/dbraw/zinc/47/86/00/970478600.db2.gz JIBPTQLOXHFNGF-LJQANCHMSA-N 1 0 416.562 3.601 50 0 HHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000169780851 970480668 /nfs/dbraw/zinc/48/06/68/970480668.db2.gz CWZSDTMTBDGRCL-DEOSSOPVSA-N 1 0 419.569 3.522 50 0 HHAARO CC[NH+](CC)Cc1ccc2c(c1)CN(C(=O)c1cncc(Br)c1)CCO2 ZINC000169788352 970481805 /nfs/dbraw/zinc/48/18/05/970481805.db2.gz IZFBNUGJXBHQJN-UHFFFAOYSA-N 1 0 418.335 3.721 50 0 HHAARO COc1ccc(C(=O)N2CCC([N@@H+]3C[C@@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000169787009 970481850 /nfs/dbraw/zinc/48/18/50/970481850.db2.gz XBCMGJOQYOUFEN-OAQYLSRUSA-N 1 0 413.562 3.509 50 0 HHAARO CCCCN(C(=O)C[C@H]1CCc2nnc(C3CC3)n2CC1)C1CC[NH+](CC)CC1 ZINC000257187878 970622249 /nfs/dbraw/zinc/62/22/49/970622249.db2.gz CQEDWYFIEIWGAU-SFHVURJKSA-N 1 0 401.599 3.611 50 0 HHAARO Cc1nnc([C@H]2CC3(C[N@H+]2CC(C)C)CC[NH+](Cc2cccc(C(=O)[O-])c2)CC3)o1 ZINC000257192989 970625091 /nfs/dbraw/zinc/62/50/91/970625091.db2.gz WVOSKKDVIVMUOG-HXUWFJFHSA-N 1 0 412.534 3.761 50 0 HHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)CCNC(=O)CC2)c1 ZINC000257196655 970625851 /nfs/dbraw/zinc/62/58/51/970625851.db2.gz YPKSLTTYPJENDR-HXUWFJFHSA-N 1 0 419.529 3.716 50 0 HHAARO COc1ccc(Cl)cc1C(=O)N1CCC([C@H]2c3[nH]cnc3CC[N@@H+]2C(C)C)CC1 ZINC000409419668 972890928 /nfs/dbraw/zinc/89/09/28/972890928.db2.gz APSNVTAJWCXJBP-NRFANRHFSA-N 1 0 416.953 3.932 50 0 HHAARO O=C(c1ccccc1OC[C@@H]1CCC[N@H+](Cc2ccsc2)C1)N1CCOCC1 ZINC000169749164 1075688520 /nfs/dbraw/zinc/68/85/20/1075688520.db2.gz NSHOMGXQJYWKOO-GOSISDBHSA-N 1 0 400.544 3.512 50 0 HHAARO O=C(c1ccccc1OC[C@H]1CCC[N@H+](Cc2ccsc2)C1)N1CCOCC1 ZINC000169749165 1075688587 /nfs/dbraw/zinc/68/85/87/1075688587.db2.gz NSHOMGXQJYWKOO-SFHVURJKSA-N 1 0 400.544 3.512 50 0 HHAARO COc1ccccc1N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000004706897 132284408 /nfs/dbraw/zinc/28/44/08/132284408.db2.gz WJNPANGSCRVXRF-UHFFFAOYSA-N 1 0 418.335 3.609 50 0 HHAARO Nc1cc(N)[nH+]c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)n1 ZINC000006830483 132318161 /nfs/dbraw/zinc/31/81/61/132318161.db2.gz XJVMAHJAMLIFFX-HNNXBMFYSA-N 1 0 409.540 3.613 50 0 HHAARO CCCCOc1ccc(C(=O)N2CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)cc1 ZINC000009620654 132341814 /nfs/dbraw/zinc/34/18/14/132341814.db2.gz HZKLPHTVHLYPIZ-UHFFFAOYSA-N 1 0 423.561 3.527 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009906325 132343962 /nfs/dbraw/zinc/34/39/62/132343962.db2.gz SUKLLAHPARSOFA-UHFFFAOYSA-N 1 0 422.312 3.784 50 0 HHAARO Cc1ccc(N2CC[NH+](C[C@H](O)Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000028297201 132492723 /nfs/dbraw/zinc/49/27/23/132492723.db2.gz SEMXTDOYGUQDTK-SFHVURJKSA-N 1 0 418.463 3.547 50 0 HHAARO CC(C)c1ccc(S(=O)(=O)N[C@@H](C)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000032916439 519838581 /nfs/dbraw/zinc/83/85/81/519838581.db2.gz WNXUDRNMDZMSQB-FQEVSTJZSA-N 1 0 415.603 3.689 50 0 HHAARO CC[NH+]1CCN(CCOc2ccc3c(c2)oc(C)c(-c2ccc(OC)cc2)c3=O)CC1 ZINC000020589351 521683804 /nfs/dbraw/zinc/68/38/04/521683804.db2.gz NHDTZIBAIUIMTA-UHFFFAOYSA-N 1 0 422.525 3.793 50 0 biogenic HHAARO C[NH+]1CCN(c2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)nc2)CC1 ZINC000032937042 523925708 /nfs/dbraw/zinc/92/57/08/523925708.db2.gz LUMVVOKZAYNKFN-UHFFFAOYSA-N 1 0 400.482 3.710 50 0 HHAARO COc1ccc(CC[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)cc2)cc1 ZINC000032616960 523975380 /nfs/dbraw/zinc/97/53/80/523975380.db2.gz GMGGQDVSVGWEMQ-UHFFFAOYSA-N 1 0 401.470 3.796 50 0 HHAARO Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OCc4nccn4C)cc3)CC2)cc1 ZINC000045014419 524445473 /nfs/dbraw/zinc/44/54/73/524445473.db2.gz PTOYBUVXWLBKEE-UHFFFAOYSA-N 1 0 418.541 3.656 50 0 HHAARO COc1nc2cc(C)c(C)cc2nc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045967250 524989646 /nfs/dbraw/zinc/98/96/46/524989646.db2.gz WKXKREYUYMSLAB-UHFFFAOYSA-N 1 0 404.514 3.650 50 0 HHAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1Cl ZINC000043954011 525055724 /nfs/dbraw/zinc/05/57/24/525055724.db2.gz GQHSBPOAAVYRSG-UHFFFAOYSA-N 1 0 414.980 3.601 50 0 HHAARO Cc1ccc(-c2cccc3c(C(=O)NCCCN4CC[NH+](C)CC4)cc(C)nc23)cc1 ZINC000033036947 525757018 /nfs/dbraw/zinc/75/70/18/525757018.db2.gz LBQQLWYFYQBYLS-UHFFFAOYSA-N 1 0 416.569 3.886 50 0 HHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000043991307 526159385 /nfs/dbraw/zinc/15/93/85/526159385.db2.gz PMCJEILIERUFKA-OAQYLSRUSA-N 1 0 412.555 3.577 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355460 526305932 /nfs/dbraw/zinc/30/59/32/526305932.db2.gz KLGDYLIOUIGCOD-UHFFFAOYSA-N 1 0 413.330 3.528 50 0 HHAARO Cc1nc(-c2cccc(NC(=O)NC[C@H]([C@H]3CCOC3)[NH+]3CCCC3)c2)cs1 ZINC000058404625 526588451 /nfs/dbraw/zinc/58/84/51/526588451.db2.gz XIMUDQHOUHAGHM-FXAWDEMLSA-N 1 0 400.548 3.741 50 0 HHAARO Clc1cccc(CNNc2nc(N3CCCCC3)nc(N3CCCCC3)[nH+]2)c1 ZINC000000894435 526976604 /nfs/dbraw/zinc/97/66/04/526976604.db2.gz VAPFDNULJHNSIC-UHFFFAOYSA-N 1 0 401.946 3.622 50 0 HHAARO O=C(Nc1ccc(F)cc1)[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000032899560 527202674 /nfs/dbraw/zinc/20/26/74/527202674.db2.gz ORIUBRLUCLQZKM-QFIPXVFZSA-N 1 0 421.472 3.993 50 0 HHAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc2c(c1)CCCC2 ZINC000043953950 527213136 /nfs/dbraw/zinc/21/31/36/527213136.db2.gz SULKTCQZSKBJTE-UHFFFAOYSA-N 1 0 404.601 3.817 50 0 HHAARO CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000951975 557124910 /nfs/dbraw/zinc/12/49/10/557124910.db2.gz OVIVBOOQINGKIH-UHFFFAOYSA-N 1 0 413.518 3.919 50 0 HHAARO Cc1cc([C@H]2C[C@@H](C(=O)N3CCOCC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716779 557430436 /nfs/dbraw/zinc/43/04/36/557430436.db2.gz GZYJQPIIMAMLAA-LEWJYISDSA-N 1 0 414.496 3.738 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740524 557444109 /nfs/dbraw/zinc/44/41/09/557444109.db2.gz RPICABBINFTRDJ-NZQKXSOJSA-N 1 0 415.553 3.511 50 0 HHAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)C1CC1 ZINC000034834951 557467526 /nfs/dbraw/zinc/46/75/26/557467526.db2.gz IFXKCGRDXKFADW-LJQANCHMSA-N 1 0 423.605 3.860 50 0 HHAARO CCOc1ccc(CC2CC[NH+]([C@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000004738753 557589924 /nfs/dbraw/zinc/58/99/24/557589924.db2.gz FCKJNMAFSNSPPC-QHCPKHFHSA-N 1 0 406.526 3.980 50 0 HHAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc(Cl)c1 ZINC000005274593 557642890 /nfs/dbraw/zinc/64/28/90/557642890.db2.gz ZPQGNKIGSXBTTC-GOSISDBHSA-N 1 0 402.281 3.939 50 0 HHAARO COc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000022766944 557814971 /nfs/dbraw/zinc/81/49/71/557814971.db2.gz GYNOXAKPYBCGCF-INIZCTEOSA-N 1 0 405.520 3.733 50 0 HHAARO Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=[NH+][C@@H]2[C@@H]1CC=CCC1 ZINC000009052910 557820589 /nfs/dbraw/zinc/82/05/89/557820589.db2.gz ONQFQSBELPLCJS-IERDGZPVSA-N 1 0 402.502 3.502 50 0 HHAARO CCOC(=O)c1sc2nc3c(cc2c1NC(=O)C[NH2+]CC(C)C)COC(C)(C)C3 ZINC000009061222 557821346 /nfs/dbraw/zinc/82/13/46/557821346.db2.gz SQATUCPWXYLSPD-UHFFFAOYSA-N 1 0 419.547 3.508 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022794414 557822018 /nfs/dbraw/zinc/82/20/18/557822018.db2.gz XJEHKKQVQUIIKM-FQEVSTJZSA-N 1 0 422.356 3.721 50 0 HHAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011663392 558267047 /nfs/dbraw/zinc/26/70/47/558267047.db2.gz QIJPFQJNRMLCJF-GOSISDBHSA-N 1 0 416.485 3.568 50 0 HHAARO C[NH+]1CCC(N2CCC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000011772419 558274502 /nfs/dbraw/zinc/27/45/02/558274502.db2.gz TVKMSMUZINAGJT-CQSZACIVSA-N 1 0 403.876 3.647 50 0 HHAARO COC(=O)CCCC(=O)N(CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011773465 558274515 /nfs/dbraw/zinc/27/45/15/558274515.db2.gz CIICRQQJBOBOOW-UHFFFAOYSA-N 1 0 418.578 3.735 50 0 HHAARO COc1cc(CC(=O)N[C@@H]2CCC[N@@H+](C3CCCCCC3)C2)cc(OC)c1OC ZINC000011817409 558280626 /nfs/dbraw/zinc/28/06/26/558280626.db2.gz LYWYIFOIURSXPY-GOSISDBHSA-N 1 0 404.551 3.558 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000019773998 558280865 /nfs/dbraw/zinc/28/08/65/558280865.db2.gz JDCDWEDQQHQOHR-SFHVURJKSA-N 1 0 423.586 3.780 50 0 HHAARO Clc1cccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000019789880 558282158 /nfs/dbraw/zinc/28/21/58/558282158.db2.gz YQTGHPBCPGRIDD-NRFANRHFSA-N 1 0 413.949 3.855 50 0 HHAARO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)o1 ZINC000011819162 558282481 /nfs/dbraw/zinc/28/24/81/558282481.db2.gz BFALRJVMXYFOJJ-KRWDZBQOSA-N 1 0 400.548 3.914 50 0 HHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@@H](C)O2 ZINC000011841873 558287431 /nfs/dbraw/zinc/28/74/31/558287431.db2.gz XPTRGIZHCYWHAA-IBVKSMDESA-N 1 0 422.569 3.940 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+]C[C@@H]2COCCO2)cc1F ZINC000011873726 558291470 /nfs/dbraw/zinc/29/14/70/558291470.db2.gz BTBLIKKXXRBIQG-LJQANCHMSA-N 1 0 411.477 3.500 50 0 HHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000019837368 558292992 /nfs/dbraw/zinc/29/29/92/558292992.db2.gz LVCKUPCDNXKXEH-UHFFFAOYSA-N 1 0 417.575 3.606 50 0 HHAARO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)no2)cc1 ZINC000011905213 558295754 /nfs/dbraw/zinc/29/57/54/558295754.db2.gz DEUUFNIMVICVOQ-QFIPXVFZSA-N 1 0 421.497 3.926 50 0 HHAARO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000011933114 558297944 /nfs/dbraw/zinc/29/79/44/558297944.db2.gz QXJOMRDUOSLBQX-IBGZPJMESA-N 1 0 403.542 3.967 50 0 HHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000011933710 558298313 /nfs/dbraw/zinc/29/83/13/558298313.db2.gz GWPFTRHLVYNPFY-UHFFFAOYSA-N 1 0 409.486 3.837 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccc2cc[nH]c2c1 ZINC000011973530 558305362 /nfs/dbraw/zinc/30/53/62/558305362.db2.gz SRRFOSLDBCTSQK-OAQYLSRUSA-N 1 0 404.514 3.507 50 0 HHAARO CCc1ocnc1C(=O)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000011996655 558306925 /nfs/dbraw/zinc/30/69/25/558306925.db2.gz FFFKBYQHHULZAF-INIZCTEOSA-N 1 0 403.473 3.890 50 0 HHAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012076178 558319927 /nfs/dbraw/zinc/31/99/27/558319927.db2.gz BWPSUWIZTOIOJT-LJQANCHMSA-N 1 0 406.505 3.962 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H]2COCCO2)c(F)c1 ZINC000012092490 558324468 /nfs/dbraw/zinc/32/44/68/558324468.db2.gz GXGCRHVTYQJWIX-FQEVSTJZSA-N 1 0 411.477 3.534 50 0 HHAARO [NH2+]=C(NC1=N[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1)Nc1ccccc1 ZINC000020101680 558331963 /nfs/dbraw/zinc/33/19/63/558331963.db2.gz VSHKHOVJOLPZIU-AWEZNQCLSA-N 1 0 419.272 3.653 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2sc(C(=O)NCc3ccccc3)c(C)c21 ZINC000012190749 558347558 /nfs/dbraw/zinc/34/75/58/558347558.db2.gz FYBHQAODWGTILU-QGZVFWFLSA-N 1 0 409.559 3.826 50 0 HHAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)c1OC ZINC000012192463 558348144 /nfs/dbraw/zinc/34/81/44/558348144.db2.gz ZLROBFLQINHSMG-QGZVFWFLSA-N 1 0 407.514 3.827 50 0 HHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cc(F)ccc3-n3cccn3)C2)c1 ZINC000012201333 558351493 /nfs/dbraw/zinc/35/14/93/558351493.db2.gz PZOHQFFSBCHYAH-DEOSSOPVSA-N 1 0 409.505 3.837 50 0 HHAARO O=C(CCC1CC[NH+](C2CSCCSC2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012203975 558352305 /nfs/dbraw/zinc/35/23/05/558352305.db2.gz GGEPTXFFXIEHLK-UHFFFAOYSA-N 1 0 422.616 3.737 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC=CCC1 ZINC000012205255 558352600 /nfs/dbraw/zinc/35/26/00/558352600.db2.gz ZVFMLXVAQNPHBS-OAQYLSRUSA-N 1 0 400.563 3.739 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 ZINC000012206885 558352978 /nfs/dbraw/zinc/35/29/78/558352978.db2.gz IJPWWTPFLGHENV-QGZVFWFLSA-N 1 0 403.498 3.878 50 0 HHAARO COc1ccc2cc(C[NH2+]CCn3ccnc3)c(OCc3ccccc3F)nc2c1 ZINC000012217638 558354347 /nfs/dbraw/zinc/35/43/47/558354347.db2.gz YNGZSSYRKKDLCZ-UHFFFAOYSA-N 1 0 406.461 3.948 50 0 HHAARO COc1cccc(CN2CCC[C@@]3(CC[N@H+](CCc4ccccc4)C3)C2=O)c1OC ZINC000020321786 558355378 /nfs/dbraw/zinc/35/53/78/558355378.db2.gz BUBHLRLSKLWNFF-VWLOTQADSA-N 1 0 408.542 3.761 50 0 HHAARO Cc1ccc(N2C(=O)C[C@@H](NC3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1Cl ZINC000020395315 558359909 /nfs/dbraw/zinc/35/99/09/558359909.db2.gz HDFAPBXNCKXMED-OAQYLSRUSA-N 1 0 411.933 3.535 50 0 HHAARO CC[C@H]1C[N@H+](CCC(=O)N[C@@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012245668 558361523 /nfs/dbraw/zinc/36/15/23/558361523.db2.gz YEXCSVRASVCNKZ-YOEHRIQHSA-N 1 0 403.548 3.701 50 0 HHAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@@H]3CCN3CCOCC3)c(C)o2)ccc1F ZINC000020452189 558366248 /nfs/dbraw/zinc/36/62/48/558366248.db2.gz FCPCYMRLYAZMKP-LJQANCHMSA-N 1 0 417.525 3.875 50 0 HHAARO CCOC[C@H](O)C[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012298997 558369007 /nfs/dbraw/zinc/36/90/07/558369007.db2.gz SRQMMUGAEAQKBM-GOSISDBHSA-N 1 0 415.921 3.688 50 0 HHAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000012299109 558369195 /nfs/dbraw/zinc/36/91/95/558369195.db2.gz NXNOJOWKIDNUQT-AREMUKBSSA-N 1 0 406.570 3.710 50 0 HHAARO COCCN(Cc1cccc2nonc21)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012299944 558369766 /nfs/dbraw/zinc/36/97/66/558369766.db2.gz SPEGKZXTZGURJW-IBGZPJMESA-N 1 0 420.557 3.551 50 0 HHAARO Cc1c([C@H](C)[NH2+]Cc2cn(CC(N)=O)c3ccccc23)cnn1-c1cccc(F)c1 ZINC000012305990 558374895 /nfs/dbraw/zinc/37/48/95/558374895.db2.gz QFHUNSZFYSTPSO-HNNXBMFYSA-N 1 0 405.477 3.611 50 0 HHAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)cn1 ZINC000012307518 558376152 /nfs/dbraw/zinc/37/61/52/558376152.db2.gz BEMFMXSHFMBHKY-UHFFFAOYSA-N 1 0 405.502 3.941 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC[C@H](OC)C2)c1 ZINC000012315292 558378604 /nfs/dbraw/zinc/37/86/04/558378604.db2.gz VABJGRVRCLEJOF-NRFANRHFSA-N 1 0 416.562 3.732 50 0 HHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012316992 558380280 /nfs/dbraw/zinc/38/02/80/558380280.db2.gz NGSVQXLDIUZZGZ-RUJXFNLJSA-N 1 0 404.514 3.727 50 0 HHAARO O[C@@H](C[NH2+]CCNc1ncccc1C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000012338942 558386074 /nfs/dbraw/zinc/38/60/74/558386074.db2.gz OZKXQMJKCKPFLX-NSHDSACASA-N 1 0 424.250 3.849 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012387170 558395883 /nfs/dbraw/zinc/39/58/83/558395883.db2.gz GMVKFZRLCQIKMV-OAQYLSRUSA-N 1 0 402.579 3.613 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012434949 558408537 /nfs/dbraw/zinc/40/85/37/558408537.db2.gz KGNWLOPCLXOSPX-FQEVSTJZSA-N 1 0 407.558 3.710 50 0 HHAARO O=C(c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H](O)C1 ZINC000012439106 558410534 /nfs/dbraw/zinc/41/05/34/558410534.db2.gz HMCQOUYNQPNHCJ-GOSISDBHSA-N 1 0 406.954 3.723 50 0 HHAARO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000012440475 558411756 /nfs/dbraw/zinc/41/17/56/558411756.db2.gz SKVOPWWDEMFKCH-OAQYLSRUSA-N 1 0 403.482 3.850 50 0 HHAARO c1ccc(CCc2noc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020784114 558413564 /nfs/dbraw/zinc/41/35/64/558413564.db2.gz RBCYSMKKPFYTLJ-HSZRJFAPSA-N 1 0 402.542 3.530 50 0 HHAARO CCc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000012456162 558417275 /nfs/dbraw/zinc/41/72/75/558417275.db2.gz IGJSYPCQUBNIJH-UHFFFAOYSA-N 1 0 422.485 3.857 50 0 HHAARO CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1C ZINC000012458195 558418326 /nfs/dbraw/zinc/41/83/26/558418326.db2.gz QFCKPRYZSNQQJG-FQEVSTJZSA-N 1 0 411.546 3.635 50 0 HHAARO CSCC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccncc3)cc2)CC1 ZINC000012460081 558419201 /nfs/dbraw/zinc/41/92/01/558419201.db2.gz UJQGBVNQAVRPSD-SFHVURJKSA-N 1 0 413.587 3.996 50 0 HHAARO COc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(Cc4cccc(OC)c4)C3)cn2)cc1 ZINC000020909067 558421755 /nfs/dbraw/zinc/42/17/55/558421755.db2.gz CMUQREJUKUPBLL-JOCHJYFZSA-N 1 0 418.541 3.915 50 0 HHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccccc2)N1CC1(c2ccccc2)CCOCC1 ZINC000012512563 558424313 /nfs/dbraw/zinc/42/43/13/558424313.db2.gz BYQFOMZYCXGCCD-HSZRJFAPSA-N 1 0 422.569 3.785 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCCc2ccccc2)C1 ZINC000012578202 558431784 /nfs/dbraw/zinc/43/17/84/558431784.db2.gz NMWAGPXBHSEBKE-QFIPXVFZSA-N 1 0 409.574 3.834 50 0 HHAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccco4)CC3)C2)cc1F ZINC000012597069 558438136 /nfs/dbraw/zinc/43/81/36/558438136.db2.gz BQURPLKOQPMSBZ-SFHVURJKSA-N 1 0 400.494 3.987 50 0 HHAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccco4)CC3)C2)cc1F ZINC000012597067 558438228 /nfs/dbraw/zinc/43/82/28/558438228.db2.gz BQURPLKOQPMSBZ-GOSISDBHSA-N 1 0 400.494 3.987 50 0 HHAARO CCn1nc(C)c(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)c1C ZINC000012710338 558451883 /nfs/dbraw/zinc/45/18/83/558451883.db2.gz VUIFVYVOJCZBOJ-UHFFFAOYSA-N 1 0 420.561 3.735 50 0 HHAARO Cc1ccccc1Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1cnn2C ZINC000021928599 558455863 /nfs/dbraw/zinc/45/58/63/558455863.db2.gz HYSWHCZGXOSXNA-UHFFFAOYSA-N 1 0 413.529 3.738 50 0 HHAARO CC(=O)NCCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000012747010 558458350 /nfs/dbraw/zinc/45/83/50/558458350.db2.gz LXAYEBYYZYSDQU-UHFFFAOYSA-N 1 0 413.606 3.547 50 0 HHAARO COc1cc([C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH2+]CC2)cc(OC)c1OC ZINC000022028466 558459041 /nfs/dbraw/zinc/45/90/41/558459041.db2.gz ZDEIQJMNUOZCPA-LJQANCHMSA-N 1 0 410.436 3.726 50 0 HHAARO Cc1ccc2c(C)c(CCC(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)c(=O)oc2c1 ZINC000012942029 558487102 /nfs/dbraw/zinc/48/71/02/558487102.db2.gz YYWCKDUKODHDPS-OAQYLSRUSA-N 1 0 410.489 3.901 50 0 HHAARO C[C@@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803562 558513454 /nfs/dbraw/zinc/51/34/54/558513454.db2.gz BJHHCXNKQJUYMI-IBGZPJMESA-N 1 0 407.583 3.766 50 0 HHAARO CC(C)(C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCOCC1 ZINC000022914093 558520875 /nfs/dbraw/zinc/52/08/75/558520875.db2.gz HIXSEMYSGROGII-UHFFFAOYSA-N 1 0 404.558 3.799 50 0 HHAARO C[C@@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916481 558521631 /nfs/dbraw/zinc/52/16/31/558521631.db2.gz XPRMUYGWWQHZIE-KRWDZBQOSA-N 1 0 416.363 3.636 50 0 HHAARO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000022916454 558521687 /nfs/dbraw/zinc/52/16/87/558521687.db2.gz ARZXKPSUYMHYMF-KRWDZBQOSA-N 1 0 401.938 3.536 50 0 HHAARO O=C(CC[NH+]1CCN(CCOc2ccccc2)CC1)Nc1cccc2ccccc21 ZINC000022932161 558524704 /nfs/dbraw/zinc/52/47/04/558524704.db2.gz SQQYQENNZYRABN-UHFFFAOYSA-N 1 0 403.526 3.865 50 0 HHAARO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1CCc1ccccc1 ZINC000022932730 558524884 /nfs/dbraw/zinc/52/48/84/558524884.db2.gz HWASPSPGVHLQBT-QFIPXVFZSA-N 1 0 407.583 3.921 50 0 HHAARO Cn1ncnc1CC[NH2+]C1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000023145406 558538337 /nfs/dbraw/zinc/53/83/37/558538337.db2.gz QPCOLOVNTNGFAH-UHFFFAOYSA-N 1 0 400.530 3.765 50 0 HHAARO CN(C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)[C@@H]1CCOC1 ZINC000013595911 558547047 /nfs/dbraw/zinc/54/70/47/558547047.db2.gz DNXGOCLDAXFQNW-JOCHJYFZSA-N 1 0 408.542 3.633 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)c1OC ZINC000023361237 558552544 /nfs/dbraw/zinc/55/25/44/558552544.db2.gz YGTIVCXUPNNMTL-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374980 558554464 /nfs/dbraw/zinc/55/44/64/558554464.db2.gz IFWUGSJUQPQBIB-XMMPIXPASA-N 1 0 401.558 3.863 50 0 HHAARO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641526 558555724 /nfs/dbraw/zinc/55/57/24/558555724.db2.gz HPJLOOVCFHZZNR-OAHLLOKOSA-N 1 0 422.485 3.531 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NCc1ccccc1C[NH+]1CCCC1 ZINC000024190156 558591522 /nfs/dbraw/zinc/59/15/22/558591522.db2.gz CSIORNUUBZQDLU-UHFFFAOYSA-N 1 0 414.933 3.956 50 0 HHAARO O=S(=O)(NC1CCCC1)c1ccc(NCc2ccccc2C[NH+]2CCCC2)nc1 ZINC000024528652 558600414 /nfs/dbraw/zinc/60/04/14/558600414.db2.gz FBGCVINXAGEXDC-UHFFFAOYSA-N 1 0 414.575 3.510 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)[NH+]2CCCC2)cc1 ZINC000014094461 558619462 /nfs/dbraw/zinc/61/94/62/558619462.db2.gz OQJRWGROZLZHNA-GOSISDBHSA-N 1 0 402.878 3.644 50 0 HHAARO O=C(Nc1cccc(C[NH2+][C@H]2CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1Cl ZINC000014114872 558621531 /nfs/dbraw/zinc/62/15/31/558621531.db2.gz CHRWFIKAJCNEFA-HNNXBMFYSA-N 1 0 413.326 3.522 50 0 HHAARO O=C(C[NH+]1CCCC1)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000025418599 558640407 /nfs/dbraw/zinc/64/04/07/558640407.db2.gz NPDRRZBYLKAIED-IBGZPJMESA-N 1 0 402.420 3.883 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419359 558640414 /nfs/dbraw/zinc/64/04/14/558640414.db2.gz CTEURORNABHDFN-RPWUZVMVSA-N 1 0 415.537 3.967 50 0 HHAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H]([N@H+](C)Cc1ccsc1)CC2 ZINC000014748314 558669941 /nfs/dbraw/zinc/66/99/41/558669941.db2.gz LXDNIZHUYXJBMU-LJQANCHMSA-N 1 0 408.571 3.743 50 0 HHAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3Cc4ccccc4C3)CC2)C1=O ZINC000014749378 558670442 /nfs/dbraw/zinc/67/04/42/558670442.db2.gz VMZMNRDQHSVTPF-UHFFFAOYSA-N 1 0 417.553 3.515 50 0 HHAARO Cn1cc(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)c2ccccc21 ZINC000014751064 558670830 /nfs/dbraw/zinc/67/08/30/558670830.db2.gz PLIAVTJTZTWPEN-UHFFFAOYSA-N 1 0 416.525 3.607 50 0 HHAARO COc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027664218 558679481 /nfs/dbraw/zinc/67/94/81/558679481.db2.gz VEOPXJVTPONFOQ-HSZRJFAPSA-N 1 0 412.530 3.816 50 0 HHAARO CN(C(=O)c1cc2ccccc2oc1=O)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014948436 558680249 /nfs/dbraw/zinc/68/02/49/558680249.db2.gz VXOUDUDNWRLPEQ-NRFANRHFSA-N 1 0 404.510 3.962 50 0 HHAARO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027744285 558681119 /nfs/dbraw/zinc/68/11/19/558681119.db2.gz DSRIORSLQVDQPD-FQEVSTJZSA-N 1 0 415.622 3.818 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000014955625 558682295 /nfs/dbraw/zinc/68/22/95/558682295.db2.gz AQDWZCLSXDASMU-UHFFFAOYSA-N 1 0 406.526 3.598 50 0 HHAARO C[NH+]1CCN([C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000027793502 558682717 /nfs/dbraw/zinc/68/27/17/558682717.db2.gz LFBHIGZUDFBARN-FQEVSTJZSA-N 1 0 406.357 3.641 50 0 HHAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000027794318 558682888 /nfs/dbraw/zinc/68/28/88/558682888.db2.gz KUGQEVHCUDJCHY-UTKZUKDTSA-N 1 0 400.494 3.945 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000014961067 558684075 /nfs/dbraw/zinc/68/40/75/558684075.db2.gz ALZOPBHNKVZVCV-UHFFFAOYSA-N 1 0 410.468 3.823 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC000014962191 558684474 /nfs/dbraw/zinc/68/44/74/558684474.db2.gz DDQMEILYBVEZBR-LJQANCHMSA-N 1 0 412.578 3.579 50 0 HHAARO Cn1cc(C[NH+]2CCC(CCC(=O)NCc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000014962687 558684577 /nfs/dbraw/zinc/68/45/77/558684577.db2.gz LFYPUDCQIALBNU-UHFFFAOYSA-N 1 0 408.468 3.748 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000014970140 558687115 /nfs/dbraw/zinc/68/71/15/558687115.db2.gz JHMCTLPZPBIZFH-INIZCTEOSA-N 1 0 403.498 3.878 50 0 HHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](CCCSC)CC1)c1ccccc1 ZINC000014970952 558687379 /nfs/dbraw/zinc/68/73/79/558687379.db2.gz HBNROBDMIYBIGE-FQEVSTJZSA-N 1 0 402.564 3.599 50 0 HHAARO Cc1cccc(-c2cccc(C(=O)N3CCC(=O)N(CC[NH+]4CCCCC4)CC3)c2)c1 ZINC000014993599 558695337 /nfs/dbraw/zinc/69/53/37/558695337.db2.gz XOINFHUEXFGXBC-UHFFFAOYSA-N 1 0 419.569 3.822 50 0 HHAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)NCCc1cccc(Cl)c1 ZINC000014994018 558695535 /nfs/dbraw/zinc/69/55/35/558695535.db2.gz AJDODFCUOPXHJA-UHFFFAOYSA-N 1 0 424.932 3.596 50 0 HHAARO Cc1nc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)CC2)nc2ccc(F)cc12 ZINC000014995336 558696074 /nfs/dbraw/zinc/69/60/74/558696074.db2.gz IBNQETWWQKAACQ-GOSISDBHSA-N 1 0 408.477 3.955 50 0 HHAARO O=C(CCC1CC[NH+](Cc2ccccc2OC(F)F)CC1)NCc1cccnc1 ZINC000015061647 558704751 /nfs/dbraw/zinc/70/47/51/558704751.db2.gz NQAYPFNEWALTPU-UHFFFAOYSA-N 1 0 403.473 3.992 50 0 HHAARO Cc1cc2cc(C(=O)N3CCC([NH+]4CCC(C(=O)NC(C)C)CC4)CC3)ccc2o1 ZINC000015065791 558708553 /nfs/dbraw/zinc/70/85/53/558708553.db2.gz QWJJONFEYUHEBP-UHFFFAOYSA-N 1 0 411.546 3.582 50 0 HHAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC000029358830 558714122 /nfs/dbraw/zinc/71/41/22/558714122.db2.gz OEUDGJUQULDSSC-NRFANRHFSA-N 1 0 415.578 3.934 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@@H](C)c2ccncn2)c1 ZINC000015078525 558717603 /nfs/dbraw/zinc/71/76/03/558717603.db2.gz KXXRZHCLKFRALT-KRWDZBQOSA-N 1 0 424.545 3.762 50 0 HHAARO O=C(c1ccco1)N1CCC[C@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265675 558735589 /nfs/dbraw/zinc/73/55/89/558735589.db2.gz JPQUUYVHJMEBAF-HSZRJFAPSA-N 1 0 401.470 3.595 50 0 biogenic HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(C)o3)CC2)CC1 ZINC000004706997 558780643 /nfs/dbraw/zinc/78/06/43/558780643.db2.gz XVWKVVBHWAGLKE-UHFFFAOYSA-N 1 0 411.546 3.548 50 0 HHAARO CC(C)(C)OC(=O)NCCCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060239145 558782225 /nfs/dbraw/zinc/78/22/25/558782225.db2.gz PKNBGJSUMYCQJD-UHFFFAOYSA-N 1 0 403.567 3.984 50 0 HHAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)n1 ZINC000038149286 558811036 /nfs/dbraw/zinc/81/10/36/558811036.db2.gz VSPBXXAVMJANBD-XMMPIXPASA-N 1 0 422.548 3.697 50 0 HHAARO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@@H+]3CCC[C@H](C(N)=O)C3)c(C)nc2c1 ZINC000071862937 558837354 /nfs/dbraw/zinc/83/73/54/558837354.db2.gz HDLQMSQXOINFDY-FQEVSTJZSA-N 1 0 416.525 3.801 50 0 HHAARO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c(=O)c1Cc1cccc(Cl)c1 ZINC000054253560 558866934 /nfs/dbraw/zinc/86/69/34/558866934.db2.gz JEOOLVASALNNQK-UHFFFAOYSA-N 1 0 408.933 3.645 50 0 HHAARO O=C(CSc1nc2ccccc2[nH]1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004625135 558888431 /nfs/dbraw/zinc/88/84/31/558888431.db2.gz BRIDMNYKWPBDTM-UHFFFAOYSA-N 1 0 410.587 3.768 50 0 HHAARO CCC(CC)[C@@H](CNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)[NH+]1CCCC1 ZINC000058129930 558900423 /nfs/dbraw/zinc/90/04/23/558900423.db2.gz SHAXKJCNINEQES-GOSISDBHSA-N 1 0 415.987 3.766 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1cccs1 ZINC000058162096 558905942 /nfs/dbraw/zinc/90/59/42/558905942.db2.gz MWXQYHQTPHDMHO-HNNXBMFYSA-N 1 0 424.452 3.772 50 0 HHAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccc(F)cc1)C[C@@H](C)CC2 ZINC000058219050 558913242 /nfs/dbraw/zinc/91/32/42/558913242.db2.gz ZHTQLCQRIUIUSX-ZDUSSCGKSA-N 1 0 404.507 3.917 50 0 HHAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CSc3ccccc3Cl)cc2)C1 ZINC000058300277 558917542 /nfs/dbraw/zinc/91/75/42/558917542.db2.gz YRKXYDMJNFFIQI-INIZCTEOSA-N 1 0 417.962 3.768 50 0 HHAARO CC(C)(C)CC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072133931 558928758 /nfs/dbraw/zinc/92/87/58/558928758.db2.gz GJGLXIZJPXRDON-PKTZIBPZSA-N 1 0 407.558 3.895 50 0 HHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000058964800 558931156 /nfs/dbraw/zinc/93/11/56/558931156.db2.gz SJQVWOPKGHARHO-GOSISDBHSA-N 1 0 414.571 3.785 50 0 HHAARO COc1ccc(C(=O)NCCC[N@H+](C)CCCN(C)Cc2ccccc2)cc1Cl ZINC000059181915 558932291 /nfs/dbraw/zinc/93/22/91/558932291.db2.gz BDBYYNWZMMXJHX-UHFFFAOYSA-N 1 0 417.981 3.922 50 0 HHAARO CCn1c2ccccc2nc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000019607588 558946603 /nfs/dbraw/zinc/94/66/03/558946603.db2.gz QZJCZFHGECHCTA-JOCHJYFZSA-N 1 0 403.574 3.843 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915077 558971647 /nfs/dbraw/zinc/97/16/47/558971647.db2.gz VOYWHIUYUMJRRO-GOSISDBHSA-N 1 0 420.557 3.737 50 0 HHAARO CCNc1nc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc(C)[nH+]1 ZINC000065361784 558972347 /nfs/dbraw/zinc/97/23/47/558972347.db2.gz GSURDOJIJNEVQM-UHFFFAOYSA-N 1 0 408.428 3.590 50 0 HHAARO CN1CCN([C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c2cccs2)CC1 ZINC000022015919 558984319 /nfs/dbraw/zinc/98/43/19/558984319.db2.gz XAMWZOIISXTHFC-SFHVURJKSA-N 1 0 421.994 3.641 50 0 HHAARO COc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000067629538 558990259 /nfs/dbraw/zinc/99/02/59/558990259.db2.gz BKNIEAFLYCVBFP-UHFFFAOYSA-N 1 0 420.513 3.616 50 0 HHAARO CCCC1(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CCC1 ZINC000082097450 559037610 /nfs/dbraw/zinc/03/76/10/559037610.db2.gz CQHFJSHXNVEJPR-JOCHJYFZSA-N 1 0 412.622 3.845 50 0 HHAARO Cc1c2cc(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000082106899 559038323 /nfs/dbraw/zinc/03/83/23/559038323.db2.gz OOSNBQHZAURYTE-INIZCTEOSA-N 1 0 409.505 3.867 50 0 HHAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1c[nH]nc1C1CCCCC1)CC2 ZINC000091305706 559071125 /nfs/dbraw/zinc/07/11/25/559071125.db2.gz XLFIHJCSXVQMSL-UHFFFAOYSA-N 1 0 402.583 3.699 50 0 HHAARO C[NH+]1CCC(Cc2noc([C@@H]3CCC(=O)N(Cc4ccc(Cl)cc4)C3)n2)CC1 ZINC000091664298 559072837 /nfs/dbraw/zinc/07/28/37/559072837.db2.gz RUWGOYPUQVFEGO-QGZVFWFLSA-N 1 0 402.926 3.514 50 0 HHAARO Cc1cc(=O)cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000095530306 559086736 /nfs/dbraw/zinc/08/67/36/559086736.db2.gz VUCRVSURLPIADY-SFHVURJKSA-N 1 0 402.922 3.628 50 0 HHAARO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 ZINC000096137696 559095558 /nfs/dbraw/zinc/09/55/58/559095558.db2.gz CTXYOGYSEOQXCN-NRFANRHFSA-N 1 0 400.526 3.972 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000011561133 559101235 /nfs/dbraw/zinc/10/12/35/559101235.db2.gz BPLYRILTSVXKNI-QGZVFWFLSA-N 1 0 423.492 3.582 50 0 HHAARO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)c(C)c1 ZINC000100113800 559155356 /nfs/dbraw/zinc/15/53/56/559155356.db2.gz YRXRNQBKBMYHHM-OJNXCIKNSA-N 1 0 421.585 3.522 50 0 HHAARO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050033538 559178413 /nfs/dbraw/zinc/17/84/13/559178413.db2.gz IJVQQXZDUWCJLA-PKTZIBPZSA-N 1 0 416.512 3.602 50 0 HHAARO CC[C@H](C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1Cc2ccccc2C1=O ZINC000257198522 559189830 /nfs/dbraw/zinc/18/98/30/559189830.db2.gz BGJGYRYEEYYBGW-NEKRIBJYSA-N 1 0 411.590 3.780 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000004860742 559193071 /nfs/dbraw/zinc/19/30/71/559193071.db2.gz GWSSOODOEXHBJQ-RYUDHWBXSA-N 1 0 422.323 3.776 50 0 HHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000005093297 559244128 /nfs/dbraw/zinc/24/41/28/559244128.db2.gz ACTBIHRECOLKOM-FQEVSTJZSA-N 1 0 405.498 3.813 50 0 HHAARO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000409413303 559250522 /nfs/dbraw/zinc/25/05/22/559250522.db2.gz JTLPAQMATCDEIG-XLIONFOSSA-N 1 0 400.954 3.962 50 0 HHAARO Cc1ccc(CN(C(=O)c2ccco2)c2ccc(CC(=O)NCC[NH+](C)C)cc2)cc1 ZINC000037556469 559255168 /nfs/dbraw/zinc/25/51/68/559255168.db2.gz LBKLGOVTAXLHOR-UHFFFAOYSA-N 1 0 419.525 3.655 50 0 HHAARO Cc1ccc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)o1 ZINC000011821257 559260439 /nfs/dbraw/zinc/26/04/39/559260439.db2.gz WQMJYFMJUYMFSR-UHFFFAOYSA-N 1 0 405.498 3.956 50 0 HHAARO CCCN(Cc1cnc(S(=O)(=O)C(C)C)n1CCc1ccccc1)CC1CC1 ZINC000011819860 559260475 /nfs/dbraw/zinc/26/04/75/559260475.db2.gz FQTLWJJOWHDPCY-UHFFFAOYSA-N 1 0 403.592 3.930 50 0 HHAARO COc1ccc2[nH]c(C[NH+]3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)c(C)c2c1 ZINC000011844285 559261694 /nfs/dbraw/zinc/26/16/94/559261694.db2.gz FWAVOAPJCXICKG-FQEVSTJZSA-N 1 0 413.562 3.772 50 0 HHAARO O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012002828 559270734 /nfs/dbraw/zinc/27/07/34/559270734.db2.gz VAXIVGWIPSMWAR-QHCPKHFHSA-N 1 0 409.574 3.506 50 0 HHAARO Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2nc1CC[NH+]1CCCC1 ZINC000005204667 560539010 /nfs/dbraw/zinc/53/90/10/560539010.db2.gz CZAAQUGWDAQLHG-UHFFFAOYSA-N 1 0 418.950 3.666 50 0 HHAARO CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005253042 560551761 /nfs/dbraw/zinc/55/17/61/560551761.db2.gz CJWLXMRDVCKPIG-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO COc1ccc([N+]2=C3CCCCN3C[C@]2(O)c2ccc(Br)cc2)cc1 ZINC000001909250 560583835 /nfs/dbraw/zinc/58/38/35/560583835.db2.gz GVDGBNJEDBXBGW-FQEVSTJZSA-N 1 0 402.312 3.718 50 0 HHAARO CN(CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCCC1 ZINC000008726013 560637862 /nfs/dbraw/zinc/63/78/62/560637862.db2.gz CBMACVHGMJAQDC-UHFFFAOYSA-N 1 0 406.574 3.953 50 0 HHAARO O[C@@H](COc1ccc(Br)cc1Br)C[NH+]1CCCCCC1 ZINC000003156271 560750206 /nfs/dbraw/zinc/75/02/06/560750206.db2.gz JSOWXOLKDBLGMM-CYBMUJFWSA-N 1 0 407.146 3.827 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983672 560858891 /nfs/dbraw/zinc/85/88/91/560858891.db2.gz LPXHQSOXPKUHHD-LEWJYISDSA-N 1 0 420.912 3.872 50 0 HHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984256 560858942 /nfs/dbraw/zinc/85/89/42/560858942.db2.gz NTXHCBQLLQWMFO-XZOQPEGZSA-N 1 0 414.521 3.854 50 0 HHAARO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983931 560858948 /nfs/dbraw/zinc/85/89/48/560858948.db2.gz SDYDBWPPZLNUJY-ISKFKSNPSA-N 1 0 420.509 3.853 50 0 HHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982973 560859132 /nfs/dbraw/zinc/85/91/32/560859132.db2.gz RWTSNIIHWPDSRX-LEWJYISDSA-N 1 0 414.521 3.854 50 0 HHAARO COc1ccc([C@H]2[C@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@@H+]2C)cc1 ZINC000106914053 560894586 /nfs/dbraw/zinc/89/45/86/560894586.db2.gz UYCUZMNLVLTQNF-RXVVDRJESA-N 1 0 420.550 3.926 50 0 HHAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000108126537 560898045 /nfs/dbraw/zinc/89/80/45/560898045.db2.gz NQSUMJCNGCJJDJ-KPLVRAHFSA-N 1 0 407.624 3.538 50 0 HHAARO Cc1cccc(C[NH+]2CCC(NC(=O)Cc3cc(Cl)c4c(c3)OCCO4)CC2)c1 ZINC000048370769 568442223 /nfs/dbraw/zinc/44/22/23/568442223.db2.gz FTDGNCUIACDONL-UHFFFAOYSA-N 1 0 414.933 3.743 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000048373996 568442332 /nfs/dbraw/zinc/44/23/32/568442332.db2.gz ZCGYDLYJBSSASO-BGYRXZFFSA-N 1 0 407.558 3.553 50 0 HHAARO Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000048801177 568443375 /nfs/dbraw/zinc/44/33/75/568443375.db2.gz RNEROVAURPPJBQ-QFIPXVFZSA-N 1 0 406.574 3.785 50 0 HHAARO C[C@@H]([NH2+]CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000049592415 568452380 /nfs/dbraw/zinc/45/23/80/568452380.db2.gz XKESDFHYQUTMKU-CQSZACIVSA-N 1 0 406.935 3.670 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007015237 568468638 /nfs/dbraw/zinc/46/86/38/568468638.db2.gz ZEQJDDZUHBOUKY-SGGRRFJASA-N 1 0 400.563 3.652 50 0 HHAARO CCc1ccccc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1ccco1 ZINC000020107842 568588355 /nfs/dbraw/zinc/58/83/55/568588355.db2.gz HITQQRWPIDEQMT-UHFFFAOYSA-N 1 0 400.592 3.679 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095397902 568604621 /nfs/dbraw/zinc/60/46/21/568604621.db2.gz MJJZVCSKBBVBJO-IBGZPJMESA-N 1 0 411.502 3.682 50 0 HHAARO CN1CCO[C@H]([C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000095451749 568614849 /nfs/dbraw/zinc/61/48/49/568614849.db2.gz QBEFGYMOMNOSAB-FCHUYYIVSA-N 1 0 414.912 3.826 50 0 HHAARO O=C(c1ccc(C[S@@](=O)c2ccc(F)cc2)o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020515045 568622870 /nfs/dbraw/zinc/62/28/70/568622870.db2.gz ABYVSXRFJMOAQP-LJAQVGFWSA-N 1 0 418.534 3.817 50 0 HHAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000020677526 568639710 /nfs/dbraw/zinc/63/97/10/568639710.db2.gz WKZMOTMODQSAAX-UHFFFAOYSA-N 1 0 405.546 3.754 50 0 HHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3ccccc3)ccc21 ZINC000020677989 568639813 /nfs/dbraw/zinc/63/98/13/568639813.db2.gz WVUQGHHDBBXDIO-UHFFFAOYSA-N 1 0 405.546 3.836 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000020889955 568647654 /nfs/dbraw/zinc/64/76/54/568647654.db2.gz TYOBUSUQRPNPGW-UHFFFAOYSA-N 1 0 402.926 3.682 50 0 HHAARO CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670320 568662468 /nfs/dbraw/zinc/66/24/68/568662468.db2.gz QAUYCIZUAMLZSG-LJQANCHMSA-N 1 0 421.557 3.862 50 0 HHAARO COc1ccc2c(c1)[nH]c1c2ncn(CC[NH+]2CCC(Cc3ccccc3)CC2)c1=O ZINC000021167633 568675044 /nfs/dbraw/zinc/67/50/44/568675044.db2.gz UIFLJLJZKACUNR-UHFFFAOYSA-N 1 0 416.525 3.841 50 0 HHAARO C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)cn1 ZINC000225808086 568676197 /nfs/dbraw/zinc/67/61/97/568676197.db2.gz PQMFNIHTHDVGBW-JOCHJYFZSA-N 1 0 420.582 3.734 50 0 HHAARO C[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000095995763 568678929 /nfs/dbraw/zinc/67/89/29/568678929.db2.gz UBALRBIJMZKNPX-INIZCTEOSA-N 1 0 407.967 3.637 50 0 HHAARO COc1cc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)n(C)c2cc1OC ZINC000096117019 568696264 /nfs/dbraw/zinc/69/62/64/568696264.db2.gz XZFIGROPPDBEJI-UHFFFAOYSA-N 1 0 407.514 3.590 50 0 HHAARO CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000227309172 568703603 /nfs/dbraw/zinc/70/36/03/568703603.db2.gz DNLKODGNLMHUES-PLMTUMEDSA-N 1 0 401.869 3.899 50 0 HHAARO CCC[NH+]1CCN(C(=O)C[C@@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)CC1 ZINC000021530713 568710802 /nfs/dbraw/zinc/71/08/02/568710802.db2.gz ILNYNZHZPSMQSE-QHCPKHFHSA-N 1 0 405.542 3.636 50 0 HHAARO CCOC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C2CC[NH2+]CC2)cc1 ZINC000021531543 568711151 /nfs/dbraw/zinc/71/11/51/568711151.db2.gz VIWWMDUFGKQISH-UHFFFAOYSA-N 1 0 418.497 3.768 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2cc3ccccc3n2C[C@@]1(C)C(=O)NC1CCCCC1 ZINC000021855888 568754680 /nfs/dbraw/zinc/75/46/80/568754680.db2.gz IZOZRBMMVLNHEU-VWLOTQADSA-N 1 0 424.589 3.647 50 0 HHAARO O=C(NC[C@H]1CCCO1)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096490447 568754944 /nfs/dbraw/zinc/75/49/44/568754944.db2.gz WZTBMNHDPPAFKO-JOCHJYFZSA-N 1 0 413.949 3.571 50 0 HHAARO C[C@@H](CC[NH+](C)C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253609934 568755111 /nfs/dbraw/zinc/75/51/11/568755111.db2.gz HBDQZJAFAVGPSS-ATMIPSSFSA-N 1 0 407.639 3.536 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2nc(C)no2)cc1)[NH+]1CCCC1 ZINC000025267087 568761086 /nfs/dbraw/zinc/76/10/86/568761086.db2.gz PKTXXGARAXSCBT-HXUWFJFHSA-N 1 0 406.486 3.621 50 0 HHAARO Cc1ccc(Nc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021928885 568761548 /nfs/dbraw/zinc/76/15/48/568761548.db2.gz NWPMYBQJUPXHQM-UHFFFAOYSA-N 1 0 405.550 3.870 50 0 HHAARO COc1ccc(Nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021928724 568761639 /nfs/dbraw/zinc/76/16/39/568761639.db2.gz DXURBCRRXMKWQT-UHFFFAOYSA-N 1 0 421.549 3.570 50 0 HHAARO COc1cc2c(cc1OC)C(/C=C1\SC(OC(C)=O)=NN1c1ccccc1)=[NH+]CC2 ZINC000096580456 568762462 /nfs/dbraw/zinc/76/24/62/568762462.db2.gz HRNHZRZPMOQUDZ-BKUYFWCQSA-N 1 0 423.494 3.978 50 0 HHAARO OCC[NH+]1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c32)CC1 ZINC000025436716 568768979 /nfs/dbraw/zinc/76/89/79/568768979.db2.gz JXMKMWLYGSIWCA-UHFFFAOYSA-N 1 0 417.538 3.535 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3c(F)cccc3F)c(C)c2)CC1 ZINC000056170313 568790623 /nfs/dbraw/zinc/79/06/23/568790623.db2.gz MIBYCEMNQJYRSY-MRXNPFEDSA-N 1 0 402.489 3.854 50 0 HHAARO C[NH+](C)CCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261492021 568820413 /nfs/dbraw/zinc/82/04/13/568820413.db2.gz PPLLLWHATPHBKV-UHFFFAOYSA-N 1 0 404.345 3.951 50 0 HHAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000057378680 568830272 /nfs/dbraw/zinc/83/02/72/568830272.db2.gz IFVKGSUVXLKMSV-RTBURBONSA-N 1 0 407.558 3.976 50 0 HHAARO CC(C)C[NH+](CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)CC(C)C ZINC000003007779 568837492 /nfs/dbraw/zinc/83/74/92/568837492.db2.gz UUPRYXJLFJCOJQ-MRXNPFEDSA-N 1 0 411.949 3.562 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(C)cc3)cc2C)CC1 ZINC000057882727 568865523 /nfs/dbraw/zinc/86/55/23/568865523.db2.gz DIPWRHFORGJAOH-UHFFFAOYSA-N 1 0 410.562 3.988 50 0 HHAARO Cc1cc2c(C)nc(N3CCC([NH2+]C[C@@H](C)Oc4cccnc4)CC3)nc2cc1F ZINC000299762068 568873293 /nfs/dbraw/zinc/87/32/93/568873293.db2.gz VKBWWMVCRDJBHG-MRXNPFEDSA-N 1 0 409.509 3.807 50 0 HHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1sc(-n2cccc2)nc1C ZINC000263585676 568878740 /nfs/dbraw/zinc/87/87/40/568878740.db2.gz LGYOXWNKQJVQNI-RBUKOAKNSA-N 1 0 416.591 3.595 50 0 HHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H](CCSC)n1cccc1 ZINC000263586426 568879196 /nfs/dbraw/zinc/87/91/96/568879196.db2.gz UIJKCOXPFDVUFE-PWRODBHTSA-N 1 0 407.624 3.522 50 0 HHAARO Cc1ccc(-c2noc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000004034948 568879462 /nfs/dbraw/zinc/87/94/62/568879462.db2.gz ZUYQYWRFKRNDAV-UHFFFAOYSA-N 1 0 404.514 3.758 50 0 HHAARO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000031240764 568920520 /nfs/dbraw/zinc/92/05/20/568920520.db2.gz KPGAOTZNRJDYJF-UHFFFAOYSA-N 1 0 415.965 3.826 50 0 HHAARO CN(C(=O)Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000083855699 568920856 /nfs/dbraw/zinc/92/08/56/568920856.db2.gz LYCSYIHUJUOSFF-UHFFFAOYSA-N 1 0 421.463 3.688 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000015681643 568968097 /nfs/dbraw/zinc/96/80/97/568968097.db2.gz CKMVAMCFAFFNPL-QGZVFWFLSA-N 1 0 409.509 3.715 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)C1(N2CCOCC2)CCCCC1 ZINC000670467774 568975122 /nfs/dbraw/zinc/97/51/22/568975122.db2.gz KIOHSYQVWKEFPU-QHCPKHFHSA-N 1 0 413.606 3.755 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+](C)C)cc1 ZINC000012797620 568976397 /nfs/dbraw/zinc/97/63/97/568976397.db2.gz RGAMGITUBPYRQM-YADHBBJMSA-N 1 0 413.537 3.562 50 0 HHAARO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000015727569 568978741 /nfs/dbraw/zinc/97/87/41/568978741.db2.gz ISJNOSSZXKWVBR-UHFFFAOYSA-N 1 0 421.545 3.726 50 0 HHAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC[C@@H](C)[NH+]2CCCCCC2)n1 ZINC000015729691 568980376 /nfs/dbraw/zinc/98/03/76/568980376.db2.gz FLQYNOQZPBJGPU-QGZVFWFLSA-N 1 0 422.533 3.615 50 0 HHAARO C[C@H]([NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000008193152 568981777 /nfs/dbraw/zinc/98/17/77/568981777.db2.gz MLVXLWPQCTXYQK-PGRDOPGGSA-N 1 0 404.558 3.966 50 0 HHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000008272400 568986567 /nfs/dbraw/zinc/98/65/67/568986567.db2.gz BHXGBCUPNZHNAP-UHFFFAOYSA-N 1 0 411.571 3.513 50 0 HHAARO CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012818769 568990690 /nfs/dbraw/zinc/99/06/90/568990690.db2.gz BYTCSAIVCXLBRQ-JOCHJYFZSA-N 1 0 408.546 3.614 50 0 HHAARO O=C(NCC1CC[NH+](Cc2cccc(F)c2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772841 568998879 /nfs/dbraw/zinc/99/88/79/568998879.db2.gz SSLSWKRTTMPYCT-UHFFFAOYSA-N 1 0 418.516 3.956 50 0 HHAARO Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCC[NH+]3CCCC3)cc1CC2 ZINC000015781658 569002772 /nfs/dbraw/zinc/00/27/72/569002772.db2.gz WHCZJDWKGZMJSY-UHFFFAOYSA-N 1 0 406.555 3.833 50 0 HHAARO O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430040 569002866 /nfs/dbraw/zinc/00/28/66/569002866.db2.gz WUYLKIIAYLXRLA-UHFFFAOYSA-N 1 0 420.340 3.635 50 0 HHAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)cc(Cl)c1OC ZINC000104479933 569008796 /nfs/dbraw/zinc/00/87/96/569008796.db2.gz BTHCLNVNFNWBHX-HXUWFJFHSA-N 1 0 418.965 3.734 50 0 HHAARO COc1ccc(/C=C/CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@H](CCO)C2)cc1 ZINC000105281626 569009128 /nfs/dbraw/zinc/00/91/28/569009128.db2.gz OTXKROYQFNDYJJ-NVIZVJJSSA-N 1 0 410.558 3.594 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(C/C=C/c3ccccc3OC)C[C@H]2CCO)cc1 ZINC000105268638 569009143 /nfs/dbraw/zinc/00/91/43/569009143.db2.gz LNDUVYGXYZIAIR-AVAOGFIGSA-N 1 0 410.558 3.676 50 0 HHAARO Cc1ccc(NC(=O)N2CCC(CC(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000035399215 569035246 /nfs/dbraw/zinc/03/52/46/569035246.db2.gz NUEFHHMXVWJVNX-UHFFFAOYSA-N 1 0 400.567 3.621 50 0 HHAARO Cc1cc(C)cc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000035485499 569039763 /nfs/dbraw/zinc/03/97/63/569039763.db2.gz ZHLKNLWCDJKAOX-IMQCZEGASA-N 1 0 419.569 3.879 50 0 HHAARO CCn1cc([C@H](CC(=O)NCC[NH+](C)C)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000006713925 569041262 /nfs/dbraw/zinc/04/12/62/569041262.db2.gz YDDUSEZUBOBBBV-JOCHJYFZSA-N 1 0 423.557 3.878 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4onc5c4CCCC5)C3)C2)c1 ZINC000426374295 569072557 /nfs/dbraw/zinc/07/25/57/569072557.db2.gz PDODLUYRLKEKRO-DEOSSOPVSA-N 1 0 409.530 3.690 50 0 HHAARO O=C(c1ccc2n[nH]nc2c1)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426599508 569073608 /nfs/dbraw/zinc/07/36/08/569073608.db2.gz GBDKTBXCBIXLRO-XMMPIXPASA-N 1 0 403.530 3.519 50 0 HHAARO COc1ccc(C[N@H+](C[C@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 ZINC000036095287 569089860 /nfs/dbraw/zinc/08/98/60/569089860.db2.gz PAWORNMZZRBLRK-SIKLNZKXSA-N 1 0 405.922 3.770 50 0 HHAARO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036095943 569089967 /nfs/dbraw/zinc/08/99/67/569089967.db2.gz RAKXNOXHRSLQMM-LJQANCHMSA-N 1 0 423.937 3.636 50 0 HHAARO COc1cccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)c1OC ZINC000064761117 569091286 /nfs/dbraw/zinc/09/12/86/569091286.db2.gz ISYOKILMKSDTOB-UHFFFAOYSA-N 1 0 419.485 3.866 50 0 HHAARO COc1cccc(C[N@H+]2CC=C(C(=O)N3CCN(c4cc(C)ccc4C)CC3)CC2)c1 ZINC000064817990 569101222 /nfs/dbraw/zinc/10/12/22/569101222.db2.gz BMZHTNJWEHLGOG-UHFFFAOYSA-N 1 0 419.569 3.793 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000006738648 569105157 /nfs/dbraw/zinc/10/51/57/569105157.db2.gz SPUMVQOXQWGTFF-UHFFFAOYSA-N 1 0 421.541 3.851 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(-c3cccc(C)c3)ncn2)CC1 ZINC000064872643 569113711 /nfs/dbraw/zinc/11/37/11/569113711.db2.gz SPRFDBZQNYCJGP-UHFFFAOYSA-N 1 0 409.578 3.517 50 0 HHAARO CC(C)c1nc2ccc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC000064968382 569138056 /nfs/dbraw/zinc/13/80/56/569138056.db2.gz HXKHPWNRSGFWED-UHFFFAOYSA-N 1 0 420.557 3.889 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1 ZINC000006821272 569140504 /nfs/dbraw/zinc/14/05/04/569140504.db2.gz YUSSQFZNQATTJI-GOSISDBHSA-N 1 0 402.608 3.978 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344504 569142658 /nfs/dbraw/zinc/14/26/58/569142658.db2.gz DVYAOOUTMBEIQF-DEOSSOPVSA-N 1 0 422.548 3.758 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989190 569145912 /nfs/dbraw/zinc/14/59/12/569145912.db2.gz ISEFKLILZCHDTP-LJQANCHMSA-N 1 0 407.562 3.738 50 0 HHAARO O=C(NCCC[NH+]1CCCC1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 ZINC000006895863 569175749 /nfs/dbraw/zinc/17/57/49/569175749.db2.gz NKYMJHZKLXWFFI-HHHXNRCGSA-N 1 0 408.951 3.598 50 0 HHAARO O=C(NCCC[NH+]1CCCC1)c1ccc(C[S@](=O)Cc2ccccc2Cl)o1 ZINC000006895862 569175817 /nfs/dbraw/zinc/17/58/17/569175817.db2.gz NKYMJHZKLXWFFI-MHZLTWQESA-N 1 0 408.951 3.598 50 0 HHAARO C[C@H](NC(=O)C1CC[NH+](CCc2cn(C)c3ncccc23)CC1)c1ccc(F)cc1 ZINC000065164993 569189371 /nfs/dbraw/zinc/18/93/71/569189371.db2.gz KLLQSZIRPIUKRA-KRWDZBQOSA-N 1 0 408.521 3.844 50 0 HHAARO Cn1cc(CC[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c2cccnc21 ZINC000065164941 569189393 /nfs/dbraw/zinc/18/93/93/569189393.db2.gz DBERJLJLTCSHHU-UHFFFAOYSA-N 1 0 410.949 3.798 50 0 HHAARO CCCn1c(-c2cccc(C(=O)N3CC[NH+](CC(C)C)CC3)c2)nc2cccnc21 ZINC000065172851 569189948 /nfs/dbraw/zinc/18/99/48/569189948.db2.gz SYLYJRAAANWJHZ-UHFFFAOYSA-N 1 0 405.546 3.922 50 0 HHAARO COc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)cc1OC ZINC000065256254 569208196 /nfs/dbraw/zinc/20/81/96/569208196.db2.gz SLQKIHIQDWGXCK-HXUWFJFHSA-N 1 0 418.497 3.502 50 0 HHAARO CSc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)cc1 ZINC000065256034 569208237 /nfs/dbraw/zinc/20/82/37/569208237.db2.gz ARZSRPLGWXYXTH-QFIPXVFZSA-N 1 0 418.566 3.884 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065512510 569233238 /nfs/dbraw/zinc/23/32/38/569233238.db2.gz LRKYTJGKSXCYDT-PMACEKPBSA-N 1 0 413.512 3.820 50 0 HHAARO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170597465 569242086 /nfs/dbraw/zinc/24/20/86/569242086.db2.gz KIDNJHVEOHEFJF-NRFANRHFSA-N 1 0 417.594 3.906 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000170607281 569244493 /nfs/dbraw/zinc/24/44/93/569244493.db2.gz HAZYCDDSJJFPDZ-RTWAWAEBSA-N 1 0 418.545 3.527 50 0 HHAARO CC(C)CNC(=O)c1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000170611203 569245702 /nfs/dbraw/zinc/24/57/02/569245702.db2.gz XWTXJGZTAADVRN-UHFFFAOYSA-N 1 0 408.974 3.969 50 0 HHAARO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000089761624 569263536 /nfs/dbraw/zinc/26/35/36/569263536.db2.gz PUNHDKQWQBPEAM-MAUKXSAKSA-N 1 0 403.573 3.723 50 0 HHAARO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@@H]1COc2ccccc2C1 ZINC000089857885 569267194 /nfs/dbraw/zinc/26/71/94/569267194.db2.gz LAIVNCLZGAUMQY-SFHVURJKSA-N 1 0 414.933 3.551 50 0 HHAARO Cn1nc2nc(NCC[NH+]3CCCCC3)nc(-c3ccc(C(F)(F)F)cc3)c2c1N ZINC000037357924 569276245 /nfs/dbraw/zinc/27/62/45/569276245.db2.gz IWOHJQYMYSDGFP-UHFFFAOYSA-N 1 0 419.455 3.529 50 0 HHAARO C[NH+](C)C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000007817523 569312838 /nfs/dbraw/zinc/31/28/38/569312838.db2.gz POWMXYORZGMPOL-NRFANRHFSA-N 1 0 413.949 3.611 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002279228 569327947 /nfs/dbraw/zinc/32/79/47/569327947.db2.gz IIVIDDUDYYSMQA-VXGBXAGGSA-N 1 0 422.323 3.633 50 0 HHAARO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000253369601 569364792 /nfs/dbraw/zinc/36/47/92/569364792.db2.gz FLBPPPZJVZBPKC-DHIUTWEWSA-N 1 0 423.557 3.691 50 0 HHAARO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000253425774 569368221 /nfs/dbraw/zinc/36/82/21/569368221.db2.gz DTZVAFOCMYEDCG-FQEVSTJZSA-N 1 0 410.518 3.700 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000002311105 569373779 /nfs/dbraw/zinc/37/37/79/569373779.db2.gz LWNXKHZOARTHFU-GFCCVEGCSA-N 1 0 422.323 3.776 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000002418251 569397593 /nfs/dbraw/zinc/39/75/93/569397593.db2.gz PAKVMWRXCZGXBR-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3C)[nH]c(=O)c2C1 ZINC000067291816 571068124 /nfs/dbraw/zinc/06/81/24/571068124.db2.gz HLXAGCUPGYUVIO-UHFFFAOYSA-N 1 0 406.939 3.643 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)[NH+]2CCCC2)cc1 ZINC000008879357 571131123 /nfs/dbraw/zinc/13/11/23/571131123.db2.gz RTPVDTPQRNUXNP-QHCPKHFHSA-N 1 0 404.514 3.507 50 0 HHAARO O=C(NCCC1=CCCCC1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893219 571143138 /nfs/dbraw/zinc/14/31/38/571143138.db2.gz VFOIKTOLPIPINS-HXUWFJFHSA-N 1 0 403.592 3.788 50 0 HHAARO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C(c1ccccc1)c1ccccc1 ZINC000040062845 571147608 /nfs/dbraw/zinc/14/76/08/571147608.db2.gz YISROVWITLKXQC-UHFFFAOYSA-N 1 0 414.553 3.842 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000040104522 571165496 /nfs/dbraw/zinc/16/54/96/571165496.db2.gz VREWTGINNKBKGV-UHFFFAOYSA-N 1 0 414.525 3.900 50 0 HHAARO Cc1cc(NC(=O)CSCC(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)no1 ZINC000040115615 571173290 /nfs/dbraw/zinc/17/32/90/571173290.db2.gz JOHHMXWRWWUASS-OAHLLOKOSA-N 1 0 416.547 3.525 50 0 HHAARO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2I)CCCC1 ZINC000040121160 571177254 /nfs/dbraw/zinc/17/72/54/571177254.db2.gz ZVVDZUQMTMAMMU-UHFFFAOYSA-N 1 0 406.695 3.549 50 0 HHAARO COc1cccc([C@H](CNC(=O)Nc2cccc(-n3nc(C)cc3C)c2)[NH+](C)C)c1 ZINC000040138993 571188937 /nfs/dbraw/zinc/18/89/37/571188937.db2.gz PPRYRVQOUQRKAI-QFIPXVFZSA-N 1 0 407.518 3.922 50 0 HHAARO CCN1C[C@@H](CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)Oc2ccccc21 ZINC000040150362 571198800 /nfs/dbraw/zinc/19/88/00/571198800.db2.gz KAXPYYWCGNHXRO-JOCHJYFZSA-N 1 0 407.558 3.645 50 0 HHAARO COC(=O)c1oc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1C ZINC000040154522 571201690 /nfs/dbraw/zinc/20/16/90/571201690.db2.gz WKYNFBPMACUCCE-UHFFFAOYSA-N 1 0 406.866 3.584 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328880 571225388 /nfs/dbraw/zinc/22/53/88/571225388.db2.gz QNFNKYWEFPREMI-OFNKIYASSA-N 1 0 413.537 3.567 50 0 HHAARO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)C(C)C)cc1 ZINC000009517096 571265278 /nfs/dbraw/zinc/26/52/78/571265278.db2.gz KDGFIOQNZNVWRZ-JRFVFWCSSA-N 1 0 419.569 3.892 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(C)cc1 ZINC000010233197 571297708 /nfs/dbraw/zinc/29/77/08/571297708.db2.gz DTEAIQNYUULYBN-QFIPXVFZSA-N 1 0 420.509 3.997 50 0 HHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@@H](C)[NH+]3CCCC3)cc12 ZINC000071811795 571301978 /nfs/dbraw/zinc/30/19/78/571301978.db2.gz YBZZPHUVSGLOBQ-CQSZACIVSA-N 1 0 400.523 3.808 50 0 HHAARO CC(C)[C@H](CNC(=O)c1ccc(NC(=O)c2ccncc2)cc1)[NH+]1CCC(C)CC1 ZINC000071843122 571303078 /nfs/dbraw/zinc/30/30/78/571303078.db2.gz OWRDYJJNXPBPIR-QFIPXVFZSA-N 1 0 408.546 3.820 50 0 HHAARO O=C(Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1)Nc1ccc(F)cc1F ZINC000077200568 571313001 /nfs/dbraw/zinc/31/30/01/571313001.db2.gz ALQKQNWGQKHSLZ-UHFFFAOYSA-N 1 0 424.455 3.721 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)CC(C)C ZINC000078387955 571313430 /nfs/dbraw/zinc/31/34/30/571313430.db2.gz JXDSUGDMSFHCBR-IBGZPJMESA-N 1 0 423.548 3.690 50 0 HHAARO COC(=O)c1ccc(CN2CC[N@@H+]([C@@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 ZINC000011909245 962207146 /nfs/dbraw/zinc/20/71/46/962207146.db2.gz IYDGCZIUUHIJQP-IBGZPJMESA-N 1 0 424.541 3.537 50 0 HHAARO CCn1c(CN(Cc2ccncc2)CC2CC[NH+](CCOC)CC2)nc2ccccc21 ZINC000011936215 962209615 /nfs/dbraw/zinc/20/96/15/962209615.db2.gz UGNGSIFVAVIGHK-UHFFFAOYSA-N 1 0 421.589 3.812 50 0 HHAARO COCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000012054824 962229943 /nfs/dbraw/zinc/22/99/43/962229943.db2.gz WFYLTHKFLRXRSB-JOCHJYFZSA-N 1 0 404.457 3.833 50 0 HHAARO O=C1CCC2(CC[NH+](Cc3ccc4nsnc4c3)CC2)N1Cc1ccccc1F ZINC000012100242 962238403 /nfs/dbraw/zinc/23/84/03/962238403.db2.gz WGHHQZBXDSPWCV-UHFFFAOYSA-N 1 0 410.518 3.988 50 0 HHAARO O=C1NC(=O)[C@@](CCc2ccccc2)(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)N1 ZINC000012149212 962245903 /nfs/dbraw/zinc/24/59/03/962245903.db2.gz DSRAUTYFPBUNQO-RUZDIDTESA-N 1 0 416.525 3.591 50 0 HHAARO CC(C)CC[C@]1(C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)NC(=O)NC1=O ZINC000012209590 962253307 /nfs/dbraw/zinc/25/33/07/962253307.db2.gz FAFBKSGJHLLEPC-HSZRJFAPSA-N 1 0 401.551 3.700 50 0 HHAARO CSc1ccc(C[NH+]2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 ZINC000012244353 962257104 /nfs/dbraw/zinc/25/71/04/962257104.db2.gz LAPNXSBFDOUNRS-DEOSSOPVSA-N 1 0 423.582 3.832 50 0 HHAARO CCOC(=O)N1CCC([NH+]2CCC(c3n[nH]cc3CCc3ccccc3)CC2)CC1 ZINC000012242397 962257867 /nfs/dbraw/zinc/25/78/67/962257867.db2.gz MZGLCOKEZPCZMB-UHFFFAOYSA-N 1 0 410.562 3.995 50 0 HHAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH+]2CCCCC2)C4)c1 ZINC000012278907 962265425 /nfs/dbraw/zinc/26/54/25/962265425.db2.gz DKIDZKCPYLFBSU-QGZVFWFLSA-N 1 0 409.555 3.858 50 0 HHAARO Fc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463579 962283956 /nfs/dbraw/zinc/28/39/56/962283956.db2.gz QFZXDRNGHJGDHT-XMMPIXPASA-N 1 0 405.521 3.895 50 0 HHAARO O=C1CC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000014991514 962619006 /nfs/dbraw/zinc/61/90/06/962619006.db2.gz VMWLSQVDCYAHMB-FQEVSTJZSA-N 1 0 417.475 3.807 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000015078800 962651204 /nfs/dbraw/zinc/65/12/04/962651204.db2.gz UQELNZLKSSJIQV-HXUWFJFHSA-N 1 0 418.497 3.714 50 0 HHAARO COc1cc(OC)c(CN2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000019536581 963367380 /nfs/dbraw/zinc/36/73/80/963367380.db2.gz SBFHANNVEAYNQV-UHFFFAOYSA-N 1 0 405.336 3.784 50 0 HHAARO OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCN1Cc1ccccc1 ZINC000019757636 963374791 /nfs/dbraw/zinc/37/47/91/963374791.db2.gz VATDPBUZVCKQBB-JOCHJYFZSA-N 1 0 413.631 3.803 50 0 HHAARO C[N@@H+]1CC[C@@](C)(CNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 ZINC000020775089 963395154 /nfs/dbraw/zinc/39/51/54/963395154.db2.gz NCLXFORXVHNPKV-NRFANRHFSA-N 1 0 416.953 3.584 50 0 HHAARO Cc1cccc(C[NH2+][C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(CC(C)C)C2)c1 ZINC000023339563 963801944 /nfs/dbraw/zinc/80/19/44/963801944.db2.gz JOGXDLSUSBPOPW-VWNXMTODSA-N 1 0 411.565 3.682 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(NC(C)=O)cc3)c(C)c2)CC1 ZINC000026909578 964721374 /nfs/dbraw/zinc/72/13/74/964721374.db2.gz CVKKKZRVMDHOCS-KPKJPENVSA-N 1 0 406.530 3.747 50 0 HHAARO O=C(C1CC[NH+](C2CCN(Cc3ccc4cc(F)ccc4n3)CC2)CC1)N1CCCC1 ZINC000036385700 966431850 /nfs/dbraw/zinc/43/18/50/966431850.db2.gz UVAQHXDZXNMVIP-UHFFFAOYSA-N 1 0 424.564 3.673 50 0 HHAARO C[N@H+](CCCNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)Cc1ccccc1 ZINC000098004000 969184539 /nfs/dbraw/zinc/18/45/39/969184539.db2.gz SHVQWBGJQBZICG-YPKPFQOOSA-N 1 0 419.569 3.577 50 0 HHAARO COc1ccc(CN2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c(F)c1 ZINC000104460938 969201709 /nfs/dbraw/zinc/20/17/09/969201709.db2.gz XCFGTCMPOKXCJK-OVQSOENLSA-N 1 0 402.554 3.528 50 0 HHAARO Cc1c(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCCCC3)C2)cnn1C ZINC000169774379 970478365 /nfs/dbraw/zinc/47/83/65/970478365.db2.gz SHYTZDVPQMAVLJ-HXUWFJFHSA-N 1 0 410.562 3.646 50 0 HHAARO CCOc1ccccc1C[NH+]1CCC2(CC1)C[C@H](Cc1nc(COC)no1)CCO2 ZINC000169787355 970482114 /nfs/dbraw/zinc/48/21/14/970482114.db2.gz BEEJQDHXOQCMJR-SFHVURJKSA-N 1 0 415.534 3.619 50 0 HHAARO Cc1noc([C@@]23C[N@H+](CCc4ccccc4)C[C@@H]2CCN(CCc2ccccc2)C3)n1 ZINC000257188228 970622204 /nfs/dbraw/zinc/62/22/04/970622204.db2.gz DRZYGYKDJVITSL-AHWVRZQESA-N 1 0 416.569 3.739 50 0 HHAARO COCc1cn(C[C@H]2CCC[N@H+](Cc3cn(C(C)C)c4ccc(OC)cc34)C2)nn1 ZINC000257192201 970625016 /nfs/dbraw/zinc/62/50/16/970625016.db2.gz QIZVZYXMTFIVLB-SFHVURJKSA-N 1 0 411.550 3.881 50 0 HHAARO O=C(Cc1ccc(N2CCC([NH2+]CCc3ccccc3F)CC2)cc1)N1CCCC1 ZINC000299763991 970720629 /nfs/dbraw/zinc/72/06/29/970720629.db2.gz IMUUDXDBIQYGPQ-UHFFFAOYSA-N 1 0 409.549 3.792 50 0 HHAARO CCOc1ccc2nc(N3CCC([N@@H+]4CCC[C@H]4c4nonc4C)CC3)nc(C)c2c1 ZINC000299780499 970723361 /nfs/dbraw/zinc/72/33/61/970723361.db2.gz APRBHPGHYXUFNO-NRFANRHFSA-N 1 0 422.533 3.834 50 0 HHAARO COc1ccc([C@H]([NH2+]CC(=O)N2CCC(OCc3ccccc3)CC2)C2CC2)cc1 ZINC000540592535 1011249882 /nfs/dbraw/zinc/24/98/82/1011249882.db2.gz PKLIIQNWNBNZPW-RUZDIDTESA-N 1 0 408.542 3.944 50 0 HHAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000004917850 132294250 /nfs/dbraw/zinc/29/42/50/132294250.db2.gz GDYYOZDPDCUPME-IRXDYDNUSA-N 1 0 412.530 3.839 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000006785784 132316447 /nfs/dbraw/zinc/31/64/47/132316447.db2.gz BQHFBBUTFMAHDX-UHFFFAOYSA-N 1 0 416.953 3.991 50 0 HHAARO O=C(Nc1ccccc1Cl)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697985 132350012 /nfs/dbraw/zinc/35/00/12/132350012.db2.gz IQEOGHHEYCVRNG-UHFFFAOYSA-N 1 0 409.881 3.623 50 0 HHAARO CC[NH+](CC)[C@@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccccc1 ZINC000032624542 520839802 /nfs/dbraw/zinc/83/98/02/520839802.db2.gz BKCQFXAIASCRGX-AWEZNQCLSA-N 1 0 414.556 3.585 50 0 HHAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000032951842 520999983 /nfs/dbraw/zinc/99/99/83/520999983.db2.gz HGWOUORCVRQQSI-UHFFFAOYSA-N 1 0 404.498 3.838 50 0 HHAARO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000044851764 523934354 /nfs/dbraw/zinc/93/43/54/523934354.db2.gz QQHBJESKQUWFEA-UHFFFAOYSA-N 1 0 414.521 3.804 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032905341 523941360 /nfs/dbraw/zinc/94/13/60/523941360.db2.gz HLVSBLDJJHWHFA-QGZVFWFLSA-N 1 0 413.518 3.532 50 0 HHAARO Cc1cccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020599109 524408657 /nfs/dbraw/zinc/40/86/57/524408657.db2.gz OFRZCWUFJFPXLL-HXUWFJFHSA-N 1 0 421.545 3.755 50 0 HHAARO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](C[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000043494843 525061097 /nfs/dbraw/zinc/06/10/97/525061097.db2.gz UJROFVZGGBHNRR-REWPJTCUSA-N 1 0 410.562 3.628 50 0 HHAARO COc1ccc([C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000245228126 525360874 /nfs/dbraw/zinc/36/08/74/525360874.db2.gz FWCOYFNNVFSUMQ-RZFJZAQRSA-N 1 0 424.585 3.877 50 0 HHAARO CSc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000043941118 526165852 /nfs/dbraw/zinc/16/58/52/526165852.db2.gz PDOQVEVXDGOUKR-UHFFFAOYSA-N 1 0 415.559 3.585 50 0 HHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000043000163 526256482 /nfs/dbraw/zinc/25/64/82/526256482.db2.gz CIAVUDHLEUWCPN-XMMPIXPASA-N 1 0 418.585 3.805 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899698 526579019 /nfs/dbraw/zinc/57/90/19/526579019.db2.gz OANSZYURNYWIGX-JTHBVZDNSA-N 1 0 423.532 3.631 50 0 HHAARO O=C(Nc1ccc(Br)cc1Br)NC1CC[NH+](C2CC2)CC1 ZINC000043317007 527158184 /nfs/dbraw/zinc/15/81/84/527158184.db2.gz JGYIHMDWRGAGRE-UHFFFAOYSA-N 1 0 417.145 3.960 50 0 HHAARO CC(C)C[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1 ZINC000011998166 535105284 /nfs/dbraw/zinc/10/52/84/535105284.db2.gz ZDXQBRRGANCBSO-UHFFFAOYSA-N 1 0 411.933 3.914 50 0 HHAARO COc1ccc2c(C)nc(N3CCC([NH2+]C[C@H]4CCc5ccccc5O4)CC3)nc2c1 ZINC000011839639 536963392 /nfs/dbraw/zinc/96/33/92/536963392.db2.gz JFEZIGUTIICEFR-OAQYLSRUSA-N 1 0 418.541 3.899 50 0 HHAARO CCOc1ccc([C@@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000000845917 557099586 /nfs/dbraw/zinc/09/95/86/557099586.db2.gz MKHUUMRWZZFAQU-QHCPKHFHSA-N 1 0 408.546 3.540 50 0 HHAARO COc1cc(OC)cc(-c2onc(C)c2C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000022634085 557300065 /nfs/dbraw/zinc/30/00/65/557300065.db2.gz NFFGMCMZKPJIEI-OAHLLOKOSA-N 1 0 401.507 3.662 50 0 HHAARO CCCC[NH2+]Cc1cc(Br)c(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000002177953 557322364 /nfs/dbraw/zinc/32/23/64/557322364.db2.gz IAYAMJNDXXRSOI-UHFFFAOYSA-N 1 0 401.345 3.641 50 0 HHAARO O=C(C1CC1)N1C[C@@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698397 557380999 /nfs/dbraw/zinc/38/09/99/557380999.db2.gz CGNJPKMWWWMXMP-ZJSXRUAMSA-N 1 0 407.533 3.600 50 0 HHAARO C[NH+](C)CCCNC(=O)c1c(F)cccc1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000003128801 557449134 /nfs/dbraw/zinc/44/91/34/557449134.db2.gz OVJOJADPSOIOGM-UHFFFAOYSA-N 1 0 411.399 3.778 50 0 HHAARO O=C(NCC[NH+]1CCCC1)[C@@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906691 557473794 /nfs/dbraw/zinc/47/37/94/557473794.db2.gz XUFQJCOYFNGHRY-LJQANCHMSA-N 1 0 409.578 3.580 50 0 HHAARO Cc1ccccc1-n1nc(C(=O)N2CCC([NH+](C)C)CC2)nc1CCc1ccccc1 ZINC000034911940 557478436 /nfs/dbraw/zinc/47/84/36/557478436.db2.gz XQAKCEATCSZKME-UHFFFAOYSA-N 1 0 417.557 3.527 50 0 HHAARO CC[NH+](CC)CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1 ZINC000002677404 557739751 /nfs/dbraw/zinc/73/97/51/557739751.db2.gz JASBTVPFRWFJKZ-PGMHBOJBSA-N 1 0 413.949 3.877 50 0 HHAARO COc1cc(C[NH2+]Cc2cccs2)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540361 557746019 /nfs/dbraw/zinc/74/60/19/557746019.db2.gz YLHCQBSPNGUBMW-UHFFFAOYSA-N 1 0 421.526 3.910 50 0 HHAARO CCOc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000002966393 557777817 /nfs/dbraw/zinc/77/78/17/557777817.db2.gz FHPUFHXFUIZRSA-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO COc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccc(Br)cc3)C2)cc1 ZINC000002966340 557777838 /nfs/dbraw/zinc/77/78/38/557777838.db2.gz IQAJXBOMJNIWSQ-HXUWFJFHSA-N 1 0 402.312 3.718 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)NC[C@@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766997 557815044 /nfs/dbraw/zinc/81/50/44/557815044.db2.gz GNRNRYHVLMQTHR-KRWDZBQOSA-N 1 0 408.955 3.520 50 0 HHAARO COc1ccc(-n2cc(C[N@H+](C)C[C@@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661376 558265281 /nfs/dbraw/zinc/26/52/81/558265281.db2.gz TUIFMNBMCWMSSX-JOCHJYFZSA-N 1 0 411.477 3.534 50 0 HHAARO C[NH+](C)[C@H]1CCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 ZINC000011753658 558272573 /nfs/dbraw/zinc/27/25/73/558272573.db2.gz GCUWPQFDUKLSGJ-AWEZNQCLSA-N 1 0 408.449 3.858 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000011759666 558273151 /nfs/dbraw/zinc/27/31/51/558273151.db2.gz ZDOMLHDYGWJZOU-XMMPIXPASA-N 1 0 417.557 3.868 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011843688 558288511 /nfs/dbraw/zinc/28/85/11/558288511.db2.gz WZHHYVUZZVLARD-QHCPKHFHSA-N 1 0 403.494 3.669 50 0 HHAARO COc1cc(OC)c(OC)cc1CN1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000019831698 558291753 /nfs/dbraw/zinc/29/17/53/558291753.db2.gz NEZQAOXFDPNXNT-UHFFFAOYSA-N 1 0 400.563 3.655 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000019842053 558294264 /nfs/dbraw/zinc/29/42/64/558294264.db2.gz UNWXPWPWYIOSRQ-NRFANRHFSA-N 1 0 401.501 3.760 50 0 HHAARO O=C(Cc1ccsc1)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011881286 558295030 /nfs/dbraw/zinc/29/50/30/558295030.db2.gz JMBYWMXXZOBRTK-IBGZPJMESA-N 1 0 402.535 3.760 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000011934118 558298710 /nfs/dbraw/zinc/29/87/10/558298710.db2.gz ZAGAYOJZYQAPMC-QFIPXVFZSA-N 1 0 403.906 3.895 50 0 HHAARO C[NH+]1CCC(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)(c2ccccc2)CC1 ZINC000011954600 558303350 /nfs/dbraw/zinc/30/33/50/558303350.db2.gz VUOVPTGPSWPJRB-QFIPXVFZSA-N 1 0 409.549 3.570 50 0 HHAARO Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CC[NH+](C2CCSCC2)CC3)cc1 ZINC000011996062 558306590 /nfs/dbraw/zinc/30/65/90/558306590.db2.gz ZGXDDSMWHVNZLH-NRFANRHFSA-N 1 0 402.604 3.830 50 0 HHAARO C[C@H](NC(=O)CC[N@H+]1Cc2ccccc2O[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000012028129 558310372 /nfs/dbraw/zinc/31/03/72/558310372.db2.gz LEVBHEHWBXAUTO-MOPGFXCFSA-N 1 0 404.514 3.723 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012037961 558312405 /nfs/dbraw/zinc/31/24/05/558312405.db2.gz DJCLUIPQOMNOFA-INIZCTEOSA-N 1 0 410.543 3.679 50 0 HHAARO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3ccc(OC)c(O)c3)CC2)[C@H]1OC ZINC000012053499 558314897 /nfs/dbraw/zinc/31/48/97/558314897.db2.gz SOEJSBUSRGXDOP-RPWUZVMVSA-N 1 0 424.541 3.531 50 0 HHAARO Cc1ccc(-n2cc(C[NH2+]CCSc3nncn3C)c(-c3ccc(F)cc3)n2)cc1 ZINC000012056333 558315853 /nfs/dbraw/zinc/31/58/53/558315853.db2.gz ZDOPDUAKKOSSDJ-UHFFFAOYSA-N 1 0 422.533 3.997 50 0 HHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 ZINC000012058632 558316830 /nfs/dbraw/zinc/31/68/30/558316830.db2.gz CWSRJSIHKQQKIE-RUZDIDTESA-N 1 0 411.590 3.637 50 0 HHAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)cn1 ZINC000012073619 558318467 /nfs/dbraw/zinc/31/84/67/558318467.db2.gz YXPSASLCGKFMHP-UHFFFAOYSA-N 1 0 410.547 3.581 50 0 HHAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012074076 558318946 /nfs/dbraw/zinc/31/89/46/558318946.db2.gz XUDIKEJMTAXSHT-OAQYLSRUSA-N 1 0 402.498 3.926 50 0 HHAARO COc1ccc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]24)c(OC)c1OC ZINC000012112032 558326379 /nfs/dbraw/zinc/32/63/79/558326379.db2.gz RTVCQUTZMWCGFS-UXSWERMXSA-N 1 0 408.498 3.655 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117833 558336807 /nfs/dbraw/zinc/33/68/07/558336807.db2.gz QLFGVQRIYTUAGX-HSZRJFAPSA-N 1 0 407.558 3.568 50 0 HHAARO CCC[NH+]1CCN(C(=O)Cn2c(C)c(C(=O)OCC)c(C)c2-c2ccccc2)CC1 ZINC000020356093 558357168 /nfs/dbraw/zinc/35/71/68/558357168.db2.gz HMLHBJKITOEJMX-UHFFFAOYSA-N 1 0 411.546 3.503 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC(=O)N(Cc3cccc(C)c3)CC2)cc1 ZINC000012246451 558361611 /nfs/dbraw/zinc/36/16/11/558361611.db2.gz NLFNUAYWIHJGHM-UHFFFAOYSA-N 1 0 404.514 3.628 50 0 HHAARO COc1cc(-c2nc(C[N@@H+]3CCCC[C@H]3CCN3CCOCC3)c(C)o2)ccc1F ZINC000020452191 558366344 /nfs/dbraw/zinc/36/63/44/558366344.db2.gz FCPCYMRLYAZMKP-IBGZPJMESA-N 1 0 417.525 3.875 50 0 HHAARO COc1cc(C(=O)N2CCC[C@@H](OC)C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012298994 558369065 /nfs/dbraw/zinc/36/90/65/558369065.db2.gz ZMQZCACVERGILD-OAQYLSRUSA-N 1 0 416.562 3.732 50 0 HHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CNC(=O)c2[nH]nc3ccccc32)C1 ZINC000012316991 558380205 /nfs/dbraw/zinc/38/02/05/558380205.db2.gz NGSVQXLDIUZZGZ-HKMNZKMDSA-N 1 0 404.514 3.727 50 0 HHAARO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534143 558385617 /nfs/dbraw/zinc/38/56/17/558385617.db2.gz YFPTWHYSRQMSGA-HXUWFJFHSA-N 1 0 411.937 3.663 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)cc(Cl)c1O ZINC000012373205 558390643 /nfs/dbraw/zinc/39/06/43/558390643.db2.gz LXXJMZCPDFQMNN-CQSZACIVSA-N 1 0 406.885 3.835 50 0 HHAARO CC[NH+](CC)CC(=O)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1 ZINC000012373136 558390664 /nfs/dbraw/zinc/39/06/64/558390664.db2.gz RFPGYQCDLSVDRB-UHFFFAOYSA-N 1 0 405.542 3.583 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)Cn2ccc(C)n2)CC1 ZINC000012386543 558395378 /nfs/dbraw/zinc/39/53/78/558395378.db2.gz JSYVDGAGBZEQPI-UHFFFAOYSA-N 1 0 412.578 3.597 50 0 HHAARO Cc1nn(C)cc1C[NH+]1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1 ZINC000012387398 558396158 /nfs/dbraw/zinc/39/61/58/558396158.db2.gz PABIAUACTIVGRQ-UHFFFAOYSA-N 1 0 420.561 3.724 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CSc1ccncc1 ZINC000012434833 558408569 /nfs/dbraw/zinc/40/85/69/558408569.db2.gz XAMNLKDTWJCFAK-UHFFFAOYSA-N 1 0 401.551 3.726 50 0 HHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 ZINC000012588182 558434929 /nfs/dbraw/zinc/43/49/29/558434929.db2.gz HGZSBEBWQAVVOI-KRWDZBQOSA-N 1 0 413.518 3.502 50 0 HHAARO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000021795213 558449593 /nfs/dbraw/zinc/44/95/93/558449593.db2.gz SJYAAPPAOFZVPA-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)OC)cc3)sc2c1 ZINC000004359211 558449890 /nfs/dbraw/zinc/44/98/90/558449890.db2.gz LSJOBVQUCQDJJI-UHFFFAOYSA-N 1 0 411.527 3.854 50 0 HHAARO C[NH+](C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(cccc2Cl)s1 ZINC000004359322 558451025 /nfs/dbraw/zinc/45/10/25/558451025.db2.gz ACCWCRUOHGJUFV-UHFFFAOYSA-N 1 0 417.918 3.929 50 0 HHAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)nc2c(C)c1 ZINC000004359394 558451584 /nfs/dbraw/zinc/45/15/84/558451584.db2.gz QKLLJECTIYCPLW-SFHVURJKSA-N 1 0 411.527 3.648 50 0 HHAARO Cc1c([C@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc(F)cc1F ZINC000012710364 558451927 /nfs/dbraw/zinc/45/19/27/558451927.db2.gz XMYNVEZUZWBZJH-AWEZNQCLSA-N 1 0 411.456 3.839 50 0 HHAARO Cc1cc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c(=O)[nH]1 ZINC000012712675 558453496 /nfs/dbraw/zinc/45/34/96/558453496.db2.gz ZBCUHANVBOGLOF-VWLOTQADSA-N 1 0 407.558 3.553 50 0 HHAARO CC(=O)N1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000012714079 558454342 /nfs/dbraw/zinc/45/43/42/558454342.db2.gz UJQCWYGHRSOCJR-DEOSSOPVSA-N 1 0 403.611 3.530 50 0 HHAARO COCc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000012717760 558455725 /nfs/dbraw/zinc/45/57/25/558455725.db2.gz ASKWYPXFBXZFND-IBGZPJMESA-N 1 0 413.514 3.954 50 0 HHAARO COCCN(Cc1cccc2c1OCO2)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012747814 558458685 /nfs/dbraw/zinc/45/86/85/558458685.db2.gz URWOTCHWTXYHFU-HXUWFJFHSA-N 1 0 422.569 3.743 50 0 HHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cccnc2SC)CC1 ZINC000012752223 558459383 /nfs/dbraw/zinc/45/93/83/558459383.db2.gz QMQCYRQQPPEINB-UHFFFAOYSA-N 1 0 413.587 3.839 50 0 HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000005610778 558484921 /nfs/dbraw/zinc/48/49/21/558484921.db2.gz GDBXKKDQHWDTFN-UHFFFAOYSA-N 1 0 407.558 3.646 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012975451 558491005 /nfs/dbraw/zinc/49/10/05/558491005.db2.gz YKCILLURJAUZGZ-NHCUHLMSSA-N 1 0 409.555 3.965 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012975453 558491029 /nfs/dbraw/zinc/49/10/29/558491029.db2.gz YKCILLURJAUZGZ-SFTDATJTSA-N 1 0 409.555 3.965 50 0 HHAARO C[C@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681445 558504343 /nfs/dbraw/zinc/50/43/43/558504343.db2.gz ZCKYHIMSUCITGF-QUCCMNQESA-N 1 0 413.587 3.846 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(SC)c3)C[C@@H]2CCO)cc1C ZINC000022852439 558517134 /nfs/dbraw/zinc/51/71/34/558517134.db2.gz LRRUWWLUROCTBF-NRFANRHFSA-N 1 0 400.588 3.794 50 0 HHAARO Cc1nc2sccn2c1CN1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000022913822 558520864 /nfs/dbraw/zinc/52/08/64/558520864.db2.gz INBJZXFSTMIDRY-FQEVSTJZSA-N 1 0 409.603 3.799 50 0 HHAARO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CCN1C[C@@H](O)c1ccc(Cl)cc1 ZINC000022931783 558524414 /nfs/dbraw/zinc/52/44/14/558524414.db2.gz SOSJSQXPSSZICL-IPHXSNPTSA-N 1 0 409.357 3.767 50 0 HHAARO Cc1ccc(-c2cc(NC(=O)CN3CCC[N@H+](Cc4ccccc4)CC3)on2)cc1 ZINC000023043471 558531690 /nfs/dbraw/zinc/53/16/90/558531690.db2.gz PNEOULYHRYPHIE-UHFFFAOYSA-N 1 0 404.514 3.796 50 0 HHAARO OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@@H+]1C1CCCCC1 ZINC000023358109 558551404 /nfs/dbraw/zinc/55/14/04/558551404.db2.gz QWEXDTVSFOLJSD-FQEVSTJZSA-N 1 0 402.970 3.727 50 0 HHAARO O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000013644670 558556211 /nfs/dbraw/zinc/55/62/11/558556211.db2.gz RAPUXRKISQDNHN-MRXNPFEDSA-N 1 0 416.312 3.623 50 0 HHAARO Cc1cccc(C(=O)N[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C(C)C)c1 ZINC000024189720 558591447 /nfs/dbraw/zinc/59/14/47/558591447.db2.gz OKJMABCYYFREQV-QHCPKHFHSA-N 1 0 407.558 3.662 50 0 HHAARO Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000014023092 558614500 /nfs/dbraw/zinc/61/45/00/558614500.db2.gz AJDZQTFZBGVRNG-UHFFFAOYSA-N 1 0 421.570 3.733 50 0 HHAARO COc1cc(OC)c(OC)c2[nH]c(C(=O)N[C@H]3CC[N@@H+](C4CCCCCC4)C3)cc21 ZINC000072230574 558619044 /nfs/dbraw/zinc/61/90/44/558619044.db2.gz GZFKIXOJZQIDPW-HNNXBMFYSA-N 1 0 415.534 3.721 50 0 HHAARO CCc1ccc([C@H]([NH2+]CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1 ZINC000014167832 558626943 /nfs/dbraw/zinc/62/69/43/558626943.db2.gz NUIVMNOPKNFGCR-XMMPIXPASA-N 1 0 411.546 3.608 50 0 HHAARO COCCNC(=O)C1CC[NH+]([C@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000025047114 558628286 /nfs/dbraw/zinc/62/82/86/558628286.db2.gz FSWTYUUOSAHRHK-QHCPKHFHSA-N 1 0 419.525 3.567 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000014184594 558630038 /nfs/dbraw/zinc/63/00/38/558630038.db2.gz ACBHBWUUWJSKDE-IBGZPJMESA-N 1 0 420.479 3.736 50 0 HHAARO CSc1ncc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000025332076 558638700 /nfs/dbraw/zinc/63/87/00/558638700.db2.gz BZKVJSZQOYUECR-INIZCTEOSA-N 1 0 404.536 3.828 50 0 HHAARO COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CC[NH+](CC(C)C)CC3)cc1 ZINC000014731496 558665493 /nfs/dbraw/zinc/66/54/93/558665493.db2.gz KATBYWJRABIXMB-UHFFFAOYSA-N 1 0 415.578 3.649 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014733157 558666073 /nfs/dbraw/zinc/66/60/73/558666073.db2.gz ARIKZDATTKTTEK-LJQANCHMSA-N 1 0 410.562 3.575 50 0 HHAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccc(OC)c3)CC2)C1=O ZINC000014740942 558666998 /nfs/dbraw/zinc/66/69/98/558666998.db2.gz OJZDISCITNRCSU-UHFFFAOYSA-N 1 0 421.541 3.557 50 0 HHAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014746116 558669122 /nfs/dbraw/zinc/66/91/22/558669122.db2.gz HJGCOOVVKNONDQ-UXHICEINSA-N 1 0 409.505 3.525 50 0 HHAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1 ZINC000014748968 558670212 /nfs/dbraw/zinc/67/02/12/558670212.db2.gz GZIZGCBMGKEJHQ-LJQANCHMSA-N 1 0 417.619 3.735 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750636 558670875 /nfs/dbraw/zinc/67/08/75/558670875.db2.gz BEGZQFDSXPYPFH-LJQANCHMSA-N 1 0 415.578 3.791 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc3ccccc31)C(=O)N2CCOC ZINC000014754675 558671699 /nfs/dbraw/zinc/67/16/99/558671699.db2.gz XXCXDUZZRGBXQW-LJQANCHMSA-N 1 0 423.557 3.884 50 0 HHAARO O=c1[nH]c2ccc([S@@](=O)CC[NH+]3CCC(Cc4ccc(F)cc4)CC3)cc2o1 ZINC000027299440 558671836 /nfs/dbraw/zinc/67/18/36/558671836.db2.gz FCBQJNCAKZSIAH-MUUNZHRXSA-N 1 0 402.491 3.735 50 0 in-man HHAARO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027577949 558675493 /nfs/dbraw/zinc/67/54/93/558675493.db2.gz RKHFLRYXEAHSPN-SFHVURJKSA-N 1 0 415.965 3.844 50 0 HHAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1 ZINC000014882298 558676477 /nfs/dbraw/zinc/67/64/77/558676477.db2.gz MUDAPYIUTYQDKX-UHFFFAOYSA-N 1 0 423.605 3.699 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cc4ccccc4s3)CC2)O1)[C@H]1CCCO1 ZINC000014885325 558677430 /nfs/dbraw/zinc/67/74/30/558677430.db2.gz BADJWAMMQULYHB-AZUAARDMSA-N 1 0 414.571 3.710 50 0 HHAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014964122 558685156 /nfs/dbraw/zinc/68/51/56/558685156.db2.gz LFEYNHGUMDTGQU-QHCPKHFHSA-N 1 0 401.510 3.814 50 0 HHAARO O=C(c1ccco1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014971937 558687515 /nfs/dbraw/zinc/68/75/15/558687515.db2.gz VOOUQPCFSUTYQC-HSZRJFAPSA-N 1 0 408.542 3.780 50 0 HHAARO CCCOc1cccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)c1 ZINC000028287965 558694869 /nfs/dbraw/zinc/69/48/69/558694869.db2.gz PJBYHSNEMNHXND-QFIPXVFZSA-N 1 0 415.965 3.847 50 0 HHAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1 ZINC000014993512 558695244 /nfs/dbraw/zinc/69/52/44/558695244.db2.gz KOYGLJGVSMRCAA-GOSISDBHSA-N 1 0 400.906 3.782 50 0 HHAARO Cc1cc(C[NH2+][C@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 ZINC000014998353 558696835 /nfs/dbraw/zinc/69/68/35/558696835.db2.gz GRVSHRHBDCZMCJ-KRWDZBQOSA-N 1 0 420.538 3.644 50 0 HHAARO CC(=O)N1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000015066028 558708879 /nfs/dbraw/zinc/70/88/79/558708879.db2.gz WOVDJJPYKXVHMN-UHFFFAOYSA-N 1 0 400.526 3.707 50 0 HHAARO O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015074203 558715035 /nfs/dbraw/zinc/71/50/35/558715035.db2.gz XIFPQWJVHHULAQ-MRXNPFEDSA-N 1 0 408.477 3.606 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC(OC)CC2)c1 ZINC000015074788 558715281 /nfs/dbraw/zinc/71/52/81/558715281.db2.gz DWPPNMRISWSPAF-UHFFFAOYSA-N 1 0 416.562 3.732 50 0 HHAARO Cc1ccc(-c2noc(CCC[NH+]3CCN(c4ncnc5ccccc54)CC3)n2)cc1 ZINC000029585845 558717314 /nfs/dbraw/zinc/71/73/14/558717314.db2.gz NEHXSLYGXJHFFP-UHFFFAOYSA-N 1 0 414.513 3.743 50 0 HHAARO COc1cc(C[NH2+]C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(SC)cc1OC ZINC000072294570 558742677 /nfs/dbraw/zinc/74/26/77/558742677.db2.gz GUOKYGKUIASUDW-KRWDZBQOSA-N 1 0 415.559 3.543 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H]3CCC[N@@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972531 558764556 /nfs/dbraw/zinc/76/45/56/558764556.db2.gz YVUFEZLYZUOAFD-VWQFJMCTSA-N 1 0 405.498 3.582 50 0 HHAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146227 558798135 /nfs/dbraw/zinc/79/81/35/558798135.db2.gz KWSJNFCNEDZEJS-UXHICEINSA-N 1 0 400.494 3.607 50 0 HHAARO CCCc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000017082554 558814725 /nfs/dbraw/zinc/81/47/25/558814725.db2.gz YROGWDDLISWFKY-UHFFFAOYSA-N 1 0 402.604 3.914 50 0 HHAARO O=C(Nc1ccc2c(c1)OCCO2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000017082663 558814842 /nfs/dbraw/zinc/81/48/42/558814842.db2.gz LUVDUAIPXHXOEI-UHFFFAOYSA-N 1 0 403.482 3.961 50 0 HHAARO COc1ccc(-c2nc(C[NH+]3CCC(CN4CCCC4=O)CC3)c(C)o2)c(OC)c1 ZINC000039393498 558820881 /nfs/dbraw/zinc/82/08/81/558820881.db2.gz MAAKYWAKNNRWQE-UHFFFAOYSA-N 1 0 413.518 3.502 50 0 HHAARO Cc1nn(C)cc1[C@H](C)NC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039461407 558821441 /nfs/dbraw/zinc/82/14/41/558821441.db2.gz QPZQNCUZKRYCRZ-SFHVURJKSA-N 1 0 402.542 3.575 50 0 HHAARO CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000039479096 558821652 /nfs/dbraw/zinc/82/16/52/558821652.db2.gz CMSJZCMXSZDGJF-FQEVSTJZSA-N 1 0 403.526 3.697 50 0 HHAARO O=C1C2CC(CN2C2CC[NH+](CCc3ccccc3)CC2)N1c1ccccc1Cl ZINC000019300051 558866172 /nfs/dbraw/zinc/86/61/72/558866172.db2.gz MJOCJYDSXXOABU-REWPJTCUSA-N 1 0 409.961 3.837 50 0 HHAARO COCCN(Cc1ccc(OC)c(O)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055134218 558873697 /nfs/dbraw/zinc/87/36/97/558873697.db2.gz UMRVEJRCPIIURT-NRFANRHFSA-N 1 0 424.585 3.729 50 0 HHAARO CCN(Cc1cnc(SC)nc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055198421 558875773 /nfs/dbraw/zinc/87/57/73/558875773.db2.gz CHPMRIPEFGFRQZ-FQEVSTJZSA-N 1 0 414.619 3.984 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccccc4C)c(C)c32)CC1 ZINC000033048483 558886023 /nfs/dbraw/zinc/88/60/23/558886023.db2.gz HKIUVEOCFIBKNK-UHFFFAOYSA-N 1 0 423.586 3.770 50 0 HHAARO Cc1ccc(CN2C(=O)c3ccccc3[C@H]2C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004676261 558888690 /nfs/dbraw/zinc/88/86/90/558888690.db2.gz LNEDVKXDMWELJG-RDPSFJRHSA-N 1 0 419.569 3.930 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(OC)c2)CC1 ZINC000058137647 558901075 /nfs/dbraw/zinc/90/10/75/558901075.db2.gz KCWUJCHVFMITMQ-UHFFFAOYSA-N 1 0 422.504 3.855 50 0 HHAARO CC(C)[C@H](CNC(=O)Nc1cccc(-c2nncn2C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000058161638 558905608 /nfs/dbraw/zinc/90/56/08/558905608.db2.gz VMGKZYVNGNUYLS-QFIPXVFZSA-N 1 0 418.545 3.687 50 0 HHAARO CC[N@H+](CCNC(=O)c1ccc(Oc2cccc(Br)c2)nc1)C1CC1 ZINC000058264298 558915308 /nfs/dbraw/zinc/91/53/08/558915308.db2.gz ARTHODPRMMURBB-UHFFFAOYSA-N 1 0 404.308 3.851 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000059264545 558933145 /nfs/dbraw/zinc/93/31/45/558933145.db2.gz AXQRNROXNKMRNK-OAQYLSRUSA-N 1 0 411.546 3.855 50 0 HHAARO O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000060374127 558942150 /nfs/dbraw/zinc/94/21/50/558942150.db2.gz WRGSFMPXFCZKEE-OAHLLOKOSA-N 1 0 412.843 3.855 50 0 HHAARO O[C@H](COc1ccc2oc3c(c2c1)CCCC3)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019606699 558946582 /nfs/dbraw/zinc/94/65/82/558946582.db2.gz WNGKKNSUHAHMOK-FQEVSTJZSA-N 1 0 406.526 3.874 50 0 HHAARO CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000064120740 558962206 /nfs/dbraw/zinc/96/22/06/558962206.db2.gz JSTLSEUSNGTAHI-UHFFFAOYSA-N 1 0 419.569 3.952 50 0 HHAARO CSc1cccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c1 ZINC000065362537 558973456 /nfs/dbraw/zinc/97/34/56/558973456.db2.gz BKVATRAPGOWCBW-UHFFFAOYSA-N 1 0 421.530 3.691 50 0 HHAARO O=C(NCc1nc(-c2ccccc2Cl)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000067604573 558988623 /nfs/dbraw/zinc/98/86/23/558988623.db2.gz ASNPJELJLHWSEC-UHFFFAOYSA-N 1 0 410.905 3.918 50 0 HHAARO CN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000067622873 558990047 /nfs/dbraw/zinc/99/00/47/558990047.db2.gz GLVOEEGBQATFIQ-UHFFFAOYSA-N 1 0 414.506 3.808 50 0 HHAARO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000097109078 558995185 /nfs/dbraw/zinc/99/51/85/558995185.db2.gz ZUKZVSRIWTYJHA-ROUUACIJSA-N 1 0 406.505 3.760 50 0 HHAARO C[N@H+](CCCN1CC2(CCN(C(=O)[C@@H]3CC34CCC4)CC2)OC1=O)C1CCCCC1 ZINC000077470430 559006433 /nfs/dbraw/zinc/00/64/33/559006433.db2.gz ACDMSQKUKIVAQJ-FQEVSTJZSA-N 1 0 417.594 3.645 50 0 HHAARO CC1(C)CC(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC(C)(C)[NH2+]1 ZINC000011422676 559075695 /nfs/dbraw/zinc/07/56/95/559075695.db2.gz LQMKEDJXTMOSCY-UHFFFAOYSA-N 1 0 415.559 3.526 50 0 HHAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](CCC(F)(F)C(F)F)CC3)c1 ZINC000095524694 559085969 /nfs/dbraw/zinc/08/59/69/559085969.db2.gz RCHITIKSSNUCFX-UHFFFAOYSA-N 1 0 402.432 3.800 50 0 HHAARO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccc4nccnc4c3)CC2)C1 ZINC000096137695 559095610 /nfs/dbraw/zinc/09/56/10/559095610.db2.gz CTXYOGYSEOQXCN-OAQYLSRUSA-N 1 0 400.526 3.972 50 0 HHAARO COc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000011614433 559113656 /nfs/dbraw/zinc/11/36/56/559113656.db2.gz NSQWYRHSBKWNDT-NRFANRHFSA-N 1 0 406.482 3.607 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccccc1OC ZINC000011614772 559114586 /nfs/dbraw/zinc/11/45/86/559114586.db2.gz GRCDMNNSKRFJCY-JOCHJYFZSA-N 1 0 420.509 3.997 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc32)c1 ZINC000035559995 559187298 /nfs/dbraw/zinc/18/72/98/559187298.db2.gz YCWGXHFTXCUJNV-LJQANCHMSA-N 1 0 420.557 3.945 50 0 HHAARO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000247894644 559190007 /nfs/dbraw/zinc/19/00/07/559190007.db2.gz OALJIVLWVZBTOD-IRLDBZIGSA-N 1 0 413.514 3.571 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C ZINC000004904475 559200440 /nfs/dbraw/zinc/20/04/40/559200440.db2.gz KCXXDHKVZGXHON-UHFFFAOYSA-N 1 0 408.546 3.680 50 0 HHAARO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488785 559277585 /nfs/dbraw/zinc/27/75/85/559277585.db2.gz IYXKAUUZZZYFJN-HXUWFJFHSA-N 1 0 404.599 3.871 50 0 HHAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)cc1 ZINC000005342980 560568007 /nfs/dbraw/zinc/56/80/07/560568007.db2.gz UEZQXPPUHOXWQJ-UHFFFAOYSA-N 1 0 422.529 3.628 50 0 HHAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3C)cc1)CC2 ZINC000014748904 560771721 /nfs/dbraw/zinc/77/17/21/560771721.db2.gz HSVQBCCBQFMTKK-UHFFFAOYSA-N 1 0 421.541 3.537 50 0 HHAARO O=S(=O)(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1Br ZINC000014181306 560839772 /nfs/dbraw/zinc/83/97/72/560839772.db2.gz UMCXVECQJKOTNO-UHFFFAOYSA-N 1 0 423.376 3.914 50 0 HHAARO CCOC(=O)c1c2c(sc1NC(=O)NCCC[NH+](CC)CC)COC(C)(C)C2 ZINC000024545097 560844731 /nfs/dbraw/zinc/84/47/31/560844731.db2.gz DMZOOLSDAYMLBG-UHFFFAOYSA-N 1 0 411.568 3.630 50 0 HHAARO C[C@@H]1CN(c2ccccc2NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H](C)O1 ZINC000047807494 568431287 /nfs/dbraw/zinc/43/12/87/568431287.db2.gz UNEQDSMLZYIGND-FCEWJHQRSA-N 1 0 402.564 3.786 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccsc1 ZINC000048311923 568437168 /nfs/dbraw/zinc/43/71/68/568437168.db2.gz KQWFCFCVAAEZMY-GUYCJALGSA-N 1 0 402.520 3.672 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3cccc(C)c3C)cc2)CC1 ZINC000048302364 568437729 /nfs/dbraw/zinc/43/77/29/568437729.db2.gz UAORDKGSEFXCIU-UHFFFAOYSA-N 1 0 409.574 3.526 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccccc2)C1 ZINC000048341692 568440380 /nfs/dbraw/zinc/44/03/80/568440380.db2.gz PXIDCMSWIVCIHZ-WOJBJXKFSA-N 1 0 407.558 3.601 50 0 HHAARO COc1cccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1 ZINC000049421015 568450360 /nfs/dbraw/zinc/45/03/60/568450360.db2.gz SVEVPVYAVXFSRR-OAQYLSRUSA-N 1 0 402.498 3.711 50 0 HHAARO COc1cccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)c1 ZINC000049421016 568450370 /nfs/dbraw/zinc/45/03/70/568450370.db2.gz SVEVPVYAVXFSRR-NRFANRHFSA-N 1 0 402.498 3.711 50 0 HHAARO C[C@H]([NH2+]CC(=O)NCCSc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 ZINC000049592412 568452417 /nfs/dbraw/zinc/45/24/17/568452417.db2.gz XKESDFHYQUTMKU-AWEZNQCLSA-N 1 0 406.935 3.670 50 0 HHAARO CC(C)[NH2+]C[C@H](O)Cn1c2ccccc2c2c1-c1cnn(-c3ccccc3)c1CC2 ZINC000000762976 568473178 /nfs/dbraw/zinc/47/31/78/568473178.db2.gz CZELXTIDAORWAB-IBGZPJMESA-N 1 0 400.526 3.952 50 0 HHAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000778768 568473781 /nfs/dbraw/zinc/47/37/81/568473781.db2.gz FGULNZFEEJIVCD-XMMPIXPASA-N 1 0 408.542 3.773 50 0 HHAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000778771 568473805 /nfs/dbraw/zinc/47/38/05/568473805.db2.gz ALMCLYYSAPXNEO-DEOSSOPVSA-N 1 0 408.542 3.773 50 0 HHAARO CCN1CCN(C(=O)C2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)CC1 ZINC000000785867 568476972 /nfs/dbraw/zinc/47/69/72/568476972.db2.gz WPXCGDFTANTARP-UHFFFAOYSA-N 1 0 421.585 3.642 50 0 HHAARO Brc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc2c1OCO2 ZINC000022771267 568499491 /nfs/dbraw/zinc/49/94/91/568499491.db2.gz ATTQZIWOXHNXRN-UHFFFAOYSA-N 1 0 403.320 3.932 50 0 HHAARO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000095427833 568608062 /nfs/dbraw/zinc/60/80/62/568608062.db2.gz UTIMYIVIWPWLCK-AWEZNQCLSA-N 1 0 416.323 3.687 50 0 HHAARO COc1ccc(-c2nc(COC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)cs2)cc1 ZINC000095454617 568616207 /nfs/dbraw/zinc/61/62/07/568616207.db2.gz RZPRBIXCFOWCIK-IBGZPJMESA-N 1 0 402.516 3.505 50 0 HHAARO C[NH+]1CCN([C@H]2CCCCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000095455678 568616962 /nfs/dbraw/zinc/61/69/62/568616962.db2.gz JHMZUEPWXQNQLN-QFIPXVFZSA-N 1 0 419.635 3.525 50 0 HHAARO CCCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3cccs3)ccc21 ZINC000020678053 568640048 /nfs/dbraw/zinc/64/00/48/568640048.db2.gz IAKHTTUHYNMRKV-UHFFFAOYSA-N 1 0 411.575 3.898 50 0 HHAARO CCCC[N@H+](CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O)Cc1ccccc1 ZINC000020732809 568641014 /nfs/dbraw/zinc/64/10/14/568641014.db2.gz NUKDPCUIHBILFU-JOCHJYFZSA-N 1 0 408.546 3.618 50 0 HHAARO C[NH+](C)CCN(C(=O)[C@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl ZINC000225616556 568657491 /nfs/dbraw/zinc/65/74/91/568657491.db2.gz MJPQPMIVVXTXMT-HNNXBMFYSA-N 1 0 412.361 3.537 50 0 HHAARO CC[NH+](CC)CCOCCNC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 ZINC000095939495 568661297 /nfs/dbraw/zinc/66/12/97/568661297.db2.gz IBWPRDCWEAPKNT-UHFFFAOYSA-N 1 0 422.913 3.665 50 0 HHAARO COc1ccccc1N1CCC[C@H]([NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000095940794 568661739 /nfs/dbraw/zinc/66/17/39/568661739.db2.gz XVEQVJISUKNOPN-VXKWHMMOSA-N 1 0 405.546 3.985 50 0 HHAARO O=C(CSc1ncnc2c1sc1cccc(F)c12)NCC[NH+]1CCCCC1 ZINC000021153356 568672736 /nfs/dbraw/zinc/67/27/36/568672736.db2.gz YIJABWFZNQVCQL-UHFFFAOYSA-N 1 0 404.536 3.678 50 0 HHAARO CCOc1ccc(C[C@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C(=O)OC)cc1 ZINC000095997165 568679089 /nfs/dbraw/zinc/67/90/89/568679089.db2.gz ZEDKAKCTGCIFSK-QGZVFWFLSA-N 1 0 413.543 3.669 50 0 HHAARO C[C@@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccccc1F ZINC000096280147 568717797 /nfs/dbraw/zinc/71/77/97/568717797.db2.gz XKWRSRCZQRCMAR-SFHVURJKSA-N 1 0 424.520 3.869 50 0 HHAARO O[C@H](C[NH2+]C1CCCCC1)COc1ccc(Br)cc1Br ZINC000012420357 568720336 /nfs/dbraw/zinc/72/03/36/568720336.db2.gz QLYXOOKWYHUTMG-CYBMUJFWSA-N 1 0 407.146 3.874 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420321 568720356 /nfs/dbraw/zinc/72/03/56/568720356.db2.gz MHLQXVOWVVZPPS-DGCLKSJQSA-N 1 0 407.146 3.826 50 0 HHAARO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000241701734 568731868 /nfs/dbraw/zinc/73/18/68/568731868.db2.gz QKUQTNKAZVPGTJ-CJNGLKHVSA-N 1 0 412.342 3.693 50 0 HHAARO O=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096490441 568754929 /nfs/dbraw/zinc/75/49/29/568754929.db2.gz WZTBMNHDPPAFKO-QFIPXVFZSA-N 1 0 413.949 3.571 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000096562185 568760285 /nfs/dbraw/zinc/76/02/85/568760285.db2.gz LSKQHNKOLJTEPH-FOIQADDNSA-N 1 0 402.336 3.627 50 0 HHAARO O=C1c2ccccc2N(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O ZINC000022039659 568764360 /nfs/dbraw/zinc/76/43/60/568764360.db2.gz VRVONLSYHWUATB-UHFFFAOYSA-N 1 0 411.505 3.581 50 0 HHAARO Cc1ccc([C@H](CNC(=O)COc2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1 ZINC000022582556 568770754 /nfs/dbraw/zinc/77/07/54/568770754.db2.gz WVTFHPUYSZVFIV-VWLOTQADSA-N 1 0 417.553 3.632 50 0 HHAARO O=S(=O)(c1ccc(Cl)s1)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225689961 568779079 /nfs/dbraw/zinc/77/90/79/568779079.db2.gz WADJKGFWKSIABB-UHFFFAOYSA-N 1 0 402.994 3.674 50 0 HHAARO O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC([N@@H+]2CCc3sccc3C2)CC1 ZINC000225690085 568779092 /nfs/dbraw/zinc/77/90/92/568779092.db2.gz LEIJJZSCBSUWDF-UHFFFAOYSA-N 1 0 416.612 3.838 50 0 HHAARO C[NH+](C)CCNCc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261491821 568820231 /nfs/dbraw/zinc/82/02/31/568820231.db2.gz LDWIEOHSJPCJJK-UHFFFAOYSA-N 1 0 404.345 3.951 50 0 HHAARO Cc1nn(-c2ccccc2)nc1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000029358466 568824665 /nfs/dbraw/zinc/82/46/65/568824665.db2.gz RZERVHATGAWKMV-UHFFFAOYSA-N 1 0 403.530 3.738 50 0 HHAARO CN(CCCOc1ccccc1)CC(=O)Nc1ccccc1I ZINC000029852170 568838366 /nfs/dbraw/zinc/83/83/66/568838366.db2.gz ZCPIGRXWFGNTJR-UHFFFAOYSA-N 1 0 424.282 3.631 50 0 HHAARO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000504065644 568864714 /nfs/dbraw/zinc/86/47/14/568864714.db2.gz WPEUNQPOHNFYQG-WMZOPIPTSA-N 1 0 402.926 3.703 50 0 HHAARO COc1ccc([C@@H](CNC(=O)CSc2nc(C)cc(C)n2)[NH+]2CCCCC2)cc1 ZINC000012598775 568869339 /nfs/dbraw/zinc/86/93/39/568869339.db2.gz AIXIHMVUTGGBFZ-HXUWFJFHSA-N 1 0 414.575 3.538 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992183 568873107 /nfs/dbraw/zinc/87/31/07/568873107.db2.gz XELZJZRNKWSHBN-DDVAMESESA-N 1 0 411.889 3.619 50 0 HHAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4C[C@@]5(C)CN(C)C[C@@](C)(C4)C5)[C@H]3C=C12 ZINC000004025957 568878174 /nfs/dbraw/zinc/87/81/74/568878174.db2.gz FIPCGZHKEIMIJW-OKEAFTKFSA-N 1 0 400.607 3.964 50 0 biogenic HHAARO C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783413 568958835 /nfs/dbraw/zinc/95/88/35/568958835.db2.gz NGUQYLOOISEJCU-GFCCVEGCSA-N 1 0 405.848 3.630 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008013059 568968315 /nfs/dbraw/zinc/96/83/15/568968315.db2.gz ZXJBBDXXWFPQAJ-QFIPXVFZSA-N 1 0 420.557 3.843 50 0 HHAARO COc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)cc1OC ZINC000015726885 568978147 /nfs/dbraw/zinc/97/81/47/568978147.db2.gz ONDIISYGTRWGJQ-UHFFFAOYSA-N 1 0 420.513 3.917 50 0 HHAARO CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008324387 568990921 /nfs/dbraw/zinc/99/09/21/568990921.db2.gz BALMACCCRLKTAN-JOCHJYFZSA-N 1 0 420.509 3.915 50 0 HHAARO C[N@H+](CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)Cc1ccccc1 ZINC000015770192 568997548 /nfs/dbraw/zinc/99/75/48/568997548.db2.gz FJRPBLCTVJHFGK-UHFFFAOYSA-N 1 0 423.586 3.546 50 0 HHAARO COc1cc(Cl)cc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1OC ZINC000104385455 569008507 /nfs/dbraw/zinc/00/85/07/569008507.db2.gz GLMPSZZIRBGOBQ-OAQYLSRUSA-N 1 0 418.965 3.734 50 0 HHAARO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(O)c2ncccc12 ZINC000012844785 569010144 /nfs/dbraw/zinc/01/01/44/569010144.db2.gz RSJAIWSUMNMYDB-UHFFFAOYSA-N 1 0 405.376 3.910 50 0 HHAARO COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850470 569010383 /nfs/dbraw/zinc/01/03/83/569010383.db2.gz GRGMUZFFZHOZOL-OAHLLOKOSA-N 1 0 413.909 3.869 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000015825121 569011368 /nfs/dbraw/zinc/01/13/68/569011368.db2.gz ZGPOABDUBXTCMZ-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000012926236 569023751 /nfs/dbraw/zinc/02/37/51/569023751.db2.gz XPJKXUFTZWFLJA-UHFFFAOYSA-N 1 0 417.394 3.831 50 0 HHAARO CC(=O)N[C@@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)cc1 ZINC000012932510 569025033 /nfs/dbraw/zinc/02/50/33/569025033.db2.gz SVHQVNCOPOAMGC-DEOSSOPVSA-N 1 0 407.558 3.865 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000016033267 569027933 /nfs/dbraw/zinc/02/79/33/569027933.db2.gz VOQLNPKKMQJCHV-MZLICYQSSA-N 1 0 407.514 3.732 50 0 HHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1F)C(c1ccccc1)=N2 ZINC000035372770 569033808 /nfs/dbraw/zinc/03/38/08/569033808.db2.gz YSQZXUIDYDGLIO-UHFFFAOYSA-N 1 0 410.518 3.821 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCC[NH+]4CCC(C)CC4)C3)nn2)cc1 ZINC000035398132 569035061 /nfs/dbraw/zinc/03/50/61/569035061.db2.gz XCSMUPDRZYECPG-QFIPXVFZSA-N 1 0 421.589 3.517 50 0 HHAARO Cc1ccc(-c2nccc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)n2)cc1 ZINC000035426028 569036553 /nfs/dbraw/zinc/03/65/53/569036553.db2.gz WBYRNEYBDZWZIR-UHFFFAOYSA-N 1 0 421.589 3.661 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000575619996 569038764 /nfs/dbraw/zinc/03/87/64/569038764.db2.gz HIQANHVXSLEHRH-INIZCTEOSA-N 1 0 419.403 3.809 50 0 HHAARO COc1ccc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccc(OC)cc34)CC2)cc1 ZINC000035504128 569040764 /nfs/dbraw/zinc/04/07/64/569040764.db2.gz ZMUWHQFCHXREEW-UHFFFAOYSA-N 1 0 421.541 3.724 50 0 HHAARO COc1ccc([C@@]2(O)CN3CCCCCC3=[N+]2c2ccc(OC(F)F)cc2)cc1 ZINC000001744572 569051346 /nfs/dbraw/zinc/05/13/46/569051346.db2.gz XSEALPMQAGMNBQ-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO C[C@@H](C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)[NH+]1CCCCCC1 ZINC000089448649 569060597 /nfs/dbraw/zinc/06/05/97/569060597.db2.gz PIEZLAUTRCTMJL-ZWKOTPCHSA-N 1 0 404.555 3.851 50 0 HHAARO O=C(C[NH2+]C12CC3CC(CC(C3)C1)C2)Nc1ccccc1I ZINC000006507571 569061776 /nfs/dbraw/zinc/06/17/76/569061776.db2.gz UEXZPOVZKSVTIC-UHFFFAOYSA-N 1 0 410.299 3.788 50 0 HHAARO CCCC[NH+](C[C@@H](O)COc1cccc(C)c1)C[C@@H](O)COc1cccc(C)c1 ZINC000006551100 569065374 /nfs/dbraw/zinc/06/53/74/569065374.db2.gz LGFPCLMEHARZNY-FGZHOGPDSA-N 1 0 401.547 3.585 50 0 HHAARO CCCC[NH+](C[C@H](O)COc1cccc(C)c1)C[C@H](O)COc1cccc(C)c1 ZINC000006551095 569065401 /nfs/dbraw/zinc/06/54/01/569065401.db2.gz LGFPCLMEHARZNY-VXKWHMMOSA-N 1 0 401.547 3.585 50 0 HHAARO CN1C[C@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000169302669 569066376 /nfs/dbraw/zinc/06/63/76/569066376.db2.gz QHOFUTURFHYTTR-VANUSSGQSA-N 1 0 410.473 3.825 50 0 HHAARO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102569 569092059 /nfs/dbraw/zinc/09/20/59/569092059.db2.gz DXMYDAUEDJCUMW-FQEVSTJZSA-N 1 0 413.445 3.727 50 0 HHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145907 569098358 /nfs/dbraw/zinc/09/83/58/569098358.db2.gz SUEWZKUMSAHMSS-GOTSBHOMSA-N 1 0 414.521 3.854 50 0 HHAARO COC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146561 569098752 /nfs/dbraw/zinc/09/87/52/569098752.db2.gz SWEBFGJOZJHYJF-PMACEKPBSA-N 1 0 423.340 3.996 50 0 HHAARO O=C(C1=CC[N@H+](Cc2cccc(F)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000064818104 569101280 /nfs/dbraw/zinc/10/12/80/569101280.db2.gz HYVASJVXVUYFPK-UHFFFAOYSA-N 1 0 413.924 3.960 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc(C)cc2C)CC1 ZINC000036345725 569143323 /nfs/dbraw/zinc/14/33/23/569143323.db2.gz LDVVTHQCPDEEKU-DEOSSOPVSA-N 1 0 422.548 3.758 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875220 569162061 /nfs/dbraw/zinc/16/20/61/569162061.db2.gz AOXTZJPERMEUKV-NHCUHLMSSA-N 1 0 413.587 3.897 50 0 HHAARO CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000006875520 569163079 /nfs/dbraw/zinc/16/30/79/569163079.db2.gz CSTVYIXVUKCMRA-SFTDATJTSA-N 1 0 411.571 3.651 50 0 HHAARO CC[C@@H](C)[C@H]1Nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919970 569181713 /nfs/dbraw/zinc/18/17/13/569181713.db2.gz BJAZSKMNNHULRK-IIBYNOLFSA-N 1 0 400.567 3.850 50 0 HHAARO CCCC[NH+]1CCN(C(=O)c2cnc(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000065153750 569187612 /nfs/dbraw/zinc/18/76/12/569187612.db2.gz NNDLEVVXJLKOHR-UHFFFAOYSA-N 1 0 401.514 3.764 50 0 HHAARO CC(C)CC[NH2+]Cc1cccn1-c1nnc(N2CCN(Cc3ccccc3)CC2)s1 ZINC000007002018 569198952 /nfs/dbraw/zinc/19/89/52/569198952.db2.gz VPIQICAORNIRNP-UHFFFAOYSA-N 1 0 424.618 3.787 50 0 HHAARO Cc1ccc2cc(CCC(=O)NCCC[N@@H+]3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000065245613 569205356 /nfs/dbraw/zinc/20/53/56/569205356.db2.gz VPJMJMSHVNQSPK-UHFFFAOYSA-N 1 0 403.526 3.746 50 0 HHAARO COc1ccccc1-c1nc(-c2ccc3c(c2)nnn3CC[NH+]2CCCCC2)no1 ZINC000065255011 569207658 /nfs/dbraw/zinc/20/76/58/569207658.db2.gz XKPLZYXCKYKJLY-UHFFFAOYSA-N 1 0 404.474 3.643 50 0 HHAARO COc1ccc(NC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)cc1OC ZINC000065256093 569208296 /nfs/dbraw/zinc/20/82/96/569208296.db2.gz NIQUEUYBZRQVQR-HXUWFJFHSA-N 1 0 418.497 3.502 50 0 HHAARO COc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)c(OC)c1 ZINC000065256291 569208406 /nfs/dbraw/zinc/20/84/06/569208406.db2.gz DOKDZILMYGRSAQ-NRFANRHFSA-N 1 0 418.497 3.502 50 0 HHAARO O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065307546 569219725 /nfs/dbraw/zinc/21/97/25/569219725.db2.gz HZANBXOVZBZEFZ-QFIPXVFZSA-N 1 0 418.541 3.650 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000007263913 569230835 /nfs/dbraw/zinc/23/08/35/569230835.db2.gz TZMJSNXERWMPKV-UHFFFAOYSA-N 1 0 421.463 3.958 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000065501315 569232572 /nfs/dbraw/zinc/23/25/72/569232572.db2.gz UUMXZWDWIFEJLJ-HSZRJFAPSA-N 1 0 406.574 3.724 50 0 HHAARO Cc1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1Cc1ccccc1 ZINC000007328935 569233801 /nfs/dbraw/zinc/23/38/01/569233801.db2.gz HZMIXLZYQSYKHO-UHFFFAOYSA-N 1 0 421.570 3.961 50 0 HHAARO Cc1ncc(Br)c(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000170608070 569245190 /nfs/dbraw/zinc/24/51/90/569245190.db2.gz ZQBIILDJWGNUSB-CQSZACIVSA-N 1 0 409.372 3.664 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000170623111 569249674 /nfs/dbraw/zinc/24/96/74/569249674.db2.gz XZGYRANEBLFPOQ-IGKOOGGESA-N 1 0 412.599 3.973 50 0 HHAARO Cc1nc(COc2cccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)c2)cs1 ZINC000170627105 569250320 /nfs/dbraw/zinc/25/03/20/569250320.db2.gz BMUVNATXZLBFRS-UHFFFAOYSA-N 1 0 422.554 3.820 50 0 HHAARO COc1ccc(N2C[C@@H](C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)CC2=O)cc1 ZINC000089644344 569261628 /nfs/dbraw/zinc/26/16/28/569261628.db2.gz QYKWKVQGUPUHQV-IBGZPJMESA-N 1 0 407.514 3.591 50 0 HHAARO O=C(COc1ccc(Br)cc1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000089787637 569264378 /nfs/dbraw/zinc/26/43/78/569264378.db2.gz VGQUCIDAVRLYQN-UHFFFAOYSA-N 1 0 421.310 3.748 50 0 HHAARO COc1ccc(Cn2c(C)cc(O)c([C@@H](c3ccncc3)[NH+]3CCCCC3)c2=O)cc1 ZINC000016993497 569270856 /nfs/dbraw/zinc/27/08/56/569270856.db2.gz LHRMIDXGIPJPJZ-XMMPIXPASA-N 1 0 419.525 3.890 50 0 HHAARO Nc1c2c(nn1-c1ccccc1)nc(NCC[NH+]1CCCC1)nc2-c1cccc(F)c1 ZINC000037359129 569277619 /nfs/dbraw/zinc/27/76/19/569277619.db2.gz HYLRBELNQVSVSW-UHFFFAOYSA-N 1 0 417.492 3.712 50 0 HHAARO [NH3+][C@H](CCC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000170677474 569298098 /nfs/dbraw/zinc/29/80/98/569298098.db2.gz VOUDSWOCIYOBSB-OAQYLSRUSA-N 1 0 423.538 3.584 50 0 HHAARO COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NC(C)C)CC2)cc(OC)c1 ZINC000037554291 569306154 /nfs/dbraw/zinc/30/61/54/569306154.db2.gz FFEGLRVTOCZYEI-UHFFFAOYSA-N 1 0 411.546 3.925 50 0 HHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819805 569320790 /nfs/dbraw/zinc/32/07/90/569320790.db2.gz MBJGDVRVWZDVGN-QHCPKHFHSA-N 1 0 419.654 3.771 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br ZINC000253415744 569367136 /nfs/dbraw/zinc/36/71/36/569367136.db2.gz RMAZQVBCSWZSOJ-UYAOXDASSA-N 1 0 402.336 3.731 50 0 HHAARO C[C@@]12C[NH2+]C[C@@](C)(CN(P(=O)(Oc3ccccc3)Oc3ccccc3)C1)C2=O ZINC000002311355 569373893 /nfs/dbraw/zinc/37/38/93/569373893.db2.gz DTXRUNJMFKOIDA-OYRHEFFESA-N 1 0 400.415 3.753 50 0 HHAARO COc1cc(F)ccc1CN1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300748 569415773 /nfs/dbraw/zinc/41/57/73/569415773.db2.gz MHFMUTGVUNGLFS-QFIPXVFZSA-N 1 0 401.501 3.760 50 0 HHAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3c(C)cccc3Cl)[nH]c(=O)c2C1 ZINC000067291889 571068047 /nfs/dbraw/zinc/06/80/47/571068047.db2.gz QMAZIHRLFOVGCY-UHFFFAOYSA-N 1 0 406.939 3.643 50 0 HHAARO C[N@H+](Cc1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCCCC1 ZINC000040040624 571142809 /nfs/dbraw/zinc/14/28/09/571142809.db2.gz WAZKLNOGGNPMKG-UHFFFAOYSA-N 1 0 404.514 3.869 50 0 HHAARO O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893858 571143043 /nfs/dbraw/zinc/14/30/43/571143043.db2.gz FFCONMVJTHCFBS-LJQANCHMSA-N 1 0 419.978 3.751 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCc1ccc(OC(F)F)cc1 ZINC000040103810 571164406 /nfs/dbraw/zinc/16/44/06/571164406.db2.gz KAZNSXSTIXVOBW-UHFFFAOYSA-N 1 0 404.461 3.670 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)c3ccccc3Br)cc2)CC1 ZINC000040115657 571173319 /nfs/dbraw/zinc/17/33/19/571173319.db2.gz MJTPCZPDIOURHA-UHFFFAOYSA-N 1 0 416.363 3.517 50 0 HHAARO C[NH+](C)CCCNC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O ZINC000008990778 571206746 /nfs/dbraw/zinc/20/67/46/571206746.db2.gz SJYBSEBBKJJTET-KRWDZBQOSA-N 1 0 405.336 3.745 50 0 HHAARO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245237173 571219309 /nfs/dbraw/zinc/21/93/09/571219309.db2.gz FWZCQWCDPGAPFG-RYRKJORJSA-N 1 0 412.500 3.696 50 0 HHAARO C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352136 571222920 /nfs/dbraw/zinc/22/29/20/571222920.db2.gz MXIACQKIYDHCLK-QAPCUYQASA-N 1 0 402.336 3.934 50 0 HHAARO CCC(C)(C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000009337893 571249499 /nfs/dbraw/zinc/24/94/99/571249499.db2.gz YYIPUQQHTJPHBX-UHFFFAOYSA-N 1 0 415.987 3.621 50 0 HHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000010299578 571299621 /nfs/dbraw/zinc/29/96/21/571299621.db2.gz ZPEDUYJKLDREHV-UHFFFAOYSA-N 1 0 415.541 3.810 50 0 HHAARO Cn1cc([C@H](CNC(=O)C2(c3ccccc3)CCOCC2)[NH+](C)C)c2ccccc21 ZINC000077171666 571311821 /nfs/dbraw/zinc/31/18/21/571311821.db2.gz DQZNZIBZHRJMRE-QHCPKHFHSA-N 1 0 405.542 3.646 50 0 HHAARO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3CCCn3cccn3)cc2)n1 ZINC000011838297 962201242 /nfs/dbraw/zinc/20/12/42/962201242.db2.gz OMJHYCVNKAQONC-QFIPXVFZSA-N 1 0 406.534 3.569 50 0 HHAARO CCc1ccc(C[NH+]2CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 ZINC000011910445 962206962 /nfs/dbraw/zinc/20/69/62/962206962.db2.gz ZQVCAKGAJFDZNQ-VWLOTQADSA-N 1 0 405.542 3.672 50 0 HHAARO CCOCCC[NH2+]Cc1c(C(=O)OCC)cnn1-c1ccnc2cc(Cl)ccc21 ZINC000012036886 962224743 /nfs/dbraw/zinc/22/47/43/962224743.db2.gz ZLYQWWQOVPXWKB-UHFFFAOYSA-N 1 0 416.909 3.767 50 0 HHAARO O=C(CC[C@H]1CCC[N@@H+](C2CCSCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012053092 962230051 /nfs/dbraw/zinc/23/00/51/962230051.db2.gz YUTXLIBAZWRYQA-JOCHJYFZSA-N 1 0 415.647 3.719 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc(OC)c1O ZINC000012092951 962236926 /nfs/dbraw/zinc/23/69/26/962236926.db2.gz VNQPVTCILDKDOB-JOCHJYFZSA-N 1 0 405.922 3.880 50 0 HHAARO COc1cccc(CCNC(=O)[C@H]2CC23CC[NH+](Cc2ccccc2OC)CC3)c1 ZINC000012181623 962249777 /nfs/dbraw/zinc/24/97/77/962249777.db2.gz QVYGLKMBYHQMJZ-JOCHJYFZSA-N 1 0 408.542 3.665 50 0 HHAARO C/C=C(\C)C[NH+]1CCN(c2cccc3c2C(=O)N([C@H](C)c2nccs2)C3=O)CC1 ZINC000012191131 962251112 /nfs/dbraw/zinc/25/11/12/962251112.db2.gz RJKDTSKGNWOJSD-UDCCBSLUSA-N 1 0 410.543 3.589 50 0 HHAARO O=C(c1cccc(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc3nsnc3c2)C1 ZINC000012190304 962251283 /nfs/dbraw/zinc/25/12/83/962251283.db2.gz GAWHXMVDMCUJTM-UTKZUKDTSA-N 1 0 410.518 3.957 50 0 HHAARO CCOc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4C)C(=O)[C@]34CCC[N@H+]24)cc1CO ZINC000012201363 962252365 /nfs/dbraw/zinc/25/23/65/962252365.db2.gz DBEISLJALRSBCB-FXSPECFOSA-N 1 0 420.553 3.824 50 0 HHAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH+]2CCCCC2)C4)c1 ZINC000012278906 962265679 /nfs/dbraw/zinc/26/56/79/962265679.db2.gz DKIDZKCPYLFBSU-KRWDZBQOSA-N 1 0 409.555 3.858 50 0 HHAARO O=C(CCc1nnc(CCc2ccccc2)o1)N1CCC(C[NH+]2CCCCC2)CC1 ZINC000012303805 962268197 /nfs/dbraw/zinc/26/81/97/962268197.db2.gz LXKXYYPWVXFLGJ-UHFFFAOYSA-N 1 0 410.562 3.512 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012314582 962268680 /nfs/dbraw/zinc/26/86/80/962268680.db2.gz WXMFNKAHJCCSQN-XMMPIXPASA-N 1 0 415.505 3.585 50 0 HHAARO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F ZINC000012571190 962293420 /nfs/dbraw/zinc/29/34/20/962293420.db2.gz WWAWBPBEZVBSGY-QGZVFWFLSA-N 1 0 412.496 3.683 50 0 HHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)nc(C)n1 ZINC000012708577 962316292 /nfs/dbraw/zinc/31/62/92/962316292.db2.gz XAAMRCVGJKISNR-NRFANRHFSA-N 1 0 410.562 3.519 50 0 HHAARO CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]3C(=O)N[C@@H](CC4CCCCC4)C(=O)N3C2)cc1 ZINC000014743489 962566271 /nfs/dbraw/zinc/56/62/71/962566271.db2.gz YIUOEAFGJQCXMJ-FKBYEOEOSA-N 1 0 411.590 3.512 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000014745957 962567856 /nfs/dbraw/zinc/56/78/56/962567856.db2.gz KQIZGMXAZNGNLY-IBGZPJMESA-N 1 0 416.516 3.700 50 0 HHAARO O=C(c1ccc(Cl)cc1)N1CCOc2ccc(C[N@H+]3CCCC[C@@H]3CO)cc2C1 ZINC000014970804 962614457 /nfs/dbraw/zinc/61/44/57/962614457.db2.gz RHLAEWOQNVYLFH-OAQYLSRUSA-N 1 0 414.933 3.722 50 0 HHAARO O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]2C[N@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014999993 962623485 /nfs/dbraw/zinc/62/34/85/962623485.db2.gz JPBFWORVZMRBPC-YADHBBJMSA-N 1 0 406.526 3.513 50 0 HHAARO COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3)C2)c(C)c1C ZINC000023361811 963808110 /nfs/dbraw/zinc/80/81/10/963808110.db2.gz UPKXOTBMDRFPTH-PKTZIBPZSA-N 1 0 409.574 3.569 50 0 HHAARO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C3)c1 ZINC000039353430 966492278 /nfs/dbraw/zinc/49/22/78/966492278.db2.gz LWHZBPGVISUMPF-AUSIDOKSSA-N 1 0 424.516 3.908 50 0 HHAARO Cc1ccc2nc(OCc3ccccc3C)c(C[NH2+][C@H](CO)Cc3c[nH]cn3)cc2c1 ZINC000043053810 966893345 /nfs/dbraw/zinc/89/33/45/966893345.db2.gz JQIHMLROQJQOGN-QHCPKHFHSA-N 1 0 416.525 3.847 50 0 HHAARO Cn1cnnc1Sc1ccc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000096794705 969052122 /nfs/dbraw/zinc/05/21/22/969052122.db2.gz NRQOPZXNHZMNBV-KRWDZBQOSA-N 1 0 415.538 3.795 50 0 HHAARO CNC(=O)c1ccc(/C=C\C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000098004779 969185470 /nfs/dbraw/zinc/18/54/70/969185470.db2.gz KDOQLXWKEQXRMJ-DGDFFNOKSA-N 1 0 411.933 3.666 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCc2ncc(-c3ccsc3)n2C1 ZINC000169761331 970471349 /nfs/dbraw/zinc/47/13/49/970471349.db2.gz NFVYYTLNRBPWOX-IBGZPJMESA-N 1 0 420.582 3.955 50 0 HHAARO COc1cccc(C(=O)N2CCC3(CC2)C[C@@H]([N@H+](C)Cc2ccccc2)CCO3)c1 ZINC000169773927 970476914 /nfs/dbraw/zinc/47/69/14/970476914.db2.gz ICQLMISCAYIDQH-QFIPXVFZSA-N 1 0 408.542 3.981 50 0 HHAARO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)CCO3)c1 ZINC000169792202 970483118 /nfs/dbraw/zinc/48/31/18/970483118.db2.gz YSUTTXHUHAOXNC-FQEVSTJZSA-N 1 0 400.563 3.859 50 0 HHAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23)NCC1CC1 ZINC000257179799 970618442 /nfs/dbraw/zinc/61/84/42/970618442.db2.gz CXZINRSDTORENJ-KBOSCXGNSA-N 1 0 423.601 3.698 50 0 HHAARO Cc1nnc([C@H]2CC3(CN2C(=O)c2cccnc2)CC[NH+](Cc2ccccc2)CC3)o1 ZINC000257182457 970620118 /nfs/dbraw/zinc/62/01/18/970620118.db2.gz GNUHRWPVQCDRKB-OAQYLSRUSA-N 1 0 417.513 3.643 50 0 HHAARO O=C1CC[N@H+](Cc2cccc(F)c2)CCC[C@@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257197154 970625827 /nfs/dbraw/zinc/62/58/27/970625827.db2.gz ZNXGQPDRBWIWJO-GOSISDBHSA-N 1 0 423.492 3.547 50 0 HHAARO CC(C)C[N@H+](Cc1cccnc1)C1CN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000257195536 970625969 /nfs/dbraw/zinc/62/59/69/970625969.db2.gz WHKCVLGHYLDQCB-UHFFFAOYSA-N 1 0 408.571 3.993 50 0 HHAARO C[N@@H+]1C[C@@H]2CCCN3CCC[C@H]([C@H]1CCCC(=O)NCc1cc(F)cc(F)c1)[C@H]23 ZINC000257194999 970626342 /nfs/dbraw/zinc/62/63/42/970626342.db2.gz VDZVGSSHVFKIMM-HWLQVEPHSA-N 1 0 405.533 3.556 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccccc2Cl)CC1 ZINC000004749086 132287377 /nfs/dbraw/zinc/28/73/77/132287377.db2.gz NMKIUMCTJTZOGE-UHFFFAOYSA-N 1 0 401.894 3.521 50 0 HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2cccc(C(C)=O)c2)CC1 ZINC000006646370 132312328 /nfs/dbraw/zinc/31/23/28/132312328.db2.gz WDKMOHIKYFLEOT-UHFFFAOYSA-N 1 0 415.921 3.702 50 0 HHAARO CSc1ncc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000007989234 132326678 /nfs/dbraw/zinc/32/66/78/132326678.db2.gz DQWYEFKQWJHASN-UHFFFAOYSA-N 1 0 407.543 3.598 50 0 HHAARO COc1cccc(NC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)c1 ZINC000008583788 132330455 /nfs/dbraw/zinc/33/04/55/132330455.db2.gz KBUHGPXQGHAVFF-UHFFFAOYSA-N 1 0 405.502 3.948 50 0 HHAARO Cc1c(Cl)cccc1NC(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697990 132349947 /nfs/dbraw/zinc/34/99/47/132349947.db2.gz DDWJYSJQZDMIIN-UHFFFAOYSA-N 1 0 423.908 3.931 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000011951340 132352476 /nfs/dbraw/zinc/35/24/76/132352476.db2.gz YXNSMQLUVFMUME-UHFFFAOYSA-N 1 0 403.530 3.586 50 0 HHAARO O=C(c1ccoc1)N1CCOc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2C1 ZINC000012151714 132355203 /nfs/dbraw/zinc/35/52/03/132355203.db2.gz QDWXVSJSHWJQON-UHFFFAOYSA-N 1 0 417.509 3.637 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1Cc1ccccc1Cl ZINC000032516130 519714991 /nfs/dbraw/zinc/71/49/91/519714991.db2.gz WXVOFQXWFWYGOL-FPOVZHCZSA-N 1 0 403.929 3.736 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000032819102 520859637 /nfs/dbraw/zinc/85/96/37/520859637.db2.gz CZKOIRBSFKIUMS-YVNCXZRQSA-N 1 0 410.514 3.679 50 0 HHAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc1F ZINC000043954330 521199014 /nfs/dbraw/zinc/19/90/14/521199014.db2.gz NAOFKECXUSKCMM-UHFFFAOYSA-N 1 0 424.538 3.625 50 0 HHAARO C[N@H+](CCCNc1cc(C(=O)N2CCOCC2)c2ccccc2n1)Cc1ccccc1 ZINC000032837550 522770954 /nfs/dbraw/zinc/77/09/54/522770954.db2.gz RXAZSAYGLOIFAQ-UHFFFAOYSA-N 1 0 418.541 3.641 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1OC ZINC000020541005 523940683 /nfs/dbraw/zinc/94/06/83/523940683.db2.gz JBFWUMDQWLGYMS-QFIPXVFZSA-N 1 0 410.558 3.778 50 0 HHAARO COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)[NH+](C)C)c1 ZINC000041799851 524161536 /nfs/dbraw/zinc/16/15/36/524161536.db2.gz HQVPSBKVHWEVHM-INIZCTEOSA-N 1 0 413.499 3.635 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3cccc4cccnc43)CC2)c1 ZINC000041479238 524556193 /nfs/dbraw/zinc/55/61/93/524556193.db2.gz MSBJKIUJIRLHSE-UHFFFAOYSA-N 1 0 402.542 3.875 50 0 HHAARO Cc1cc(C[NH+]2CCC(CNC(=O)C(=O)Nc3ccccc3Cl)CC2)c(C)o1 ZINC000043941100 524674501 /nfs/dbraw/zinc/67/45/01/524674501.db2.gz RIMRDOSKCBOVPT-UHFFFAOYSA-N 1 0 403.910 3.517 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)[NH+]1CCCC1 ZINC000032902425 524731977 /nfs/dbraw/zinc/73/19/77/524731977.db2.gz SQSGALJBOWSLFV-YAOQVBECSA-N 1 0 416.525 3.847 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000042127321 525137333 /nfs/dbraw/zinc/13/73/33/525137333.db2.gz FSOMKUVUYMWRJX-UHFFFAOYSA-N 1 0 417.347 3.917 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000032930753 526251698 /nfs/dbraw/zinc/25/16/98/526251698.db2.gz GIFYBHKBFYRIRW-SFHVURJKSA-N 1 0 414.571 3.536 50 0 HHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000043151171 526256515 /nfs/dbraw/zinc/25/65/15/526256515.db2.gz YUOIRBBLTKYSQJ-HSZRJFAPSA-N 1 0 404.558 3.762 50 0 HHAARO O=S(=O)(NC1CC[NH+](CCCOc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000032879623 527210073 /nfs/dbraw/zinc/21/00/73/527210073.db2.gz KCWDBURBVJGFQY-UHFFFAOYSA-N 1 0 408.951 3.552 50 0 HHAARO CC[C@@H](C)[N@H+](CCNC(=O)CCC(=O)N1CCOc2ccccc21)C1CCCCC1 ZINC000006798525 535554292 /nfs/dbraw/zinc/55/42/92/535554292.db2.gz GKZJQEYCOHRJCD-LJQANCHMSA-N 1 0 415.578 3.742 50 0 HHAARO COc1ccc2cc(C[NH2+]Cc3ccc(F)cc3)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000012078953 537035020 /nfs/dbraw/zinc/03/50/20/537035020.db2.gz FNOMRGISVIHHTH-SFHVURJKSA-N 1 0 409.505 3.881 50 0 HHAARO O=C(COc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000010450832 557287455 /nfs/dbraw/zinc/28/74/55/557287455.db2.gz UKDNEGFHPCTNEK-UHFFFAOYSA-N 1 0 403.320 3.609 50 0 HHAARO CCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(C)C ZINC000034831286 557466677 /nfs/dbraw/zinc/46/66/77/557466677.db2.gz BDCYSZZQYAHXDF-UHFFFAOYSA-N 1 0 415.557 3.609 50 0 HHAARO O=C(CCC(=O)N(C1CC1)C1CC[NH+](Cc2ccccc2)CC1)NC1CCCCC1 ZINC000004241289 557531768 /nfs/dbraw/zinc/53/17/68/557531768.db2.gz PCBDJTDCFGXFEL-UHFFFAOYSA-N 1 0 411.590 3.871 50 0 HHAARO COc1cc(C(=O)c2ccccc2)c(OC)cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004459361 557556154 /nfs/dbraw/zinc/55/61/54/557556154.db2.gz FKWBFYBHZXDUHB-UHFFFAOYSA-N 1 0 424.541 3.974 50 0 HHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2cccc(Cl)c2)N(CC[NH+](C)C)C1=O ZINC000006660978 557712676 /nfs/dbraw/zinc/71/26/76/557712676.db2.gz PBSKPFKKPIZKBS-IBGZPJMESA-N 1 0 412.873 3.562 50 0 HHAARO CC(=O)N1CCc2cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)ccc21 ZINC000022681149 557765590 /nfs/dbraw/zinc/76/55/90/557765590.db2.gz BWGZQOYJRJKAIE-OAQYLSRUSA-N 1 0 411.571 3.860 50 0 HHAARO COCc1ccc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000011813822 558278332 /nfs/dbraw/zinc/27/83/32/558278332.db2.gz DLXMSPVTEBQWAW-FQEVSTJZSA-N 1 0 404.551 3.702 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1C ZINC000019790907 558282393 /nfs/dbraw/zinc/28/23/93/558282393.db2.gz IDSPXTPRHQLSJC-NRFANRHFSA-N 1 0 400.588 3.794 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000019798900 558285090 /nfs/dbraw/zinc/28/50/90/558285090.db2.gz YWEUUPIJJXPPGJ-JOCHJYFZSA-N 1 0 420.557 3.824 50 0 HHAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000011879147 558293684 /nfs/dbraw/zinc/29/36/84/558293684.db2.gz UCCZGSRIQOPADD-UHFFFAOYSA-N 1 0 416.525 3.948 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cn(CC)nc2C)C1 ZINC000011879386 558293830 /nfs/dbraw/zinc/29/38/30/558293830.db2.gz KFAFOGSDCSNULQ-JOCHJYFZSA-N 1 0 405.489 3.878 50 0 HHAARO CCc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4csc(C)n4)O3)CC2)cc1 ZINC000011881326 558295099 /nfs/dbraw/zinc/29/50/99/558295099.db2.gz VTUMSDSDKJELBR-HXUWFJFHSA-N 1 0 413.587 3.958 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC ZINC000011953854 558303362 /nfs/dbraw/zinc/30/33/62/558303362.db2.gz NOOBJGHOARGYBZ-JOCHJYFZSA-N 1 0 400.544 3.894 50 0 HHAARO O=C(CCN1CC[NH+](Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)OCO2 ZINC000019900048 558304719 /nfs/dbraw/zinc/30/47/19/558304719.db2.gz DIFUIZVLIRSVHO-UHFFFAOYSA-N 1 0 417.509 3.715 50 0 HHAARO Cc1ccc([C@H](C)CCN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000011996742 558306943 /nfs/dbraw/zinc/30/69/43/558306943.db2.gz ZQFJJVSAEIOORJ-LJQANCHMSA-N 1 0 401.595 3.880 50 0 HHAARO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCC(=O)N1CCCCC1 ZINC000019922759 558307369 /nfs/dbraw/zinc/30/73/69/558307369.db2.gz WJARNXKZWMYCDQ-UHFFFAOYSA-N 1 0 400.494 3.558 50 0 HHAARO CCOc1ccccc1C[NH+]1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1 ZINC000012002083 558308360 /nfs/dbraw/zinc/30/83/60/558308360.db2.gz ODSMDYWSXKVTIN-UHFFFAOYSA-N 1 0 412.530 3.505 50 0 HHAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000012041271 558312833 /nfs/dbraw/zinc/31/28/33/558312833.db2.gz SSJMTCBIBDYNSR-GOSISDBHSA-N 1 0 413.541 3.588 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 ZINC000012053371 558314929 /nfs/dbraw/zinc/31/49/29/558314929.db2.gz JHNNAYFIPSSUKS-LJQANCHMSA-N 1 0 415.603 3.724 50 0 HHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCN4CCCC4=O)C3)C2)cc1 ZINC000012058634 558316927 /nfs/dbraw/zinc/31/69/27/558316927.db2.gz CWSRJSIHKQQKIE-VWLOTQADSA-N 1 0 411.590 3.637 50 0 HHAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1 ZINC000012098805 558325298 /nfs/dbraw/zinc/32/52/98/558325298.db2.gz BIOCVYBKBNRCHN-QFIPXVFZSA-N 1 0 420.553 3.534 50 0 HHAARO COc1ccccc1CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC000012135325 558333817 /nfs/dbraw/zinc/33/38/17/558333817.db2.gz KUBJHSWSOUNDAJ-NRFANRHFSA-N 1 0 414.496 3.934 50 0 HHAARO COc1cccc(C[NH+]2CCC(Oc3cc(OC)ccc3C(=O)N3CCCC3)CC2)c1 ZINC000012202314 558351777 /nfs/dbraw/zinc/35/17/77/558351777.db2.gz HLHVKPDXCAKIEB-UHFFFAOYSA-N 1 0 424.541 3.983 50 0 HHAARO O[C@@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020421538 558361971 /nfs/dbraw/zinc/36/19/71/558361971.db2.gz WBSJSDUBUKAUOD-MRXNPFEDSA-N 1 0 415.456 3.515 50 0 HHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020448783 558364066 /nfs/dbraw/zinc/36/40/66/558364066.db2.gz QMQCZWCEWAVKLI-QFIPXVFZSA-N 1 0 401.558 3.725 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 ZINC000012298795 558368726 /nfs/dbraw/zinc/36/87/26/558368726.db2.gz SNJWHKLQKOVAAM-GOSISDBHSA-N 1 0 415.534 3.748 50 0 HHAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020455790 558369548 /nfs/dbraw/zinc/36/95/48/558369548.db2.gz QNDHJIOGOFHUCT-QHCPKHFHSA-N 1 0 420.601 3.985 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)c(OC)c1 ZINC000012302334 558372078 /nfs/dbraw/zinc/37/20/78/558372078.db2.gz MPUQEFAJZPPQHA-FQEVSTJZSA-N 1 0 408.502 3.670 50 0 HHAARO O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)C1([NH+]2CCCCC2)CCCCC1 ZINC000012305821 558374776 /nfs/dbraw/zinc/37/47/76/558374776.db2.gz JKVXLAWMRNYIDF-HXUWFJFHSA-N 1 0 407.562 3.950 50 0 HHAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012306524 558375290 /nfs/dbraw/zinc/37/52/90/558375290.db2.gz OTAGIVVZHSLXFJ-HXUWFJFHSA-N 1 0 417.513 3.886 50 0 HHAARO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1CCCn1cccn1 ZINC000012309035 558377230 /nfs/dbraw/zinc/37/72/30/558377230.db2.gz KTTFAFBFVSWVCQ-QFIPXVFZSA-N 1 0 405.502 3.954 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCCc1cccnc1 ZINC000012317669 558380880 /nfs/dbraw/zinc/38/08/80/558380880.db2.gz JIVWIEOTESXSGR-UHFFFAOYSA-N 1 0 405.546 3.776 50 0 HHAARO Cc1nc2sccn2c1CN1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512109 558382229 /nfs/dbraw/zinc/38/22/29/558382229.db2.gz DSWAEPPSBOJJAM-FQEVSTJZSA-N 1 0 413.566 3.630 50 0 HHAARO O[C@H](C[NH2+]CCNc1ncccc1C(F)(F)F)COc1ccc(Cl)c(Cl)c1 ZINC000012338943 558386038 /nfs/dbraw/zinc/38/60/38/558386038.db2.gz OZKXQMJKCKPFLX-LLVKDONJSA-N 1 0 424.250 3.849 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCC[C@@H]1CCO ZINC000012430453 558405185 /nfs/dbraw/zinc/40/51/85/558405185.db2.gz YHLDMBHCMCBNSK-JOCHJYFZSA-N 1 0 423.557 3.502 50 0 HHAARO COc1cc(-c2n[nH]cc2CN2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC000020907236 558421311 /nfs/dbraw/zinc/42/13/11/558421311.db2.gz DNJXGGJHGZVULR-UHFFFAOYSA-N 1 0 414.550 3.553 50 0 HHAARO Cc1cnc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012475763 558422723 /nfs/dbraw/zinc/42/27/23/558422723.db2.gz VOKSEMVMTXWRFM-QHCPKHFHSA-N 1 0 422.573 3.627 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000020914805 558422804 /nfs/dbraw/zinc/42/28/04/558422804.db2.gz WVYJJENTWPOEOL-QFIPXVFZSA-N 1 0 401.576 3.906 50 0 HHAARO Cc1cccc(CN2CCC([NH+]3CCC(C(=O)N4CCCCCCC4)CC3)CC2)n1 ZINC000020917832 558423138 /nfs/dbraw/zinc/42/31/38/558423138.db2.gz LAMNKLCBGQNCMZ-UHFFFAOYSA-N 1 0 412.622 3.859 50 0 HHAARO COCCC[N@@H+](Cc1cccn1Cc1ccccc1)C[C@@H](O)COCc1ccccc1 ZINC000004346777 558427567 /nfs/dbraw/zinc/42/75/67/558427567.db2.gz IZFDUTALZOIYRM-AREMUKBSSA-N 1 0 422.569 3.953 50 0 HHAARO N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2F)[C@@H]2C[N@@H+](Cc3ccccc3)CC=C12 ZINC000001431105 558430633 /nfs/dbraw/zinc/43/06/33/558430633.db2.gz MXCNQLUGHKUFQM-FYYLOGMGSA-N 1 0 409.468 3.751 50 0 HHAARO COc1cc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCCCC2)cc(OC)c1OC ZINC000021170814 558432808 /nfs/dbraw/zinc/43/28/08/558432808.db2.gz HPHIHGMOBLGWIU-IBGZPJMESA-N 1 0 404.551 3.973 50 0 HHAARO COC1CC[NH+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000012593454 558436581 /nfs/dbraw/zinc/43/65/81/558436581.db2.gz JIWBXXJYYPVOLX-UHFFFAOYSA-N 1 0 405.498 3.938 50 0 HHAARO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4nccs4)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000012701957 558447981 /nfs/dbraw/zinc/44/79/81/558447981.db2.gz XSESKAFHAVBPCY-BPXKWBHBSA-N 1 0 408.527 3.773 50 0 HHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 ZINC000012704263 558448991 /nfs/dbraw/zinc/44/89/91/558448991.db2.gz PWDDMMDAUVYIOL-IBGZPJMESA-N 1 0 403.567 3.936 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795141 558449334 /nfs/dbraw/zinc/44/93/34/558449334.db2.gz FMPCKKZAVMUAJO-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)sc2c1 ZINC000004359214 558449949 /nfs/dbraw/zinc/44/99/49/558449949.db2.gz WZNLSWKBBIHKCO-LJQANCHMSA-N 1 0 411.527 3.593 50 0 HHAARO COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)c1 ZINC000012708592 558451144 /nfs/dbraw/zinc/45/11/44/558451144.db2.gz PJWCSHKOADDQGJ-HXUWFJFHSA-N 1 0 424.541 3.509 50 0 HHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000012713538 558453718 /nfs/dbraw/zinc/45/37/18/558453718.db2.gz OUGOFHJTTPSDML-DEOSSOPVSA-N 1 0 415.530 3.538 50 0 HHAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000004359541 558456573 /nfs/dbraw/zinc/45/65/73/558456573.db2.gz PNGUIHBIAKEDQU-UHFFFAOYSA-N 1 0 411.527 3.974 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794429 558467758 /nfs/dbraw/zinc/46/77/58/558467758.db2.gz AMJQWHOAKOQPID-YADHBBJMSA-N 1 0 413.537 3.779 50 0 HHAARO CCOc1ccc(OCCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012990069 558496620 /nfs/dbraw/zinc/49/66/20/558496620.db2.gz DWEPGTUEVQMWET-UHFFFAOYSA-N 1 0 411.546 3.949 50 0 HHAARO O=C(c1cc(-c2ccccc2)nc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022789941 558511939 /nfs/dbraw/zinc/51/19/39/558511939.db2.gz IAGJTGGLXAUBRU-UHFFFAOYSA-N 1 0 414.553 3.755 50 0 HHAARO O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022916698 558521708 /nfs/dbraw/zinc/52/17/08/558521708.db2.gz HPCOUMLRYSZTCR-RUZDIDTESA-N 1 0 402.538 3.911 50 0 HHAARO CC[NH+](CC)CCCn1c(S[C@H](C)c2nc(C)no2)nc2ccccc2c1=O ZINC000022972386 558528547 /nfs/dbraw/zinc/52/85/47/558528547.db2.gz IJMFYFLIPOBTSQ-CQSZACIVSA-N 1 0 401.536 3.673 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023020015 558530532 /nfs/dbraw/zinc/53/05/32/558530532.db2.gz BNQQPUTYLXKGTD-FQEVSTJZSA-N 1 0 411.571 3.513 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc3ccccc3n2C)C1 ZINC000023340369 558550589 /nfs/dbraw/zinc/55/05/89/558550589.db2.gz GTJYSNXNGBMYCU-FQEVSTJZSA-N 1 0 406.574 3.968 50 0 HHAARO c1c(CN2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccc3c(c2)OCO3)nn1Cc1ccccc1 ZINC000023358786 558551537 /nfs/dbraw/zinc/55/15/37/558551537.db2.gz GYZCCCHCWUEOMJ-JOCHJYFZSA-N 1 0 416.525 3.607 50 0 HHAARO O=C(Nc1cccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)c1)c1ccc(Cl)cc1Cl ZINC000014114869 558621486 /nfs/dbraw/zinc/62/14/86/558621486.db2.gz CHRWFIKAJCNEFA-OAHLLOKOSA-N 1 0 413.326 3.522 50 0 HHAARO Cc1ccc(NCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nn1 ZINC000072231647 558622019 /nfs/dbraw/zinc/62/20/19/558622019.db2.gz UDIKUCFFXCUYMG-UHFFFAOYSA-N 1 0 402.477 3.979 50 0 HHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)c2cccs2)CC1 ZINC000014197325 558634067 /nfs/dbraw/zinc/63/40/67/558634067.db2.gz VDPNZWGABQSCJO-KRWDZBQOSA-N 1 0 415.584 3.995 50 0 HHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000014532382 558656695 /nfs/dbraw/zinc/65/66/95/558656695.db2.gz AHKFICBEVIZEQG-UHFFFAOYSA-N 1 0 421.541 3.823 50 0 HHAARO CC[C@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014534334 558657363 /nfs/dbraw/zinc/65/73/63/558657363.db2.gz QYTGAYMFWTZEOK-FQEVSTJZSA-N 1 0 420.557 3.927 50 0 HHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014543182 558660886 /nfs/dbraw/zinc/66/08/86/558660886.db2.gz PJXUKERIHJIRLQ-FQEVSTJZSA-N 1 0 409.555 3.574 50 0 HHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C/C=C/c1ccco1)CC2 ZINC000014733559 558666132 /nfs/dbraw/zinc/66/61/32/558666132.db2.gz XGUOMFRBTAAIOW-WEVVVXLNSA-N 1 0 419.525 3.579 50 0 HHAARO Cc1cccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 ZINC000014746107 558669197 /nfs/dbraw/zinc/66/91/97/558669197.db2.gz BFOGZZBCJLJBNI-OAQYLSRUSA-N 1 0 402.542 3.589 50 0 HHAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000014746774 558669348 /nfs/dbraw/zinc/66/93/48/558669348.db2.gz YTRQZGFCUQVERB-UHFFFAOYSA-N 1 0 419.569 3.979 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccc3ccccc31)C(=O)N2CCOC ZINC000014754677 558671824 /nfs/dbraw/zinc/67/18/24/558671824.db2.gz XXCXDUZZRGBXQW-IBGZPJMESA-N 1 0 423.557 3.884 50 0 HHAARO COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000027577944 558675471 /nfs/dbraw/zinc/67/54/71/558675471.db2.gz RKHFLRYXEAHSPN-GOSISDBHSA-N 1 0 415.965 3.844 50 0 HHAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000027794315 558682781 /nfs/dbraw/zinc/68/27/81/558682781.db2.gz KUGQEVHCUDJCHY-DYESRHJHSA-N 1 0 400.494 3.945 50 0 HHAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc2oc(CCCc3ccccc3)nc2c1 ZINC000014963087 558684813 /nfs/dbraw/zinc/68/48/13/558684813.db2.gz LYVQFBNDVGHBEM-NRFANRHFSA-N 1 0 421.541 3.580 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2nc(SC)ncc2Cl)[NH+]2CCCCC2)cc1 ZINC000028289233 558696051 /nfs/dbraw/zinc/69/60/51/558696051.db2.gz DKVRNZCRMYWIRS-KRWDZBQOSA-N 1 0 420.966 3.818 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1cc(=O)c2ccc(Br)cc2o1)c1ccccc1 ZINC000028290707 558696943 /nfs/dbraw/zinc/69/69/43/558696943.db2.gz BTLFVVBJKBAVCF-MRXNPFEDSA-N 1 0 415.287 3.588 50 0 HHAARO C[C@@H](Cn1ccc2ccccc21)[NH2+]C1CCN(c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000015001297 558697955 /nfs/dbraw/zinc/69/79/55/558697955.db2.gz WTKCBSNYNOGSAI-IBGZPJMESA-N 1 0 404.558 3.990 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)c3ccccc3Br)CCCCC2)CC1 ZINC000028293512 558698510 /nfs/dbraw/zinc/69/85/10/558698510.db2.gz SNSPQZGSCWFMOE-UHFFFAOYSA-N 1 0 408.384 3.519 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957094 558707899 /nfs/dbraw/zinc/70/78/99/558707899.db2.gz DHHPQPXOUPJBEJ-FUHWJXTLSA-N 1 0 403.935 3.562 50 0 HHAARO CSC[C@H](C)[NH+]1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000015065902 558708769 /nfs/dbraw/zinc/70/87/69/558708769.db2.gz DGYHQEHEFOLYFS-KRWDZBQOSA-N 1 0 402.564 3.679 50 0 HHAARO O=c1c2ccccc2c(-c2ccccc2)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000029498596 558716060 /nfs/dbraw/zinc/71/60/60/558716060.db2.gz PPHZFKZTEFKPDH-UHFFFAOYSA-N 1 0 410.521 3.839 50 0 HHAARO O=C(C1=CCCC1)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015078768 558717826 /nfs/dbraw/zinc/71/78/26/558717826.db2.gz QHRIGTWADZOAQX-HXUWFJFHSA-N 1 0 407.480 3.929 50 0 HHAARO O=C(c1ccc(COc2cccc(Br)c2)o1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072288408 558719818 /nfs/dbraw/zinc/71/98/18/558719818.db2.gz AOWQHNXCQNGGJO-MRXNPFEDSA-N 1 0 419.319 3.931 50 0 HHAARO COc1cc([C@H]2ON=C(C[NH2+]Cc3ccc(Cl)cc3)[C@H]2C)c(OC)c2c1OCO2 ZINC000015085725 558720418 /nfs/dbraw/zinc/72/04/18/558720418.db2.gz RFNMMGDMDRSNEJ-XIKOKIGWSA-N 1 0 418.877 3.939 50 0 HHAARO CC[NH+]1CCC(NC(=O)CSc2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000030022453 558726436 /nfs/dbraw/zinc/72/64/36/558726436.db2.gz CCKKHXGOKYGQSU-UHFFFAOYSA-N 1 0 406.555 3.989 50 0 HHAARO Cc1noc(C(F)(F)F)c1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000072307107 558766608 /nfs/dbraw/zinc/76/66/08/558766608.db2.gz XAQAATYBAUYZSO-UHFFFAOYSA-N 1 0 408.424 3.786 50 0 HHAARO COc1cc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)cc(OC)c1OC ZINC000004585270 558775653 /nfs/dbraw/zinc/77/56/53/558775653.db2.gz KCIXTAARCOVTPM-UHFFFAOYSA-N 1 0 415.515 3.531 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000016363660 558788475 /nfs/dbraw/zinc/78/84/75/558788475.db2.gz NSJIDSKEGDZYAT-UHFFFAOYSA-N 1 0 424.357 3.978 50 0 HHAARO OCC[NH+]1CCN(CCO[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000038629964 558813228 /nfs/dbraw/zinc/81/32/28/558813228.db2.gz ZAAWVPYDNUHLJE-FQEVSTJZSA-N 1 0 418.990 3.715 50 0 HHAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000019114229 558841911 /nfs/dbraw/zinc/84/19/11/558841911.db2.gz JPLDDYOQTCEGDL-UHFFFAOYSA-N 1 0 406.526 3.598 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019143835 558846441 /nfs/dbraw/zinc/84/64/41/558846441.db2.gz HHYWISDZPYYVPE-JOCHJYFZSA-N 1 0 406.574 3.731 50 0 HHAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000033035975 558860007 /nfs/dbraw/zinc/86/00/07/558860007.db2.gz UTVVONGCPYEHQT-JOCHJYFZSA-N 1 0 414.594 3.590 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017970 558863095 /nfs/dbraw/zinc/86/30/95/558863095.db2.gz PVKGRKAVVYKXCX-UXHICEINSA-N 1 0 411.571 3.554 50 0 HHAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@@H](C(F)(F)F)C1 ZINC000022185513 558864158 /nfs/dbraw/zinc/86/41/58/558864158.db2.gz PBHHBTRXMPVQEG-GOSISDBHSA-N 1 0 417.431 3.714 50 0 HHAARO CSc1ncccc1C(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055196788 558875547 /nfs/dbraw/zinc/87/55/47/558875547.db2.gz TVRLWCRMXKGPCK-IBGZPJMESA-N 1 0 410.587 3.539 50 0 HHAARO CCOc1cc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)ccc1OC ZINC000019362926 558876505 /nfs/dbraw/zinc/87/65/05/558876505.db2.gz OJDQHBZQGYOBQA-UHFFFAOYSA-N 1 0 423.601 3.876 50 0 HHAARO COc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)ccc1C ZINC000055269665 558877738 /nfs/dbraw/zinc/87/77/38/558877738.db2.gz XHJZYLIVCQOCBV-JOCHJYFZSA-N 1 0 411.521 3.570 50 0 HHAARO CCc1ccccc1NC(=O)c1ccccc1NC(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000055393097 558880802 /nfs/dbraw/zinc/88/08/02/558880802.db2.gz VRENBMDELWWYPI-GOSISDBHSA-N 1 0 409.530 3.941 50 0 HHAARO CCc1ccc(CNC(=O)c2sc3ncnc(N4CC[NH+](CC)CC4)c3c2C)cc1 ZINC000033048356 558885629 /nfs/dbraw/zinc/88/56/29/558885629.db2.gz IAGDRLMPUHNQQT-UHFFFAOYSA-N 1 0 423.586 3.634 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)C(C)(C)C)c1 ZINC000057222776 558887681 /nfs/dbraw/zinc/88/76/81/558887681.db2.gz XALLSAHMZPJVAY-UHFFFAOYSA-N 1 0 409.530 3.780 50 0 HHAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NCc3csc(-c4ncccn4)n3)CC2)c1 ZINC000057992863 558893215 /nfs/dbraw/zinc/89/32/15/558893215.db2.gz OPWBSVGAIRGHIH-LJQANCHMSA-N 1 0 422.602 3.599 50 0 HHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)COc2ccc(F)cc2F)CC1 ZINC000058157518 558903422 /nfs/dbraw/zinc/90/34/22/558903422.db2.gz GESZHZLGADHODH-HNNXBMFYSA-N 1 0 421.463 3.502 50 0 HHAARO COc1ccc([C@@H](CC(=O)N2CCC([NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000019536284 558913754 /nfs/dbraw/zinc/91/37/54/558913754.db2.gz ZTQSWFJYUMRDTB-DEOSSOPVSA-N 1 0 408.542 3.540 50 0 HHAARO COc1ccc(CCNC(=[NH2+])NCc2cccc(NC(=O)c3cccc(F)c3)c2)cc1 ZINC000058342026 558920555 /nfs/dbraw/zinc/92/05/55/558920555.db2.gz GLRXJNXWOIPDFT-UHFFFAOYSA-N 1 0 420.488 3.943 50 0 HHAARO CC[C@H](C)[N@H+](C)CCNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000058406126 558924502 /nfs/dbraw/zinc/92/45/02/558924502.db2.gz GXEKFWQGFIKXJT-AWEZNQCLSA-N 1 0 401.511 3.595 50 0 HHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000058964797 558931144 /nfs/dbraw/zinc/93/11/44/558931144.db2.gz SJQVWOPKGHARHO-SFHVURJKSA-N 1 0 414.571 3.785 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799701 558965526 /nfs/dbraw/zinc/96/55/26/558965526.db2.gz QJZSBJRVAIZDFO-UHFFFAOYSA-N 1 0 407.562 3.645 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800088 558965724 /nfs/dbraw/zinc/96/57/24/558965724.db2.gz CJDHTEPDHLMZAP-UHFFFAOYSA-N 1 0 418.904 3.532 50 0 HHAARO C[C@H](CN1CC2(CC[NH+](Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1 ZINC000072426660 558978847 /nfs/dbraw/zinc/97/88/47/558978847.db2.gz LCZURGNBKGLBAW-GOSISDBHSA-N 1 0 408.546 3.888 50 0 HHAARO C[C@@H](CN1CC2(CC[NH+](Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1 ZINC000072453547 558982957 /nfs/dbraw/zinc/98/29/57/558982957.db2.gz LXZABHDRWFNMGX-IBGZPJMESA-N 1 0 408.546 3.738 50 0 HHAARO Cc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)c1 ZINC000067613349 558989055 /nfs/dbraw/zinc/98/90/55/558989055.db2.gz XLTRQJISLPUVEU-UHFFFAOYSA-N 1 0 410.543 3.977 50 0 HHAARO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000067622828 558990098 /nfs/dbraw/zinc/99/00/98/558990098.db2.gz ORNVWIZFXWLALR-UHFFFAOYSA-N 1 0 416.934 3.980 50 0 HHAARO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1CC ZINC000097164620 558998439 /nfs/dbraw/zinc/99/84/39/558998439.db2.gz QZBDDXVJIIUWLD-AWEZNQCLSA-N 1 0 405.873 3.906 50 0 HHAARO [NH3+]CC1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077516963 559007870 /nfs/dbraw/zinc/00/78/70/559007870.db2.gz CRKJWJGPDSUCQY-UHFFFAOYSA-N 1 0 410.562 3.529 50 0 HHAARO CCCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 ZINC000082097620 559037785 /nfs/dbraw/zinc/03/77/85/559037785.db2.gz JOZRIMGDSFHXFQ-QFIPXVFZSA-N 1 0 412.622 3.939 50 0 HHAARO Cc1ccc(C)c(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082107348 559038418 /nfs/dbraw/zinc/03/84/18/559038418.db2.gz KTRGUMHAZGAPGZ-JOCHJYFZSA-N 1 0 420.601 3.691 50 0 HHAARO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)o1 ZINC000082120108 559039169 /nfs/dbraw/zinc/03/91/69/559039169.db2.gz FHOYVOMGUMPNAW-JOCHJYFZSA-N 1 0 409.574 3.623 50 0 HHAARO Cc1cc2c(ccnc2N2CCC[C@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1 ZINC000033299632 559049509 /nfs/dbraw/zinc/04/95/09/559049509.db2.gz ZFIXSOCSUHUXLU-SFHVURJKSA-N 1 0 400.592 3.813 50 0 HHAARO Cc1cc(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)no1 ZINC000095524093 559085704 /nfs/dbraw/zinc/08/57/04/559085704.db2.gz MWBCPTRUXYRPJQ-QFIPXVFZSA-N 1 0 401.551 3.619 50 0 HHAARO O=C(c1csc(-c2ccc(F)cc2)n1)N1CCN(CCOc2ccccc2)CC1 ZINC000014246263 559161874 /nfs/dbraw/zinc/16/18/74/559161874.db2.gz QDPULPQWIDECGR-UHFFFAOYSA-N 1 0 411.502 3.786 50 0 HHAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000004992337 559224900 /nfs/dbraw/zinc/22/49/00/559224900.db2.gz FOFDCQHEZOTDFJ-SESVDKBCSA-N 1 0 400.906 3.580 50 0 HHAARO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCCC4)cc3NC2=O)c1 ZINC000005035865 559232288 /nfs/dbraw/zinc/23/22/88/559232288.db2.gz LPJFPKOKZZHARA-KGENOOAVSA-N 1 0 407.539 3.906 50 0 HHAARO COc1ccc2[nH]c3c(ncn(CC[NH+]4CCC(Cc5ccccc5)CC4)c3=O)c2c1 ZINC000005152223 559254126 /nfs/dbraw/zinc/25/41/26/559254126.db2.gz GRTMCIORJKAVLY-UHFFFAOYSA-N 1 0 416.525 3.841 50 0 HHAARO Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000037556860 559255146 /nfs/dbraw/zinc/25/51/46/559255146.db2.gz CWESIKTUUIPLKP-UHFFFAOYSA-N 1 0 409.574 3.795 50 0 HHAARO Cc1oc2c(c1C(=O)Nc1ccc(C[NH+]3CCC(C)CC3)cc1)C1=NCCN1C=N2 ZINC000100696528 559257489 /nfs/dbraw/zinc/25/74/89/559257489.db2.gz IOOYNEZLPOMTIF-UHFFFAOYSA-N 1 0 405.502 3.808 50 0 HHAARO COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3=O)o1 ZINC000011840148 559261434 /nfs/dbraw/zinc/26/14/34/559261434.db2.gz AMNFINGMRYOHAW-QFIPXVFZSA-N 1 0 404.457 3.719 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248167135 559267041 /nfs/dbraw/zinc/26/70/41/559267041.db2.gz PAGXHOBXHCWNQO-UGKGYDQZSA-N 1 0 402.510 3.765 50 0 HHAARO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)c2cc(C(C)(C)C)on2)CC1 ZINC000078876989 560540635 /nfs/dbraw/zinc/54/06/35/560540635.db2.gz VMEALKNMUORYSZ-UHFFFAOYSA-N 1 0 421.339 3.739 50 0 HHAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000079073959 560541129 /nfs/dbraw/zinc/54/11/29/560541129.db2.gz OPRCDQJHOLVEHX-NRFANRHFSA-N 1 0 411.546 3.567 50 0 HHAARO COc1cc2oc(=O)c(CC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c2cc1Cl ZINC000005323201 560568637 /nfs/dbraw/zinc/56/86/37/560568637.db2.gz RFKUMIINVGDIAJ-UHFFFAOYSA-N 1 0 420.937 3.731 50 0 HHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(Cl)cc2)N(CC[NH+](C)C)C1=O ZINC000005351966 560569076 /nfs/dbraw/zinc/56/90/76/560569076.db2.gz SKDIJVSARWQOIN-LJQANCHMSA-N 1 0 412.873 3.562 50 0 HHAARO O=C(C[C@@H]1Sc2ccccc2NC1=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000062228998 560587060 /nfs/dbraw/zinc/58/70/60/560587060.db2.gz WBIAMUNDHGLPRS-RXVVDRJESA-N 1 0 409.555 3.660 50 0 HHAARO CC[N@H+](C)CCNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c21 ZINC000062580529 560631492 /nfs/dbraw/zinc/63/14/92/560631492.db2.gz HNBZYNIGQRKLBJ-UHFFFAOYSA-N 1 0 411.575 3.554 50 0 HHAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982477 560858715 /nfs/dbraw/zinc/85/87/15/560858715.db2.gz DQFGLAYYLOBEOW-FCHUYYIVSA-N 1 0 414.521 3.997 50 0 HHAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984299 560858954 /nfs/dbraw/zinc/85/89/54/560858954.db2.gz FIKUOGRGTTXSKB-FCHUYYIVSA-N 1 0 400.494 3.607 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983615 560859287 /nfs/dbraw/zinc/85/92/87/560859287.db2.gz QTKJEPAJRPVJCC-LEWJYISDSA-N 1 0 402.922 3.733 50 0 HHAARO O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106160525 560884818 /nfs/dbraw/zinc/88/48/18/560884818.db2.gz BFVNUDSALSSJKX-TZIWHRDSSA-N 1 0 402.535 3.891 50 0 HHAARO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000109037090 568420765 /nfs/dbraw/zinc/42/07/65/568420765.db2.gz DILAHKWSJKHIAP-GJZGRUSLSA-N 1 0 415.347 3.984 50 0 HHAARO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000109037064 568420783 /nfs/dbraw/zinc/42/07/83/568420783.db2.gz GVFJKWVZCYIVRE-HUUCEWRRSA-N 1 0 402.564 3.829 50 0 HHAARO Cc1ccc(OCCC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000048289089 568434866 /nfs/dbraw/zinc/43/48/66/568434866.db2.gz KAWROSRJAQBXGN-OYRHEFFESA-N 1 0 410.558 3.998 50 0 HHAARO Cc1nc2cc(Cl)ccc2cc1C(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000048289374 568434921 /nfs/dbraw/zinc/43/49/21/568434921.db2.gz WBJOEIDWTGAEEF-UHFFFAOYSA-N 1 0 423.948 3.664 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1I ZINC000048310182 568436534 /nfs/dbraw/zinc/43/65/34/568436534.db2.gz YPUSLYDKRYILAT-LBPRGKRZSA-N 1 0 420.722 3.939 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000048310421 568436638 /nfs/dbraw/zinc/43/66/38/568436638.db2.gz XZGYRANEBLFPOQ-RMYSCLOFSA-N 1 0 412.599 3.973 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCNC(=O)c3ccsc3)cc2)C1 ZINC000048310669 568436758 /nfs/dbraw/zinc/43/67/58/568436758.db2.gz SXOIOYABKWHZBW-ROUUACIJSA-N 1 0 413.587 3.662 50 0 HHAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NC(=O)c3ccccc3-n3cccn3)CC2)c1 ZINC000048340838 568440392 /nfs/dbraw/zinc/44/03/92/568440392.db2.gz IDBSKLFGBQDOFH-NRFANRHFSA-N 1 0 417.557 3.511 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCNC(=O)c3ccccc3)cc2)C1 ZINC000048361668 568441247 /nfs/dbraw/zinc/44/12/47/568441247.db2.gz JMWBNKFKLAKMHT-BGYRXZFFSA-N 1 0 407.558 3.601 50 0 HHAARO Cc1cccc(C[NH+]2CCC(NC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000048801182 568443387 /nfs/dbraw/zinc/44/33/87/568443387.db2.gz RNEROVAURPPJBQ-JOCHJYFZSA-N 1 0 406.574 3.785 50 0 HHAARO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022039544 568473351 /nfs/dbraw/zinc/47/33/51/568473351.db2.gz AVKIGMHHJGZRDU-HNNXBMFYSA-N 1 0 414.377 3.945 50 0 HHAARO CN1CCN([C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c2cccs2)CC1 ZINC000022015923 568473410 /nfs/dbraw/zinc/47/34/10/568473410.db2.gz XAMWZOIISXTHFC-GOSISDBHSA-N 1 0 421.994 3.641 50 0 HHAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000000778811 568473785 /nfs/dbraw/zinc/47/37/85/568473785.db2.gz YIXWKIMSNXAPNW-UHFFFAOYSA-N 1 0 414.521 3.756 50 0 HHAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3sccc3C)CC2)cc1OC ZINC000000778829 568473811 /nfs/dbraw/zinc/47/38/11/568473811.db2.gz ZHQOTSHWNAXPIV-UHFFFAOYSA-N 1 0 416.587 3.987 50 0 HHAARO CC(=O)N1CCc2cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)ccc21 ZINC000022681146 568497261 /nfs/dbraw/zinc/49/72/61/568497261.db2.gz BWGZQOYJRJKAIE-NRFANRHFSA-N 1 0 411.571 3.860 50 0 HHAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2OC)CC1 ZINC000020107832 568588381 /nfs/dbraw/zinc/58/83/81/568588381.db2.gz SUCOLTIGZQZRSY-UHFFFAOYSA-N 1 0 416.591 3.515 50 0 HHAARO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000390827946 568591566 /nfs/dbraw/zinc/59/15/66/568591566.db2.gz MIOSFPFSZMLAKQ-SCDRESIJSA-N 1 0 409.574 3.842 50 0 HHAARO COc1ccc([C@@H](O)[C@@H](C)[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442650 568611137 /nfs/dbraw/zinc/61/11/37/568611137.db2.gz XCOIHEIQXXMCMO-XCLFUZPHSA-N 1 0 404.304 3.945 50 0 HHAARO CCCN(CC)c1ccc(C(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)cc1 ZINC000095451226 568614456 /nfs/dbraw/zinc/61/44/56/568614456.db2.gz IAGFTIWAIMBSDB-UHFFFAOYSA-N 1 0 401.595 3.812 50 0 HHAARO COc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1N1CCCCC1=O ZINC000040121328 568620760 /nfs/dbraw/zinc/62/07/60/568620760.db2.gz JCOKNYUPHQDVAL-KRWDZBQOSA-N 1 0 416.547 3.698 50 0 HHAARO Cc1cccc([S@](=O)Cc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)o2)c1 ZINC000020514492 568622567 /nfs/dbraw/zinc/62/25/67/568622567.db2.gz UFJZGRBRWVTVHF-LJAQVGFWSA-N 1 0 414.571 3.986 50 0 HHAARO Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[N@@H+](C)CCNC(=O)N(C)C)cc1 ZINC000095467774 568624848 /nfs/dbraw/zinc/62/48/48/568624848.db2.gz XMOZRVBTYFQOKN-UHFFFAOYSA-N 1 0 409.509 3.690 50 0 HHAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@H](C)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531637 568627288 /nfs/dbraw/zinc/62/72/88/568627288.db2.gz DINIOMMPOPZYOO-FQEVSTJZSA-N 1 0 419.569 3.676 50 0 HHAARO COc1ccc(C[NH+]2CCC(NC(=O)Cc3c[nH]c4ccccc34)CC2)cc1OC ZINC000095475598 568630076 /nfs/dbraw/zinc/63/00/76/568630076.db2.gz COKVXHXTGGOBEB-UHFFFAOYSA-N 1 0 407.514 3.508 50 0 HHAARO Cc1ncc(C[NH2+]C[C@H](C)O)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095480091 568632777 /nfs/dbraw/zinc/63/27/77/568632777.db2.gz XCHLMCUCBDKTNN-NSHDSACASA-N 1 0 403.276 3.600 50 0 HHAARO Cc1ncc(C[NH2+]C(C)(C)CO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095480280 568632991 /nfs/dbraw/zinc/63/29/91/568632991.db2.gz GYKBYVMXEAGUGP-UHFFFAOYSA-N 1 0 417.303 3.990 50 0 HHAARO CC[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)Oc1ccccc1F ZINC000225475042 568641053 /nfs/dbraw/zinc/64/10/53/568641053.db2.gz ZINRJBJKIHPVAJ-LJQANCHMSA-N 1 0 424.520 3.838 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 ZINC000020939758 568652584 /nfs/dbraw/zinc/65/25/84/568652584.db2.gz LSRGLIWBWLSEKM-LJQANCHMSA-N 1 0 414.513 3.713 50 0 HHAARO O=C(NCCC[NH+]1CCCCCC1)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000020980629 568654454 /nfs/dbraw/zinc/65/44/54/568654454.db2.gz XRCQXCISJZFIBX-UHFFFAOYSA-N 1 0 409.509 3.798 50 0 HHAARO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[NH+](C2CCCC2)CC1 ZINC000021017103 568657560 /nfs/dbraw/zinc/65/75/60/568657560.db2.gz UEYSPUPYAROHAW-UHFFFAOYSA-N 1 0 403.324 3.540 50 0 HHAARO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000095945485 568663570 /nfs/dbraw/zinc/66/35/70/568663570.db2.gz LRLNJGQVVROVCN-CVEARBPZSA-N 1 0 409.958 3.838 50 0 HHAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccn(-c3cccc(F)c3)n1)c1ccccc1O2 ZINC000095955313 568669084 /nfs/dbraw/zinc/66/90/84/568669084.db2.gz GPLUQVPDLPULMG-NRFANRHFSA-N 1 0 420.488 3.729 50 0 HHAARO Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000096007064 568683049 /nfs/dbraw/zinc/68/30/49/568683049.db2.gz YCNPXCWMMGCTHT-MRXNPFEDSA-N 1 0 410.486 3.545 50 0 HHAARO CCOc1c(Br)cc(C[NH2+][C@@H](C)Cn2ccnc2)cc1Br ZINC000030909752 568687570 /nfs/dbraw/zinc/68/75/70/568687570.db2.gz LIQGLLWUYFGAHO-NSHDSACASA-N 1 0 417.145 3.985 50 0 HHAARO Cc1nc2cccnc2n1-c1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000021530190 568710593 /nfs/dbraw/zinc/71/05/93/568710593.db2.gz FOVPIMHJBYGMNU-UHFFFAOYSA-N 1 0 403.530 3.819 50 0 HHAARO Cc1nn2c(ncc(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)c2C)c1-c1ccccc1 ZINC000021537994 568713059 /nfs/dbraw/zinc/71/30/59/568713059.db2.gz HYJQZVZHWJDNDV-KRWDZBQOSA-N 1 0 405.546 3.865 50 0 HHAARO COc1cc(NC(=O)N2CCC(C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc(OC)c1OC ZINC000021653345 568730636 /nfs/dbraw/zinc/73/06/36/568730636.db2.gz YAEWCZOXSYUPNA-IRXDYDNUSA-N 1 0 419.566 3.934 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cc(C)c(C)o3)CC2)c(Cl)c1 ZINC000015078699 568749892 /nfs/dbraw/zinc/74/98/92/568749892.db2.gz GIPQCLZBFHYPME-UHFFFAOYSA-N 1 0 420.937 3.969 50 0 HHAARO O=C1COc2ccc(Cl)cc2N1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096592194 568763046 /nfs/dbraw/zinc/76/30/46/568763046.db2.gz RAXZPIXGPXCVFL-UHFFFAOYSA-N 1 0 420.340 3.931 50 0 HHAARO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[N@@H+]5CCC[C@H]5C4)c3n2)cc1 ZINC000002486656 568775218 /nfs/dbraw/zinc/77/52/18/568775218.db2.gz AVXCTAKHTFWYNB-INIZCTEOSA-N 1 0 411.456 3.563 50 0 HHAARO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[N@@H+]5CCC[C@@H]5C4)c3n2)cc1 ZINC000002486658 568775329 /nfs/dbraw/zinc/77/53/29/568775329.db2.gz AVXCTAKHTFWYNB-MRXNPFEDSA-N 1 0 411.456 3.563 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002655655 568797769 /nfs/dbraw/zinc/79/77/69/568797769.db2.gz IMDLDGDMEZFVQU-GOSISDBHSA-N 1 0 403.320 3.831 50 0 HHAARO C[N@@H+]1CCCN(c2ccc(NC(=O)N[C@@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000056660881 568813547 /nfs/dbraw/zinc/81/35/47/568813547.db2.gz ADBORCLBYCLPMF-HXUWFJFHSA-N 1 0 400.473 3.916 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000057315839 568826826 /nfs/dbraw/zinc/82/68/26/568826826.db2.gz ZUPFXKSSYKWYIH-UHFFFAOYSA-N 1 0 422.312 3.784 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn(Cc2ccccc2Cl)c1 ZINC000012606789 568871304 /nfs/dbraw/zinc/87/13/04/568871304.db2.gz DHPDLZRKNYYRHP-UHFFFAOYSA-N 1 0 408.933 3.979 50 0 HHAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000058156781 568893342 /nfs/dbraw/zinc/89/33/42/568893342.db2.gz XUQSWQWGKBPUEY-GOSISDBHSA-N 1 0 411.571 3.967 50 0 HHAARO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH2+]C(C)C ZINC000003438477 568903193 /nfs/dbraw/zinc/90/31/93/568903193.db2.gz BLQTZKVUQKBFER-UHFFFAOYSA-N 1 0 406.504 3.546 50 0 HHAARO CCC[C@H](CNC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc(Cl)cc1Cl ZINC000031353914 568924745 /nfs/dbraw/zinc/92/47/45/568924745.db2.gz SQSIXLCPNGGFQE-SNVBAGLBSA-N 1 0 414.362 3.740 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000012761764 568946015 /nfs/dbraw/zinc/94/60/15/568946015.db2.gz OXDOIHNXBWZNIW-OAQYLSRUSA-N 1 0 415.965 3.733 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1N(C)C ZINC000004184756 568949941 /nfs/dbraw/zinc/94/99/41/568949941.db2.gz BMZLJIFMMFPVPR-SFTDATJTSA-N 1 0 422.573 3.566 50 0 HHAARO COc1ccccc1-n1cc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000670460699 568950184 /nfs/dbraw/zinc/95/01/84/568950184.db2.gz TVHJZWRCOCQUOJ-QHCPKHFHSA-N 1 0 402.542 3.556 50 0 HHAARO COc1ccc(OC)c(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c1 ZINC000004193213 568950634 /nfs/dbraw/zinc/95/06/34/568950634.db2.gz JPRWYRVERNFXIE-UHFFFAOYSA-N 1 0 419.481 3.881 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccncc1 ZINC000004271560 568957016 /nfs/dbraw/zinc/95/70/16/568957016.db2.gz GBQGIXVXJLZXLR-IBGZPJMESA-N 1 0 411.889 3.728 50 0 HHAARO Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007985681 568964555 /nfs/dbraw/zinc/96/45/55/568964555.db2.gz LEHLLFRASBBRPG-JOCHJYFZSA-N 1 0 419.525 3.804 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008012539 568968257 /nfs/dbraw/zinc/96/82/57/568968257.db2.gz OCIBHJCPASCCRY-UHFFFAOYSA-N 1 0 402.542 3.944 50 0 HHAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008013164 568968286 /nfs/dbraw/zinc/96/82/86/568968286.db2.gz STIFLQRARRDSMS-UHFFFAOYSA-N 1 0 408.477 3.721 50 0 HHAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000015681862 568968354 /nfs/dbraw/zinc/96/83/54/568968354.db2.gz KBXJGPCCVPICME-UHFFFAOYSA-N 1 0 414.525 3.533 50 0 HHAARO COc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)c(OC)c1 ZINC000015726893 568978399 /nfs/dbraw/zinc/97/83/99/568978399.db2.gz LUDJTPQNFUWNGJ-UHFFFAOYSA-N 1 0 420.513 3.917 50 0 HHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nccnc1-c1nc2ccccc2s1 ZINC000008367134 568995529 /nfs/dbraw/zinc/99/55/29/568995529.db2.gz JHVXONMNEJMRFN-QGZVFWFLSA-N 1 0 415.522 3.758 50 0 HHAARO C[N@H+](CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1)C1CCCCC1 ZINC000015770246 568997441 /nfs/dbraw/zinc/99/74/41/568997441.db2.gz FCFQMQQOZLCLBZ-UHFFFAOYSA-N 1 0 415.607 3.679 50 0 HHAARO C[N@H+](CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773976 568998798 /nfs/dbraw/zinc/99/87/98/568998798.db2.gz FGLMFURLORRNFI-XMMPIXPASA-N 1 0 413.521 3.506 50 0 HHAARO O=C(COc1cccc(Br)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008406359 569001634 /nfs/dbraw/zinc/00/16/34/569001634.db2.gz IVZAQZCPGHOZEH-UHFFFAOYSA-N 1 0 403.320 3.740 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccnc(-c3cccc(C)c3)n2)CC1 ZINC000085649087 569005520 /nfs/dbraw/zinc/00/55/20/569005520.db2.gz QLSJEUVMIUUMRE-UHFFFAOYSA-N 1 0 409.578 3.517 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1CCO ZINC000104291850 569008180 /nfs/dbraw/zinc/00/81/80/569008180.db2.gz UWWONWUWIUKLFD-HSZRJFAPSA-N 1 0 408.521 3.593 50 0 HHAARO CC(C)=CC[N@@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO ZINC000104481713 569008913 /nfs/dbraw/zinc/00/89/13/569008913.db2.gz JAMOXTCRXMTERV-OAQYLSRUSA-N 1 0 400.954 3.632 50 0 HHAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000012824858 569009076 /nfs/dbraw/zinc/00/90/76/569009076.db2.gz BMVQQXHBBWTTJV-QFIPXVFZSA-N 1 0 411.525 3.867 50 0 HHAARO CCOc1ccc(CN2CCN(Cc3ccc(O)c(Cl)c3)C[C@H]2CCO)cc1 ZINC000104556076 569009079 /nfs/dbraw/zinc/00/90/79/569009079.db2.gz WNYIEJZEOGQMMJ-LJQANCHMSA-N 1 0 404.938 3.513 50 0 HHAARO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCC[NH+]4CCC(C)CC4)C3)nn2)c1 ZINC000035398274 569035072 /nfs/dbraw/zinc/03/50/72/569035072.db2.gz FPDGLNZJXSTCKW-QFIPXVFZSA-N 1 0 421.589 3.517 50 0 HHAARO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000006304933 569038697 /nfs/dbraw/zinc/03/86/97/569038697.db2.gz QYDINJGCFUIIJF-BQJUDKOJSA-N 1 0 400.478 3.817 50 0 HHAARO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@@H](C)c1cccs1 ZINC000016390202 569040878 /nfs/dbraw/zinc/04/08/78/569040878.db2.gz QIVQFUSXYYEATK-LBPRGKRZSA-N 1 0 413.465 3.693 50 0 HHAARO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)cc(OC)c1 ZINC000252515838 569057980 /nfs/dbraw/zinc/05/79/80/569057980.db2.gz NYQFFWVOAXLMOK-RTBURBONSA-N 1 0 408.420 3.953 50 0 HHAARO C[N@H+](CCCO)C1CCN(C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC1 ZINC000089346030 569058657 /nfs/dbraw/zinc/05/86/57/569058657.db2.gz SBPLCGKIVUVDNY-UHFFFAOYSA-N 1 0 409.958 3.972 50 0 HHAARO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908069 569065383 /nfs/dbraw/zinc/06/53/83/569065383.db2.gz GJMMNJHLDBUAMN-UYAOXDASSA-N 1 0 409.496 3.836 50 0 HHAARO CCOC(=O)C1=C(C[NH+]2CCC(C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000035991521 569074637 /nfs/dbraw/zinc/07/46/37/569074637.db2.gz UBULVZPJXXSZTP-HXUWFJFHSA-N 1 0 419.953 3.975 50 0 HHAARO COc1cc(CNC(=O)C2CC[NH+](Cc3cn(C)c4ccccc34)CC2)cc(OC)c1 ZINC000064669618 569078868 /nfs/dbraw/zinc/07/88/68/569078868.db2.gz RWOVGCGFFXOUIU-UHFFFAOYSA-N 1 0 421.541 3.724 50 0 HHAARO Cc1cc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)c(C)c(=O)oc2c1 ZINC000006659548 569083741 /nfs/dbraw/zinc/08/37/41/569083741.db2.gz JKSVEWRNHTZELU-INIZCTEOSA-N 1 0 414.546 3.911 50 0 HHAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(Cl)cc12 ZINC000006660208 569084150 /nfs/dbraw/zinc/08/41/50/569084150.db2.gz FKEBUJUDOWSJOU-UHFFFAOYSA-N 1 0 420.937 3.867 50 0 HHAARO COCCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095941 569090086 /nfs/dbraw/zinc/09/00/86/569090086.db2.gz RAKXNOXHRSLQMM-IBGZPJMESA-N 1 0 423.937 3.636 50 0 HHAARO CCOC(=O)c1cc2ccsc2n1CC(=O)NCC[C@H](C)[NH+]1CCCCCC1 ZINC000064843189 569107086 /nfs/dbraw/zinc/10/70/86/569107086.db2.gz YALMCQDXGHOFNM-INIZCTEOSA-N 1 0 405.564 3.650 50 0 HHAARO Cc1ccccc1C1=NO[C@H](C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COC(C)C)C1 ZINC000169681672 569127761 /nfs/dbraw/zinc/12/77/61/569127761.db2.gz XNJBVESUFGJTCK-YADHBBJMSA-N 1 0 414.521 3.915 50 0 HHAARO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681975 569133858 /nfs/dbraw/zinc/13/38/58/569133858.db2.gz PCQKJBXXDHGCIA-CTNGQTDRSA-N 1 0 417.475 3.705 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000036344767 569142894 /nfs/dbraw/zinc/14/28/94/569142894.db2.gz KBVXIVJDLIDABM-XMMPIXPASA-N 1 0 422.548 3.758 50 0 HHAARO C[NH+](C)[C@@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369836 569153754 /nfs/dbraw/zinc/15/37/54/569153754.db2.gz OYBOOSWHSZRNLY-WIOPSUGQSA-N 1 0 412.493 3.662 50 0 biogenic HHAARO Cc1ccc(-c2cnc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)nc2)cc1 ZINC000065023424 569154887 /nfs/dbraw/zinc/15/48/87/569154887.db2.gz KNFNYCRCCMMJIT-JOCHJYFZSA-N 1 0 421.589 3.661 50 0 HHAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccccc2OC)CC1 ZINC000006877623 569164489 /nfs/dbraw/zinc/16/44/89/569164489.db2.gz PTBAKWUMBNQXDT-UHFFFAOYSA-N 1 0 411.502 3.942 50 0 HHAARO C[C@@H](NC(=O)C1CC[NH+](CCc2cn(C)c3ncccc23)CC1)c1ccc(F)cc1 ZINC000065164995 569189384 /nfs/dbraw/zinc/18/93/84/569189384.db2.gz KLLQSZIRPIUKRA-QGZVFWFLSA-N 1 0 408.521 3.844 50 0 HHAARO CC(=O)Nc1cccc2c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccnc12 ZINC000065178129 569191664 /nfs/dbraw/zinc/19/16/64/569191664.db2.gz TXKQKZVSQOFXCU-UHFFFAOYSA-N 1 0 402.498 3.588 50 0 HHAARO C[C@H]1CCCN(c2ccc(-c3noc(CN4CC[NH+](C5CCCCC5)CC4)n3)cn2)C1 ZINC000065216088 569197740 /nfs/dbraw/zinc/19/77/40/569197740.db2.gz KLUOQRNCPNXXSZ-IBGZPJMESA-N 1 0 424.593 3.818 50 0 HHAARO O=C(NCc1ccc(Cl)cc1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256116 569208154 /nfs/dbraw/zinc/20/81/54/569208154.db2.gz NGWYIFUFURMBCE-NRFANRHFSA-N 1 0 406.917 3.816 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1ccc(F)cc1 ZINC000065296302 569218891 /nfs/dbraw/zinc/21/88/91/569218891.db2.gz FRHSSUXAYLUXCX-FQEVSTJZSA-N 1 0 409.509 3.920 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000007109302 569221455 /nfs/dbraw/zinc/22/14/55/569221455.db2.gz IGYFKEVEELPDRA-UHFFFAOYSA-N 1 0 413.465 3.648 50 0 HHAARO O=C(CC[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NC1CCCC1 ZINC000065533853 569234490 /nfs/dbraw/zinc/23/44/90/569234490.db2.gz UIWIPUZZKDVXBL-UHFFFAOYSA-N 1 0 418.891 3.715 50 0 HHAARO CCCCc1c(C)nc2nc(SCCCN3CC[NH+](C(C)C)CC3)nn2c1C ZINC000170605587 569244258 /nfs/dbraw/zinc/24/42/58/569244258.db2.gz OKLWOAAIZNQRRN-UHFFFAOYSA-N 1 0 404.628 3.592 50 0 HHAARO COc1ccc([C@H]([NH2+]CCn2ccnc2)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606802 569244749 /nfs/dbraw/zinc/24/47/49/569244749.db2.gz LCQZLOFGCQDHQS-UXHICEINSA-N 1 0 400.523 3.622 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1nc(C2CC2)ncc1Br ZINC000170613532 569246954 /nfs/dbraw/zinc/24/69/54/569246954.db2.gz QWKUFAXXUWAHOD-UHFFFAOYSA-N 1 0 415.335 3.642 50 0 HHAARO FC(F)(F)c1cccnc1N1CCN(C2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000252490173 569289587 /nfs/dbraw/zinc/28/95/87/569289587.db2.gz KLBOPXHSVABMOS-UHFFFAOYSA-N 1 0 410.509 3.949 50 0 HHAARO C[NH+](C)CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2)c1 ZINC000037600535 569309149 /nfs/dbraw/zinc/30/91/49/569309149.db2.gz DFRIOBYEMGVVTE-UHFFFAOYSA-N 1 0 415.537 3.754 50 0 HHAARO CC(C)CN1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819693 569320708 /nfs/dbraw/zinc/32/07/08/569320708.db2.gz CFMJRLRLXUTYIJ-QHCPKHFHSA-N 1 0 419.654 3.771 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002279227 569327977 /nfs/dbraw/zinc/32/79/77/569327977.db2.gz IIVIDDUDYYSMQA-TXEJJXNPSA-N 1 0 422.323 3.633 50 0 HHAARO CC(C)(C)OC(=O)N1CC[NH+](C2CCC(NC(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000253429438 569368791 /nfs/dbraw/zinc/36/87/91/569368791.db2.gz SGHLJIHASAUEOR-UHFFFAOYSA-N 1 0 423.504 3.559 50 0 HHAARO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953986 569421986 /nfs/dbraw/zinc/42/19/86/569421986.db2.gz FKYVRHSALSZXPX-MSOLQXFVSA-N 1 0 402.491 3.910 50 0 HHAARO COc1ccc(CNC(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000079024398 569424545 /nfs/dbraw/zinc/42/45/45/569424545.db2.gz JJYFSVXSZXCTHI-ICSRJNTNSA-N 1 0 402.560 3.741 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1/c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000019881341 569432990 /nfs/dbraw/zinc/43/29/90/569432990.db2.gz GTCAHMKSCHRHET-IGCAKMCNSA-N 1 0 409.917 3.942 50 0 HHAARO C[NH+]1CCN(c2nc(-c3ccc(Br)cc3)nnc2-c2ccccc2)CC1 ZINC000000721169 571041251 /nfs/dbraw/zinc/04/12/51/571041251.db2.gz WRPDQUCFOSSPJS-UHFFFAOYSA-N 1 0 410.319 3.720 50 0 HHAARO CN(C)C(=O)CSc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008748939 571111538 /nfs/dbraw/zinc/11/15/38/571111538.db2.gz LAJMNYBWFQSMFY-UHFFFAOYSA-N 1 0 417.619 3.786 50 0 HHAARO CN(C)C1(C[NH2+]C[C@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1 ZINC000039939563 571135077 /nfs/dbraw/zinc/13/50/77/571135077.db2.gz FBVDUDWRHCXGOI-QFIPXVFZSA-N 1 0 410.558 3.511 50 0 HHAARO Cc1nc(COc2ccccc2C(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)no1 ZINC000040087004 571157641 /nfs/dbraw/zinc/15/76/41/571157641.db2.gz AGZGCVLWNVAMOI-UHFFFAOYSA-N 1 0 420.513 3.614 50 0 HHAARO Cn1ccnc1COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000040119567 571175555 /nfs/dbraw/zinc/17/55/55/571175555.db2.gz YKAMZLJBBDMPPF-UHFFFAOYSA-N 1 0 404.514 3.525 50 0 HHAARO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)nnn1-c1cccc(Cl)c1 ZINC000070012727 571254184 /nfs/dbraw/zinc/25/41/84/571254184.db2.gz ATGQVVROICYBQH-KRWDZBQOSA-N 1 0 401.942 3.756 50 0 HHAARO O=C1c2cccn2CC[C@H]1[C@@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1 ZINC000009498927 571263187 /nfs/dbraw/zinc/26/31/87/571263187.db2.gz XNYMQHDWHOGCCD-ICSRJNTNSA-N 1 0 412.307 3.523 50 0 HHAARO CC(C)N(C(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc(Nc2ccccc2)cc1 ZINC000009514311 571264608 /nfs/dbraw/zinc/26/46/08/571264608.db2.gz RJQVAFMVBOPRQB-UHFFFAOYSA-N 1 0 408.531 3.918 50 0 HHAARO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@H]32)C(C)C)cc1 ZINC000009517097 571265226 /nfs/dbraw/zinc/26/52/26/571265226.db2.gz KDGFIOQNZNVWRZ-QTJGBDASSA-N 1 0 419.569 3.892 50 0 HHAARO COc1ccc(C(OC[C@H](O)C[NH2+]CCCOC(C)C)c2ccc(OC)cc2)cc1 ZINC000009550253 571268090 /nfs/dbraw/zinc/26/80/90/571268090.db2.gz KPTDYHAOPQSOIY-OAQYLSRUSA-N 1 0 417.546 3.575 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(F)c1 ZINC000010233202 571297682 /nfs/dbraw/zinc/29/76/82/571297682.db2.gz NBBNGYLJMBVTEZ-OAQYLSRUSA-N 1 0 424.472 3.828 50 0 HHAARO COc1ccc(-c2cc(C(=O)N3CCC[C@@H]([N@H+](C)Cc4ccccc4)C3)[nH]n2)cc1 ZINC000011664409 962158606 /nfs/dbraw/zinc/15/86/06/962158606.db2.gz YJRDDGGLZWNEDX-HXUWFJFHSA-N 1 0 404.514 3.822 50 0 HHAARO CCc1ccc(CNC(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)nc1 ZINC000011821132 962198943 /nfs/dbraw/zinc/19/89/43/962198943.db2.gz DQWKJZAALWPBPW-UHFFFAOYSA-N 1 0 411.546 3.834 50 0 HHAARO CCC(=O)N[C@@H]1c2ccccc2C2(CC[NH+](Cc3cc(C(C)C)n[nH]3)CC2)[C@H]1OC ZINC000011882515 962206319 /nfs/dbraw/zinc/20/63/19/962206319.db2.gz GGGLEMJGRCBNDF-PKTZIBPZSA-N 1 0 410.562 3.663 50 0 HHAARO Cc1c([C@@H](C)NC(=O)C[NH+]2CCC(c3ccccc3)CC2)cnn1-c1ccccn1 ZINC000011936824 962211626 /nfs/dbraw/zinc/21/16/26/962211626.db2.gz WKLYBYOSLAMPHN-GOSISDBHSA-N 1 0 403.530 3.633 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011957540 962215562 /nfs/dbraw/zinc/21/55/62/962215562.db2.gz FZJTVXAOSZNAMM-HSZRJFAPSA-N 1 0 410.606 3.949 50 0 HHAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 ZINC000012160324 962247323 /nfs/dbraw/zinc/24/73/23/962247323.db2.gz OZRFPZKWXWFHHQ-JOCHJYFZSA-N 1 0 411.546 3.810 50 0 HHAARO CCN(CC1CC[NH+](CCc2ccccc2C)CC1)C(=O)c1c(C)cc(C)[nH]c1=O ZINC000012303853 962268094 /nfs/dbraw/zinc/26/80/94/962268094.db2.gz FDULJJHZEXOVDD-UHFFFAOYSA-N 1 0 409.574 3.717 50 0 HHAARO O=C1c2cccc(N3CC[NH+](C4CCCC4)CC3)c2C(=O)N1Cc1cccc(F)c1 ZINC000012454269 962282764 /nfs/dbraw/zinc/28/27/64/962282764.db2.gz WYDWYCJGUSDZIE-UHFFFAOYSA-N 1 0 407.489 3.687 50 0 HHAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)C1 ZINC000012571946 962292974 /nfs/dbraw/zinc/29/29/74/962292974.db2.gz QYEKTTLOOHVOEH-OAQYLSRUSA-N 1 0 412.578 3.804 50 0 HHAARO O=C(NC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000012754463 962324399 /nfs/dbraw/zinc/32/43/99/962324399.db2.gz GVTWWAKVYFSOGJ-OAHLLOKOSA-N 1 0 409.511 3.667 50 0 HHAARO O=C([C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc(O)cc2)C1)N1CCCC1 ZINC000014745105 962567924 /nfs/dbraw/zinc/56/79/24/962567924.db2.gz XVXTXZPNYKWQKU-VQTJNVASSA-N 1 0 412.505 3.671 50 0 HHAARO Cc1ccc([C@H](C)CC[N@@H+]2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 ZINC000014748278 962568117 /nfs/dbraw/zinc/56/81/17/962568117.db2.gz PUNKYBXDPMHCBG-QGZVFWFLSA-N 1 0 406.530 3.803 50 0 HHAARO C[N@H+](Cc1cccc(OCCNC(=O)[C@@H]2CCCO2)c1)Cc1cccc2cccnc21 ZINC000014881799 962597266 /nfs/dbraw/zinc/59/72/66/962597266.db2.gz OZPUPBKGYLBNHY-QHCPKHFHSA-N 1 0 419.525 3.541 50 0 HHAARO COc1cc2nc(N(C)C)c(C[NH2+]CCc3ccccc3F)cc2c(OC)c1OC ZINC000014955264 962613107 /nfs/dbraw/zinc/61/31/07/962613107.db2.gz SCZVFBYRZHBQKZ-UHFFFAOYSA-N 1 0 413.493 3.798 50 0 HHAARO CN(C)C(=O)c1cc(C[NH2+]CCCc2ccccc2)cc(NC(=O)c2ccccn2)c1 ZINC000014969251 962615244 /nfs/dbraw/zinc/61/52/44/962615244.db2.gz JHRWCOYMOYRWOQ-UHFFFAOYSA-N 1 0 416.525 3.758 50 0 HHAARO CC[NH2+][C@@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000015073070 962647796 /nfs/dbraw/zinc/64/77/96/962647796.db2.gz BPHQHWQMNGESCW-CQSZACIVSA-N 1 0 407.461 3.992 50 0 HHAARO CN(C)c1ncc(C[NH+]2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)s1 ZINC000015069617 962648103 /nfs/dbraw/zinc/64/81/03/962648103.db2.gz GVSBWLCNFNQPQF-UHFFFAOYSA-N 1 0 412.603 3.786 50 0 HHAARO Cc1cccn2c(C[NH2+]C[C@H]3OCCc4ccccc43)c(C(=O)N3CCCCC3)nc12 ZINC000020877597 963399707 /nfs/dbraw/zinc/39/97/07/963399707.db2.gz YBVBBHPWXAYGLS-JOCHJYFZSA-N 1 0 418.541 3.672 50 0 HHAARO Cc1cccc(Cc2nnc(CCC(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC000023153541 963775937 /nfs/dbraw/zinc/77/59/37/963775937.db2.gz XWECUWZDZLZHKH-JOCHJYFZSA-N 1 0 418.541 3.682 50 0 HHAARO COc1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc2c1OCO2 ZINC000023282634 963793790 /nfs/dbraw/zinc/79/37/90/963793790.db2.gz HNTXAAIGSPTKSG-UHFFFAOYSA-N 1 0 420.303 3.670 50 0 HHAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000023379572 963812713 /nfs/dbraw/zinc/81/27/13/963812713.db2.gz NTEWOQKWKJCVRE-PKTZIBPZSA-N 1 0 408.542 3.996 50 0 HHAARO C[N@H+](CCc1ccccn1)[C@@H]1CCN(Cc2ccc(-c3ccccc3)cc2)C[C@H]1O ZINC000042926120 966869641 /nfs/dbraw/zinc/86/96/41/966869641.db2.gz SPPWLMSZZAZBJU-CLJLJLNGSA-N 1 0 401.554 3.858 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1)c1cccc(F)c1 ZINC000067869326 968784709 /nfs/dbraw/zinc/78/47/09/968784709.db2.gz QIZZLCSGTKHQDC-UHFFFAOYSA-N 1 0 420.448 3.648 50 0 HHAARO CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnc(-c2c(C)onc2-c2ccccc2)o1 ZINC000107497282 969309785 /nfs/dbraw/zinc/30/97/85/969309785.db2.gz OPABPTVSICDWEI-RTBURBONSA-N 1 0 421.501 3.675 50 0 HHAARO CCOc1cccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)CCO3)c1 ZINC000169792201 970483165 /nfs/dbraw/zinc/48/31/65/970483165.db2.gz YSUTTXHUHAOXNC-HXUWFJFHSA-N 1 0 400.563 3.859 50 0 HHAARO Cc1cnc(CO[C@H]2CCCN(C(=O)c3cc(-c4ccc(C)c(C)c4)n[nH]3)C2)n1C ZINC000257176401 970617895 /nfs/dbraw/zinc/61/78/95/970617895.db2.gz SPTKUCPRJNRYAB-IBGZPJMESA-N 1 0 407.518 3.557 50 0 HHAARO Cc1noc(C)c1Cc1ccc(C(=O)N2CC([N@@H+](Cc3cccnc3)CC(C)C)C2)o1 ZINC000257183383 970620079 /nfs/dbraw/zinc/62/00/79/970620079.db2.gz HMSKHMHAOHNXSV-UHFFFAOYSA-N 1 0 422.529 3.853 50 0 HHAARO Cc1nn(C)c(C)c1CN(C(=O)CC[N@H+]1Cc2cc(C)ccc2O[C@@H](C)C1)C(C)C ZINC000299773714 970722636 /nfs/dbraw/zinc/72/26/36/970722636.db2.gz DJUPVHHIECPROS-SFHVURJKSA-N 1 0 412.578 3.756 50 0 HHAARO CCn1ccnc(N2CCC([NH2+]Cc3cc(-c4ccccc4)ccc3OC)CC2)c1=O ZINC000511912052 1003887003 /nfs/dbraw/zinc/88/70/03/1003887003.db2.gz OSYNHAFADKSRDA-UHFFFAOYSA-N 1 0 418.541 3.697 50 0 HHAARO CC[NH+]1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002226200 132249776 /nfs/dbraw/zinc/24/97/76/132249776.db2.gz GZEDZYCEPYLSSK-UHFFFAOYSA-N 1 0 423.561 3.963 50 0 HHAARO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccc(Br)cc1 ZINC000004706711 132284476 /nfs/dbraw/zinc/28/44/76/132284476.db2.gz IINNOWQMMDWMMI-UHFFFAOYSA-N 1 0 406.299 3.739 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2ccccc2Cl)CC1 ZINC000004792385 132288909 /nfs/dbraw/zinc/28/89/09/132288909.db2.gz NDUCQURLRFZIPO-UHFFFAOYSA-N 1 0 402.926 3.682 50 0 HHAARO O=C(CCC1CC[NH+](C2Cc3ccccc3C2)CC1)N1CCN(c2ccccc2)CC1 ZINC000011934887 132352369 /nfs/dbraw/zinc/35/23/69/132352369.db2.gz GMJUFWBMYKCTKY-UHFFFAOYSA-N 1 0 417.597 3.995 50 0 HHAARO O=C(CCC1CC[NH+](C2CCSCC2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012429292 132359769 /nfs/dbraw/zinc/35/97/69/132359769.db2.gz RIHUPHLYVBSEBG-UHFFFAOYSA-N 1 0 401.620 3.723 50 0 HHAARO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccc2)CC1 ZINC000012534079 132362085 /nfs/dbraw/zinc/36/20/85/132362085.db2.gz HEIGLKCAOCLBOE-LJQANCHMSA-N 1 0 420.582 3.825 50 0 HHAARO COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)ccc2c1 ZINC000012613651 132365294 /nfs/dbraw/zinc/36/52/94/132365294.db2.gz XXEBUUYOEFFTLT-KRWDZBQOSA-N 1 0 404.514 3.737 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246111 520154864 /nfs/dbraw/zinc/15/48/64/520154864.db2.gz WBHSRYLGPIHPBB-HXUWFJFHSA-N 1 0 401.551 3.797 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccsc1 ZINC000031983249 520865837 /nfs/dbraw/zinc/86/58/37/520865837.db2.gz RVZMWBGVXPQMEH-ABSDTBQOSA-N 1 0 416.591 3.570 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cc4ccccc4OC)ccc3n2)CC1 ZINC000020108633 521696701 /nfs/dbraw/zinc/69/67/01/521696701.db2.gz WPRFWBAPZMFRJS-UHFFFAOYSA-N 1 0 418.541 3.875 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1 ZINC000040103433 522077075 /nfs/dbraw/zinc/07/70/75/522077075.db2.gz PDQJVLXUHKCUDY-HXUWFJFHSA-N 1 0 420.916 3.740 50 0 HHAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)n1 ZINC000040104875 524494894 /nfs/dbraw/zinc/49/48/94/524494894.db2.gz XLOLJMYOTNIWER-OFNKIYASSA-N 1 0 421.545 3.522 50 0 HHAARO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](C[NH+](C)C)[C@@H](O)c1ccccc1 ZINC000043494846 525061600 /nfs/dbraw/zinc/06/16/00/525061600.db2.gz UJROFVZGGBHNRR-OFNKIYASSA-N 1 0 410.562 3.628 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)cc2)C1 ZINC000052678883 525210919 /nfs/dbraw/zinc/21/09/19/525210919.db2.gz TVXHKZLKOJHSJY-QZTJIDSGSA-N 1 0 411.521 3.583 50 0 HHAARO Cc1[nH]c2ccc(C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)cc2c1C ZINC000020583754 525421978 /nfs/dbraw/zinc/42/19/78/525421978.db2.gz WZSHLIIYGFQQJR-UHFFFAOYSA-N 1 0 404.558 3.722 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000040103436 526580475 /nfs/dbraw/zinc/58/04/75/526580475.db2.gz KDMNUBIDHYADEX-LJQANCHMSA-N 1 0 418.925 3.728 50 0 HHAARO O=C(C[NH+]1CCC(Nc2ncnc3sc(-c4ccccc4)cc32)CC1)N1CCCC1 ZINC000032937619 526728775 /nfs/dbraw/zinc/72/87/75/526728775.db2.gz UXEPGJNBANDLRM-UHFFFAOYSA-N 1 0 421.570 3.857 50 0 HHAARO O=C(CSc1nccn1-c1cccc(F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032716584 527071395 /nfs/dbraw/zinc/07/13/95/527071395.db2.gz AQGJSGBAZXAEHI-UHFFFAOYSA-N 1 0 424.545 3.884 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000012745998 535754103 /nfs/dbraw/zinc/75/41/03/535754103.db2.gz LKOVPWZASNSSEU-UHFFFAOYSA-N 1 0 423.492 3.589 50 0 HHAARO COc1ccc([N+]2=C3CCCCCN3C[C@@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000002569233 557357168 /nfs/dbraw/zinc/35/71/68/557357168.db2.gz DONZALOUMKCURO-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NC[C@H]4CCCO4)cc3)CC2)cc1C ZINC000034668111 557361690 /nfs/dbraw/zinc/36/16/90/557361690.db2.gz FQQOCCFCGNCAGS-XMMPIXPASA-N 1 0 407.558 3.534 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740517 557443717 /nfs/dbraw/zinc/44/37/17/557443717.db2.gz PAGXHOBXHCWNQO-DENIHFKCSA-N 1 0 402.510 3.765 50 0 HHAARO CCOc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004648923 557575227 /nfs/dbraw/zinc/57/52/27/557575227.db2.gz ZHUXHACFDJNFOL-SFHVURJKSA-N 1 0 407.297 3.856 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000006756827 557719509 /nfs/dbraw/zinc/71/95/09/557719509.db2.gz HKOSBANQQFOLGD-UHFFFAOYSA-N 1 0 408.325 3.505 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000006767745 557720495 /nfs/dbraw/zinc/72/04/95/557720495.db2.gz XYCGAHJDVGYNKA-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000006767746 557720537 /nfs/dbraw/zinc/72/05/37/557720537.db2.gz OSHCHHSOIGAPML-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022680813 557767782 /nfs/dbraw/zinc/76/77/82/557767782.db2.gz MPFXOCYITZBPPZ-XLIONFOSSA-N 1 0 417.575 3.685 50 0 HHAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(Br)cc1Cl ZINC000097577438 557827043 /nfs/dbraw/zinc/82/70/43/557827043.db2.gz FJZPCULLZYQBMY-CYBMUJFWSA-N 1 0 404.736 3.677 50 0 HHAARO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](CCCn2cccn2)CC1 ZINC000011661551 558265255 /nfs/dbraw/zinc/26/52/55/558265255.db2.gz VORBEWJQQFFKII-UHFFFAOYSA-N 1 0 405.502 3.811 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000011663550 558267361 /nfs/dbraw/zinc/26/73/61/558267361.db2.gz NLWHDPDNZLCSAJ-UHFFFAOYSA-N 1 0 420.513 3.677 50 0 HHAARO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000011663449 558267379 /nfs/dbraw/zinc/26/73/79/558267379.db2.gz GSKRPYDSLLVIOX-HXUWFJFHSA-N 1 0 406.452 3.599 50 0 HHAARO COc1ccc(/C=C/C(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1OC ZINC000011815887 558279554 /nfs/dbraw/zinc/27/95/54/558279554.db2.gz KLOLXUPXDLHSIL-SDNYCIMKSA-N 1 0 420.553 3.807 50 0 HHAARO COc1ccc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c(OC)c1OC ZINC000019771272 558279668 /nfs/dbraw/zinc/27/96/68/558279668.db2.gz UETRWRFVOTVRAO-UHFFFAOYSA-N 1 0 400.563 3.655 50 0 HHAARO COCc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 ZINC000011816814 558280030 /nfs/dbraw/zinc/28/00/30/558280030.db2.gz RFGKIWZZLKJMGW-SFHVURJKSA-N 1 0 400.519 3.743 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000019774000 558280818 /nfs/dbraw/zinc/28/08/18/558280818.db2.gz JDCDWEDQQHQOHR-GOSISDBHSA-N 1 0 423.586 3.780 50 0 HHAARO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011818742 558281906 /nfs/dbraw/zinc/28/19/06/558281906.db2.gz XEAOYOOEWMDBDA-SFHVURJKSA-N 1 0 411.521 3.789 50 0 HHAARO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3c(C)nc4sccn34)C2)o1 ZINC000011819163 558282471 /nfs/dbraw/zinc/28/24/71/558282471.db2.gz BFALRJVMXYFOJJ-QGZVFWFLSA-N 1 0 400.548 3.914 50 0 HHAARO O=C(Cc1ccsc1)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000011881287 558295018 /nfs/dbraw/zinc/29/50/18/558295018.db2.gz JMBYWMXXZOBRTK-LJQANCHMSA-N 1 0 402.535 3.760 50 0 HHAARO CC[C@@H]1C[N@H+](CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000011910151 558296655 /nfs/dbraw/zinc/29/66/55/558296655.db2.gz JJNMIPRSAJXCLP-IEBWSBKVSA-N 1 0 415.559 3.879 50 0 HHAARO CCOc1cc(C[NH2+]CCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000019872272 558299789 /nfs/dbraw/zinc/29/97/89/558299789.db2.gz GTTOZZVRGDYRFI-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCN1CC[NH+](CC)CC1 ZINC000019902573 558305655 /nfs/dbraw/zinc/30/56/55/558305655.db2.gz SRXCROIPXRQBJG-UHFFFAOYSA-N 1 0 415.559 3.558 50 0 HHAARO CCc1ocnc1C(=O)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000011996653 558306958 /nfs/dbraw/zinc/30/69/58/558306958.db2.gz FFFKBYQHHULZAF-MRXNPFEDSA-N 1 0 403.473 3.890 50 0 HHAARO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011997362 558307128 /nfs/dbraw/zinc/30/71/28/558307128.db2.gz PZOHRHDNLPUCSI-OAHLLOKOSA-N 1 0 418.896 3.873 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 ZINC000012004183 558308672 /nfs/dbraw/zinc/30/86/72/558308672.db2.gz JKWJECJZNUUZCQ-NRFANRHFSA-N 1 0 410.533 3.741 50 0 HHAARO Cc1ncoc1C(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012030603 558311133 /nfs/dbraw/zinc/31/11/33/558311133.db2.gz QZDGNTTUDNKKMO-JOCHJYFZSA-N 1 0 411.546 3.825 50 0 HHAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(CNC(=O)c3cccc(F)c3)n2CC1 ZINC000012041267 558312853 /nfs/dbraw/zinc/31/28/53/558312853.db2.gz SSJMTCBIBDYNSR-SFHVURJKSA-N 1 0 413.541 3.588 50 0 HHAARO COc1ccc(NC(=O)CCC2CC[NH+](C3CSCCSC3)CC2)c(OC)c1 ZINC000012051766 558314389 /nfs/dbraw/zinc/31/43/89/558314389.db2.gz QRBJKEJCAGBRLX-UHFFFAOYSA-N 1 0 424.632 3.983 50 0 HHAARO CSCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012073160 558318209 /nfs/dbraw/zinc/31/82/09/558318209.db2.gz TUULIMNMALDMND-HSZRJFAPSA-N 1 0 416.631 3.627 50 0 HHAARO CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000012091544 558324251 /nfs/dbraw/zinc/32/42/51/558324251.db2.gz QADHOKXPHAWPEF-OAQYLSRUSA-N 1 0 400.563 3.666 50 0 HHAARO COC(=O)c1ccccc1C(=O)N(C)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012112288 558326700 /nfs/dbraw/zinc/32/67/00/558326700.db2.gz XDOHIBFCJHJOBR-UHFFFAOYSA-N 1 0 412.505 3.639 50 0 HHAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020448780 558364006 /nfs/dbraw/zinc/36/40/06/558364006.db2.gz QMQCZWCEWAVKLI-JOCHJYFZSA-N 1 0 401.558 3.725 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)CSc3ccncc3)CC2)cc1 ZINC000012320431 558382298 /nfs/dbraw/zinc/38/22/98/558382298.db2.gz FFBMANRVVAROFH-UHFFFAOYSA-N 1 0 413.587 3.595 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000020533481 558384568 /nfs/dbraw/zinc/38/45/68/558384568.db2.gz ZIVHAMCYCQHPMW-NDWLXSOOSA-N 1 0 403.526 3.905 50 0 HHAARO CCCn1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)c1C ZINC000012430319 558404978 /nfs/dbraw/zinc/40/49/78/558404978.db2.gz KSLOZTCNBJBQOT-DEOSSOPVSA-N 1 0 410.562 3.738 50 0 HHAARO O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012433810 558407821 /nfs/dbraw/zinc/40/78/21/558407821.db2.gz KZBOBIXDIQYDLH-FQEVSTJZSA-N 1 0 421.589 3.981 50 0 HHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccc(N(C)C)cc2)CC1 ZINC000012440014 558411519 /nfs/dbraw/zinc/41/15/19/558411519.db2.gz SCKQPJZDXWQFTP-UHFFFAOYSA-N 1 0 409.574 3.788 50 0 HHAARO CCc1[nH]nc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cc(OC)ccc2F)C3)c1C ZINC000012446571 558414316 /nfs/dbraw/zinc/41/43/16/558414316.db2.gz JSBIGKXKYQFIOR-HSZRJFAPSA-N 1 0 414.525 3.557 50 0 HHAARO Cc1ccc(-n2cc(C[NH2+]CCSc3nnnn3C)c(-c3cccc(C)c3)n2)cc1 ZINC000012453191 558416364 /nfs/dbraw/zinc/41/63/64/558416364.db2.gz AEQCKBJAOWWMDV-UHFFFAOYSA-N 1 0 419.558 3.562 50 0 HHAARO O=C1CC[N@H+]([C@@H]2CCc3ccccc3C2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000012455918 558417027 /nfs/dbraw/zinc/41/70/27/558417027.db2.gz DQLYCLRTDREEFZ-LJQANCHMSA-N 1 0 412.917 3.661 50 0 HHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCCCC[N@@H+]2C)CC1 ZINC000012458935 558418550 /nfs/dbraw/zinc/41/85/50/558418550.db2.gz UUHZMHSFRCELPX-FQEVSTJZSA-N 1 0 420.981 3.929 50 0 HHAARO Cc1ccc(-n2cc(C[NH2+]CCN3CCC[C@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000020995168 558426513 /nfs/dbraw/zinc/42/65/13/558426513.db2.gz XCHNHACIKYPMIO-DEOSSOPVSA-N 1 0 404.558 3.702 50 0 HHAARO CCC[N@@H+](Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1)CC1CC1 ZINC000012572280 558429396 /nfs/dbraw/zinc/42/93/96/558429396.db2.gz SRKXJKCDHMNPOX-UHFFFAOYSA-N 1 0 411.590 3.799 50 0 HHAARO COc1ccc(OC)c(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)c1 ZINC000012576088 558430631 /nfs/dbraw/zinc/43/06/31/558430631.db2.gz JIVQHJQNKDBERD-UHFFFAOYSA-N 1 0 414.521 3.870 50 0 HHAARO Cc1ccc(C2(c3noc(CN(C)CCCC[NH+]4CCOCC4)n3)CCCC2)cc1 ZINC000012583164 558433185 /nfs/dbraw/zinc/43/31/85/558433185.db2.gz JASRNXKRVJLPJX-UHFFFAOYSA-N 1 0 412.578 3.782 50 0 HHAARO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](CN4CCCC4=O)C3)c(C)o2)c(OC)c1 ZINC000012588176 558434872 /nfs/dbraw/zinc/43/48/72/558434872.db2.gz HGZSBEBWQAVVOI-QGZVFWFLSA-N 1 0 413.518 3.502 50 0 HHAARO Cc1ccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cnc(N3CCOCC3)s2)cc1C ZINC000012589817 558435374 /nfs/dbraw/zinc/43/53/74/558435374.db2.gz OHHNYVVZHQDBPB-OAQYLSRUSA-N 1 0 423.586 3.949 50 0 HHAARO O=C(C1=CCCC1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012597265 558438202 /nfs/dbraw/zinc/43/82/02/558438202.db2.gz PWRYSUROUOUIMZ-VWLOTQADSA-N 1 0 408.586 3.984 50 0 HHAARO COc1ccc([C@H]2CCC[N@@H+]2CCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000021583399 558442233 /nfs/dbraw/zinc/44/22/33/558442233.db2.gz XXQFZURLBDLAHU-OAQYLSRUSA-N 1 0 408.498 3.917 50 0 HHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)Cc1csc(C)n1 ZINC000012704257 558448984 /nfs/dbraw/zinc/44/89/84/558448984.db2.gz PWDDMMDAUVYIOL-LJQANCHMSA-N 1 0 403.567 3.936 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CCc2ccc(OC)cc2)CC2CC[NH+](C)CC2)cc1 ZINC000012704488 558449287 /nfs/dbraw/zinc/44/92/87/558449287.db2.gz BIXZQGIXVHLEEP-UHFFFAOYSA-N 1 0 424.541 3.509 50 0 HHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012716507 558455362 /nfs/dbraw/zinc/45/53/62/558455362.db2.gz YIBMHRUILJZEHV-LNYGYFNRSA-N 1 0 414.571 3.540 50 0 HHAARO O[C@H](COCc1ccco1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022030021 558459086 /nfs/dbraw/zinc/45/90/86/558459086.db2.gz XJARCBWQBOGRIF-QHCPKHFHSA-N 1 0 406.526 3.564 50 0 HHAARO Cc1cc(Br)ccc1NC(=O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000022912190 558519590 /nfs/dbraw/zinc/51/95/90/558519590.db2.gz QKNADXGOWTURNR-UHFFFAOYSA-N 1 0 416.363 3.556 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000013595463 558546944 /nfs/dbraw/zinc/54/69/44/558546944.db2.gz GWXQBVBGOBNEOW-LJQANCHMSA-N 1 0 402.535 3.989 50 0 HHAARO CC[NH+]1CCC(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000023314118 558548787 /nfs/dbraw/zinc/54/87/87/558548787.db2.gz GEJCHRPDDSFHNP-UHFFFAOYSA-N 1 0 418.891 3.571 50 0 HHAARO C[C@H]1CN(Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CC[N@@H+]1C ZINC000023375475 558554740 /nfs/dbraw/zinc/55/47/40/558554740.db2.gz YWMVMYBOCBTWHG-KRWDZBQOSA-N 1 0 417.985 3.530 50 0 HHAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000023740531 558572775 /nfs/dbraw/zinc/57/27/75/558572775.db2.gz APKLDFMHBHOALK-FQEVSTJZSA-N 1 0 408.477 3.762 50 0 HHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000025331695 558638726 /nfs/dbraw/zinc/63/87/26/558638726.db2.gz PUBCMBYZBZXZTQ-NRFANRHFSA-N 1 0 421.570 3.913 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccsc1 ZINC000025814481 558650697 /nfs/dbraw/zinc/65/06/97/558650697.db2.gz MYUDBWJQWJSPSG-INIZCTEOSA-N 1 0 407.333 3.706 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000014531168 558655988 /nfs/dbraw/zinc/65/59/88/558655988.db2.gz XAVRYPQQOAKXTE-QGZVFWFLSA-N 1 0 400.592 3.526 50 0 HHAARO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1c(Cl)cccc1Cl ZINC000026134722 558656327 /nfs/dbraw/zinc/65/63/27/558656327.db2.gz PTBVPTQXAOCOIN-MRXNPFEDSA-N 1 0 410.301 3.696 50 0 HHAARO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1c(Cl)cccc1Cl ZINC000026134729 558656351 /nfs/dbraw/zinc/65/63/51/558656351.db2.gz PTBVPTQXAOCOIN-INIZCTEOSA-N 1 0 410.301 3.696 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1F)C2 ZINC000014539940 558659441 /nfs/dbraw/zinc/65/94/41/558659441.db2.gz QOZIIAMJDGWBMX-LJQANCHMSA-N 1 0 412.553 3.748 50 0 HHAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000022936110 558666393 /nfs/dbraw/zinc/66/63/93/558666393.db2.gz LFWMLIYDZZJGIT-UHFFFAOYSA-N 1 0 411.937 3.709 50 0 HHAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014741807 558667343 /nfs/dbraw/zinc/66/73/43/558667343.db2.gz JLSMGNVIKJEAEB-UHFFFAOYSA-N 1 0 410.518 3.520 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCN3C(C)=O)[NH+]2CCCCC2)cc1 ZINC000027668811 558680071 /nfs/dbraw/zinc/68/00/71/558680071.db2.gz XVKPIZLUVCVQIS-XMMPIXPASA-N 1 0 421.541 3.561 50 0 HHAARO COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000014976388 558689496 /nfs/dbraw/zinc/68/94/96/558689496.db2.gz NESXOLZCKDGGOM-UHFFFAOYSA-N 1 0 405.498 3.933 50 0 HHAARO CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C ZINC000014987372 558693055 /nfs/dbraw/zinc/69/30/55/558693055.db2.gz PYJPLSMVHOPREV-UHFFFAOYSA-N 1 0 424.524 3.581 50 0 HHAARO Cc1ccc(NC(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(Cl)c1 ZINC000072275389 558701788 /nfs/dbraw/zinc/70/17/88/558701788.db2.gz GRTIZTCPPUIXNK-UHFFFAOYSA-N 1 0 408.974 3.596 50 0 HHAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCc1cn[nH]c1 ZINC000015064661 558707502 /nfs/dbraw/zinc/70/75/02/558707502.db2.gz OFJSVHRGGGRAAO-UHFFFAOYSA-N 1 0 422.495 3.774 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015064586 558707604 /nfs/dbraw/zinc/70/76/04/558707604.db2.gz XMSDWRQGCTXPTI-LJQANCHMSA-N 1 0 402.608 3.604 50 0 HHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccc5c(c4)CCO5)CC3)on2)c1 ZINC000015070822 558712824 /nfs/dbraw/zinc/71/28/24/558712824.db2.gz VCERQRQDHAWSRJ-UHFFFAOYSA-N 1 0 420.509 3.855 50 0 HHAARO CCOC(=O)N1CCC([NH+]2CCC(CCc3ccccc3)(C(=O)OCC)CC2)CC1 ZINC000015071400 558712934 /nfs/dbraw/zinc/71/29/34/558712934.db2.gz MTQPTCHHGIDPRQ-UHFFFAOYSA-N 1 0 416.562 3.885 50 0 HHAARO O=C(CCC1CC[NH+](Cc2cccn2-c2nccs2)CC1)NCc1cccnc1 ZINC000015077469 558717122 /nfs/dbraw/zinc/71/71/22/558717122.db2.gz UEPPMNHROWRGKM-UHFFFAOYSA-N 1 0 409.559 3.637 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015077753 558717358 /nfs/dbraw/zinc/71/73/58/558717358.db2.gz HZYSJVHDQRMJPT-OAQYLSRUSA-N 1 0 423.529 3.875 50 0 HHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015078069 558717713 /nfs/dbraw/zinc/71/77/13/558717713.db2.gz GGRPZBIYIVCRSG-JOCHJYFZSA-N 1 0 417.575 3.824 50 0 HHAARO C[C@@H](c1ccon1)N(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000015080319 558718806 /nfs/dbraw/zinc/71/88/06/558718806.db2.gz MYQRBUQJIGTNMM-SFHVURJKSA-N 1 0 420.513 3.946 50 0 HHAARO CCOC(=O)N[C@@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C1CC1 ZINC000072289904 558724361 /nfs/dbraw/zinc/72/43/61/558724361.db2.gz PZJHNJOQXNLSSH-NRFANRHFSA-N 1 0 411.502 3.562 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[NH+]2[C@@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000004564065 558733590 /nfs/dbraw/zinc/73/35/90/558733590.db2.gz GHACAOSFFQCUQY-ROUUACIJSA-N 1 0 415.603 3.883 50 0 HHAARO O=C(NCc1cccc(F)c1)N1CC[C@@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000065266360 558745636 /nfs/dbraw/zinc/74/56/36/558745636.db2.gz QUPMZFRALGJECI-QHCPKHFHSA-N 1 0 422.508 3.563 50 0 HHAARO C[N@H+](CC(=O)NCCOc1ccc(Cl)cc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000072305183 558757766 /nfs/dbraw/zinc/75/77/66/558757766.db2.gz ZSRVCDKAMBISGS-UHFFFAOYSA-N 1 0 419.928 3.575 50 0 HHAARO COc1cc(C[N@H+](Cc2cc(=O)n3ccc(C)cc3n2)C2CC2)ccc1OC(F)F ZINC000016424081 558790627 /nfs/dbraw/zinc/79/06/27/558790627.db2.gz ZQKLTXIJXASYPG-UHFFFAOYSA-N 1 0 415.440 3.778 50 0 HHAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146229 558798104 /nfs/dbraw/zinc/79/81/04/558798104.db2.gz KWSJNFCNEDZEJS-PMACEKPBSA-N 1 0 400.494 3.607 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036340888 558799062 /nfs/dbraw/zinc/79/90/62/558799062.db2.gz OOVIEOKKDDWYOQ-QHCPKHFHSA-N 1 0 424.976 3.964 50 0 HHAARO CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016752096 558804997 /nfs/dbraw/zinc/80/49/97/558804997.db2.gz KUXGJWWFMTUQKK-JOCHJYFZSA-N 1 0 420.509 3.997 50 0 HHAARO OCCNc1nc2ccccc2n1C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000033014949 558834346 /nfs/dbraw/zinc/83/43/46/558834346.db2.gz RQENCHPGLHYUHA-SFHVURJKSA-N 1 0 419.481 3.673 50 0 HHAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@@H]1C[NH2+]C[C@H]1CCCO1 ZINC000013660096 558851558 /nfs/dbraw/zinc/85/15/58/558851558.db2.gz FOFDCQHEZOTDFJ-HLAWJBBLSA-N 1 0 400.906 3.580 50 0 HHAARO Cc1ccc2[nH]c(N3CCC(C(=O)N4CC[NH+](C5CCCCC5)CC4)CC3)nc2c1 ZINC000033070704 558866222 /nfs/dbraw/zinc/86/62/22/558866222.db2.gz HMPHQLCVVFPDSE-UHFFFAOYSA-N 1 0 409.578 3.565 50 0 HHAARO CCc1nc(-c2ccc(C)c(S(=O)(=O)NCC[C@H](C)[NH+]3CCCCCC3)c2)no1 ZINC000033086493 558870966 /nfs/dbraw/zinc/87/09/66/558870966.db2.gz ABMKKYVILDKSQZ-KRWDZBQOSA-N 1 0 420.579 3.540 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000055254898 558877613 /nfs/dbraw/zinc/87/76/13/558877613.db2.gz CICGXUFYWVAXFW-UHFFFAOYSA-N 1 0 408.951 3.821 50 0 HHAARO CC1(C)CC(NC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)CC(C)(C)[NH2+]1 ZINC000058046535 558896774 /nfs/dbraw/zinc/89/67/74/558896774.db2.gz HRSNCDNXFHNULU-UHFFFAOYSA-N 1 0 421.895 3.774 50 0 HHAARO NC(=O)Nc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000058139654 558901363 /nfs/dbraw/zinc/90/13/63/558901363.db2.gz IEUUIWUJMWGZAG-IBGZPJMESA-N 1 0 406.408 3.570 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2OC)CC1 ZINC000058156843 558902985 /nfs/dbraw/zinc/90/29/85/558902985.db2.gz LYAYIXMWXYRAFM-UHFFFAOYSA-N 1 0 418.541 3.775 50 0 HHAARO C[C@H]1C[NH+](CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000058227373 558913674 /nfs/dbraw/zinc/91/36/74/558913674.db2.gz CHICMEBTUXRVHK-GJZGRUSLSA-N 1 0 414.377 3.753 50 0 HHAARO C[NH+]1CCC(NCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn32)CC1 ZINC000019537737 558914009 /nfs/dbraw/zinc/91/40/09/558914009.db2.gz SWWWWWRIIOLIRC-UHFFFAOYSA-N 1 0 417.985 3.578 50 0 HHAARO O=C(NCc1ccccc1F)c1cccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000058394063 558924009 /nfs/dbraw/zinc/92/40/09/558924009.db2.gz KSEJXCVWULXCNC-NRFANRHFSA-N 1 0 424.520 3.848 50 0 HHAARO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC000058438709 558927142 /nfs/dbraw/zinc/92/71/42/558927142.db2.gz MDTVGMANYNHCIN-OAQYLSRUSA-N 1 0 420.513 3.504 50 0 HHAARO O=C(c1cc(-c2cncnc2)nc2ccc(F)cc21)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000063857098 558959848 /nfs/dbraw/zinc/95/98/48/558959848.db2.gz PFXFOHBXKAISPU-SFHVURJKSA-N 1 0 405.477 3.531 50 0 HHAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000072418259 558978194 /nfs/dbraw/zinc/97/81/94/558978194.db2.gz DDAYVCCBRHHILS-FQEVSTJZSA-N 1 0 405.498 3.677 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000067601955 558987652 /nfs/dbraw/zinc/98/76/52/558987652.db2.gz MMTGYFDTYWIXSE-UHFFFAOYSA-N 1 0 414.941 3.701 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000067603757 558988194 /nfs/dbraw/zinc/98/81/94/558988194.db2.gz ALOFOEFWSWBGEU-UHFFFAOYSA-N 1 0 401.514 3.501 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Cc1ccccc1 ZINC000023196755 559032272 /nfs/dbraw/zinc/03/22/72/559032272.db2.gz NROVTCSZEPHYCG-VWNXMTODSA-N 1 0 410.558 3.927 50 0 HHAARO CCCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 ZINC000082083821 559036633 /nfs/dbraw/zinc/03/66/33/559036633.db2.gz UMOOROUJGKDEKU-JOCHJYFZSA-N 1 0 412.622 3.939 50 0 HHAARO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082136771 559040257 /nfs/dbraw/zinc/04/02/57/559040257.db2.gz WQDZPJLPSBTMJQ-JOCHJYFZSA-N 1 0 412.622 3.987 50 0 HHAARO CC(C)(NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)c1ccccc1 ZINC000082137205 559040284 /nfs/dbraw/zinc/04/02/84/559040284.db2.gz MNXOOURNQVKVFP-QFIPXVFZSA-N 1 0 420.601 3.810 50 0 HHAARO O=C(c1cccc(-c2nccnc2N2CCCC2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033312992 559055013 /nfs/dbraw/zinc/05/50/13/559055013.db2.gz ZGOBDLGALBLUOG-UHFFFAOYSA-N 1 0 419.573 3.834 50 0 HHAARO Cn1cc([C@H](CNC(=O)c2ccccc2Br)[NH+](C)C)c2ccccc21 ZINC000023239953 559064780 /nfs/dbraw/zinc/06/47/80/559064780.db2.gz RSEAPDBJWONPIP-IBGZPJMESA-N 1 0 400.320 3.974 50 0 HHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000011424071 559075704 /nfs/dbraw/zinc/07/57/04/559075704.db2.gz GKSWGQMAOWFPGD-UHFFFAOYSA-N 1 0 407.562 3.857 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000095497632 559081804 /nfs/dbraw/zinc/08/18/04/559081804.db2.gz NAEAKXXMQKOGGR-GOSISDBHSA-N 1 0 403.954 3.714 50 0 HHAARO O[C@@H](Cn1ccc2ccccc21)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095626627 559087599 /nfs/dbraw/zinc/08/75/99/559087599.db2.gz CIRWJIBTDIZRSF-GOSISDBHSA-N 1 0 401.913 3.613 50 0 HHAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000046467871 559147313 /nfs/dbraw/zinc/14/73/13/559147313.db2.gz NRIAKKRKGDTZKI-LJQANCHMSA-N 1 0 413.522 3.506 50 0 HHAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccccc1 ZINC000023362921 559173249 /nfs/dbraw/zinc/17/32/49/559173249.db2.gz HCBOEDNCMYVAOX-GCJKJVERSA-N 1 0 401.501 3.566 50 0 HHAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)cc1 ZINC000035372877 559179046 /nfs/dbraw/zinc/17/90/46/559179046.db2.gz YIKZXWRNVWTARH-UHFFFAOYSA-N 1 0 422.554 3.690 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738179 559179494 /nfs/dbraw/zinc/17/94/94/559179494.db2.gz RLPOISLZBJSKRE-GHTZIAJQSA-N 1 0 411.933 3.646 50 0 HHAARO CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](CC[NH+](C)C)Cc1ccccc1 ZINC000004872552 559194606 /nfs/dbraw/zinc/19/46/06/559194606.db2.gz KXVQGLRGUCNYMM-XZOQPEGZSA-N 1 0 415.622 3.777 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004936637 559211856 /nfs/dbraw/zinc/21/18/56/559211856.db2.gz KDYBMDISUGSWQD-ROUUACIJSA-N 1 0 415.603 3.598 50 0 HHAARO CCCC[N@H+](CC)CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936700 559211909 /nfs/dbraw/zinc/21/19/09/559211909.db2.gz BEABIJGBRSWTAA-UHFFFAOYSA-N 1 0 403.592 3.742 50 0 HHAARO CCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1 ZINC000005043103 559236231 /nfs/dbraw/zinc/23/62/31/559236231.db2.gz XEMLTXHUHFRPMJ-UHFFFAOYSA-N 1 0 415.534 3.796 50 0 HHAARO Cc1nc(C)c(Cc2ccccc2)c(N2CCN(C(=O)CCc3ccccc3)CC2)n1 ZINC000033742483 559239071 /nfs/dbraw/zinc/23/90/71/559239071.db2.gz YZRVFFRPQDTFRM-UHFFFAOYSA-N 1 0 414.553 3.966 50 0 HHAARO C[NH+](C)CCN(C(=O)c1cc2ccccc2oc1=O)c1nc2ccc(F)cc2s1 ZINC000005115250 559247277 /nfs/dbraw/zinc/24/72/77/559247277.db2.gz VDRAMYFWFBSDAE-UHFFFAOYSA-N 1 0 411.458 3.750 50 0 HHAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415026 559251027 /nfs/dbraw/zinc/25/10/27/559251027.db2.gz RNSYTVZHTBTVMV-DENIHFKCSA-N 1 0 404.599 3.742 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCCCC1 ZINC000011713325 559254585 /nfs/dbraw/zinc/25/45/85/559254585.db2.gz ICAVSBVQMRPOEZ-GOSISDBHSA-N 1 0 414.377 3.740 50 0 HHAARO CC(C)CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCC[NH+](C)C)cc1 ZINC000037555591 559254953 /nfs/dbraw/zinc/25/49/53/559254953.db2.gz WFIYFNJTZYPRSP-UHFFFAOYSA-N 1 0 413.537 3.625 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1 ZINC000100696404 559257365 /nfs/dbraw/zinc/25/73/65/559257365.db2.gz KWPVOQNWZGESIV-INIZCTEOSA-N 1 0 423.517 3.611 50 0 HHAARO COc1ccc2[nH]c(C[NH+]3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)c(C)c2c1 ZINC000011844286 559261715 /nfs/dbraw/zinc/26/17/15/559261715.db2.gz FWAVOAPJCXICKG-HXUWFJFHSA-N 1 0 413.562 3.772 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)n(C(C)(C)C)n1 ZINC000253417379 559280437 /nfs/dbraw/zinc/28/04/37/559280437.db2.gz SBSQIYPSGJBGMP-IDHHARJASA-N 1 0 421.586 3.509 50 0 HHAARO CC1(C)CC(NC(=O)c2cc3cc(Br)ccc3oc2=O)CC(C)(C)[NH2+]1 ZINC000004593585 560198706 /nfs/dbraw/zinc/19/87/06/560198706.db2.gz VXQMIYJIBBFRPR-UHFFFAOYSA-N 1 0 407.308 3.595 50 0 biogenic,in-vitro HHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304289 560562976 /nfs/dbraw/zinc/56/29/76/560562976.db2.gz VJFQHLMHPYPDGT-LJQANCHMSA-N 1 0 420.557 3.685 50 0 HHAARO Cc1cc(C)n(-c2nc3sc4c(c3c(NCCC[NH+](C)C)n2)CC(C)(C)OC4)n1 ZINC000005576810 560624728 /nfs/dbraw/zinc/62/47/28/560624728.db2.gz LQWSDUFXIJMBAJ-UHFFFAOYSA-N 1 0 414.579 3.709 50 0 HHAARO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000048237365 568433104 /nfs/dbraw/zinc/43/31/04/568433104.db2.gz DILAHKWSJKHIAP-HUUCEWRRSA-N 1 0 415.347 3.984 50 0 HHAARO COc1cc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(OC)c1Br ZINC000048290546 568435249 /nfs/dbraw/zinc/43/52/49/568435249.db2.gz ZRJDABAJHRDODY-UHFFFAOYSA-N 1 0 413.356 3.659 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cc2)C1 ZINC000048310993 568436761 /nfs/dbraw/zinc/43/67/61/568436761.db2.gz XMZSTLXYXUFJAL-PMACEKPBSA-N 1 0 417.557 3.734 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3ccc(Cn4cncn4)cc3)cc2)C1 ZINC000048310990 568436788 /nfs/dbraw/zinc/43/67/88/568436788.db2.gz XMZSTLXYXUFJAL-BGYRXZFFSA-N 1 0 417.557 3.734 50 0 HHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(I)c2)C1 ZINC000048313416 568439200 /nfs/dbraw/zinc/43/92/00/568439200.db2.gz CAMRPBCXZPQFOW-CQSZACIVSA-N 1 0 400.304 3.533 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(OC)c(OC(F)F)c2)[NH+]2CCCC2)cc1 ZINC000048354721 568441164 /nfs/dbraw/zinc/44/11/64/568441164.db2.gz ZOOSJDKWEMACAE-SFHVURJKSA-N 1 0 420.456 3.872 50 0 HHAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@H](O)c1ccccc1 ZINC000048353521 568441179 /nfs/dbraw/zinc/44/11/79/568441179.db2.gz FLAKRGKWKBOZAI-UYAOXDASSA-N 1 0 410.543 3.843 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCNC(=O)c3ccccc3)cc2)C1 ZINC000048361674 568441326 /nfs/dbraw/zinc/44/13/26/568441326.db2.gz JMWBNKFKLAKMHT-WOJBJXKFSA-N 1 0 407.558 3.601 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(Cn3cncn3)cc2)C1 ZINC000048367440 568442012 /nfs/dbraw/zinc/44/20/12/568442012.db2.gz LZPAJFUBQRJLNG-WOJBJXKFSA-N 1 0 417.557 3.734 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000048367997 568442113 /nfs/dbraw/zinc/44/21/13/568442113.db2.gz LLNICSWBFMRXIC-RPWUZVMVSA-N 1 0 403.526 3.904 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000048373995 568442351 /nfs/dbraw/zinc/44/23/51/568442351.db2.gz RVCSGXJZYCBWOW-VAVDGXSSSA-N 1 0 412.599 3.973 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000048884834 568443502 /nfs/dbraw/zinc/44/35/02/568443502.db2.gz NUNLNNDPBACVJA-ROUUACIJSA-N 1 0 413.587 3.662 50 0 HHAARO CC(C)[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000049605832 568452561 /nfs/dbraw/zinc/45/25/61/568452561.db2.gz VKQCHELVOVIMRE-QHCPKHFHSA-N 1 0 400.494 3.633 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000031662843 568505233 /nfs/dbraw/zinc/50/52/33/568505233.db2.gz PNIAURQIGNOZNL-RTBURBONSA-N 1 0 413.484 3.840 50 0 HHAARO CCc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2ccco2)cc1 ZINC000020107734 568588109 /nfs/dbraw/zinc/58/81/09/568588109.db2.gz CNTJWLOGVYTEBJ-UHFFFAOYSA-N 1 0 400.592 3.679 50 0 HHAARO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000095276448 568599156 /nfs/dbraw/zinc/59/91/56/568599156.db2.gz CPORXCVYGUQGHC-UHFFFAOYSA-N 1 0 415.537 3.947 50 0 HHAARO O=C(OC[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1COC(=O)c1ccoc1)c1ccoc1 ZINC000095450732 568614297 /nfs/dbraw/zinc/61/42/97/568614297.db2.gz MQKWBSWVQUYDSV-NHCUHLMSSA-N 1 0 409.438 3.635 50 0 HHAARO Cc1c(C(=O)NCC[NH+](C)C)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2 ZINC000020490065 568614449 /nfs/dbraw/zinc/61/44/49/568614449.db2.gz DBDAPCGLMSTJRZ-UHFFFAOYSA-N 1 0 412.921 3.543 50 0 HHAARO CCOc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)ccc1OCc1c(F)cccc1Cl ZINC000095453834 568615825 /nfs/dbraw/zinc/61/58/25/568615825.db2.gz DIKZDIZLNIONAE-OAHLLOKOSA-N 1 0 406.885 3.764 50 0 HHAARO CC1CC[NH+](CCc2cccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2)CC1 ZINC000095455903 568617453 /nfs/dbraw/zinc/61/74/53/568617453.db2.gz CNZGTFUPVNAWLQ-UHFFFAOYSA-N 1 0 418.541 3.769 50 0 HHAARO CCC[C@H]1CN(C(=O)c2cnn(-c3ccccn3)c2CC)CC[N@@H+]1Cc1ccccc1 ZINC000095463284 568621969 /nfs/dbraw/zinc/62/19/69/568621969.db2.gz XBWRVUKLPLISAR-NRFANRHFSA-N 1 0 417.557 3.956 50 0 HHAARO COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C(C)C ZINC000020677605 568639821 /nfs/dbraw/zinc/63/98/21/568639821.db2.gz ADQPQACKNGBYOX-UHFFFAOYSA-N 1 0 421.545 3.626 50 0 HHAARO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000020946226 568653486 /nfs/dbraw/zinc/65/34/86/568653486.db2.gz DLYLJSXCCPKHIC-UHFFFAOYSA-N 1 0 400.972 3.625 50 0 HHAARO O=C(c1cnn(-c2cccc(F)c2)c1-n1cccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020980490 568654491 /nfs/dbraw/zinc/65/44/91/568654491.db2.gz PZBDOKGAVJOSFN-UHFFFAOYSA-N 1 0 421.520 3.893 50 0 HHAARO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000095941463 568662014 /nfs/dbraw/zinc/66/20/14/568662014.db2.gz FLZVHNUJTMWTCM-HIFRSBDPSA-N 1 0 408.296 3.711 50 0 HHAARO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000095993808 568678473 /nfs/dbraw/zinc/67/84/73/568678473.db2.gz SNTXNOXRXVFQHO-KRWDZBQOSA-N 1 0 412.361 3.725 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccc(OC)c1 ZINC000021212748 568683418 /nfs/dbraw/zinc/68/34/18/568683418.db2.gz MGXVKLIGUDVIRS-UHFFFAOYSA-N 1 0 406.530 3.679 50 0 HHAARO CCOc1c(Br)cc(C[NH2+][C@H](C)Cn2ccnc2)cc1Br ZINC000030909754 568687556 /nfs/dbraw/zinc/68/75/56/568687556.db2.gz LIQGLLWUYFGAHO-LLVKDONJSA-N 1 0 417.145 3.985 50 0 HHAARO O=C(C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O)NCCC[NH+]1CCCC1 ZINC000021530391 568710498 /nfs/dbraw/zinc/71/04/98/568710498.db2.gz IRLHVBBJWAKGMY-QFIPXVFZSA-N 1 0 409.505 3.515 50 0 HHAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)c1 ZINC000229428135 568713940 /nfs/dbraw/zinc/71/39/40/568713940.db2.gz BUIGRYTWMJQJQY-FRQCXROJSA-N 1 0 418.559 3.531 50 0 HHAARO CCOC(=O)Nc1ccc2c(C[N@H+](C)Cc3ccc4c(c3)OCCO4)cc(=O)oc2c1 ZINC000018941813 568743807 /nfs/dbraw/zinc/74/38/07/568743807.db2.gz UYJHDKTYHOEFFZ-UHFFFAOYSA-N 1 0 424.453 3.765 50 0 HHAARO CC[C@H](C)/N=c1/ccc2c(cc1O)[C@@H]([NH2+]C)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000025073669 568748440 /nfs/dbraw/zinc/74/84/40/568748440.db2.gz MVPOWILPNMXNGS-KSSFIOAISA-N 1 0 412.530 3.991 50 0 biogenic HHAARO CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3cccc(F)c3)s2)CC1 ZINC000021880802 568757146 /nfs/dbraw/zinc/75/71/46/568757146.db2.gz VTQQBMRQRQKIEZ-UHFFFAOYSA-N 1 0 400.527 3.612 50 0 HHAARO CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1cccc(F)c1 ZINC000052678020 568775597 /nfs/dbraw/zinc/77/55/97/568775597.db2.gz WKBXSUTUQWSJND-SFHVURJKSA-N 1 0 411.521 3.727 50 0 HHAARO CCOc1ccc(Oc2cc(CNC(=O)NCCC[NH+](CC)CC)ccn2)cc1 ZINC000056951089 568822143 /nfs/dbraw/zinc/82/21/43/568822143.db2.gz UGONPBWWVDSFDW-UHFFFAOYSA-N 1 0 400.523 3.804 50 0 HHAARO C[N@H+](CCOc1ccc(Cl)cc1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000057270718 568825525 /nfs/dbraw/zinc/82/55/25/568825525.db2.gz ZZXYQVPCNGHOFK-UHFFFAOYSA-N 1 0 422.710 3.621 50 0 HHAARO Cc1nn(C)c2nc(C)c(C(=O)NC[C@H](c3cccs3)[NH+]3CCC(C)CC3)cc12 ZINC000029754311 568828949 /nfs/dbraw/zinc/82/89/49/568828949.db2.gz VNCUEGVMYNPBHM-LJQANCHMSA-N 1 0 411.575 3.850 50 0 HHAARO O=C(CSc1nc2ccccc2n1C(F)F)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012544433 568849717 /nfs/dbraw/zinc/84/97/17/568849717.db2.gz KXQNVGIODCSAQP-INIZCTEOSA-N 1 0 416.497 3.914 50 0 HHAARO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000003061442 568852726 /nfs/dbraw/zinc/85/27/26/568852726.db2.gz FNIHLGZDZGVADG-NZCLQKMISA-N 1 0 417.619 3.687 50 0 HHAARO Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc2)cc1 ZINC000012557200 568856142 /nfs/dbraw/zinc/85/61/42/568856142.db2.gz ZFRPUVOKVULLFI-UHFFFAOYSA-N 1 0 417.575 3.644 50 0 HHAARO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058011051 568875920 /nfs/dbraw/zinc/87/59/20/568875920.db2.gz INENECQXBFFEDY-CTNGQTDRSA-N 1 0 413.587 3.673 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NCCC[NH+](C)C)cc1 ZINC000003316059 568879367 /nfs/dbraw/zinc/87/93/67/568879367.db2.gz AIPGMQHAMRSRQO-NTCAYCPXSA-N 1 0 404.514 3.629 50 0 HHAARO CC[NH+](CC)CCn1c(C)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000001293569 568913041 /nfs/dbraw/zinc/91/30/41/568913041.db2.gz SXZDNVICNGCSCI-UHFFFAOYSA-N 1 0 400.548 3.508 50 0 HHAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2C)C(C)C)cc1 ZINC000083823590 568917689 /nfs/dbraw/zinc/91/76/89/568917689.db2.gz JJPGZUGKLDPZKO-QFIPXVFZSA-N 1 0 402.560 3.886 50 0 HHAARO CC[C@@H](CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)[NH+]1CCCC1 ZINC000031229180 568920152 /nfs/dbraw/zinc/92/01/52/568920152.db2.gz VKXDKVCGKSSZRP-FQEVSTJZSA-N 1 0 412.530 3.887 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000031333850 568923958 /nfs/dbraw/zinc/92/39/58/568923958.db2.gz ZTBJNYNPBSDCMN-UHFFFAOYSA-N 1 0 414.933 3.825 50 0 HHAARO C[C@@]1(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(Br)Br ZINC000004028003 568934053 /nfs/dbraw/zinc/93/40/53/568934053.db2.gz AUIXAFHEMKPMJV-SCRDCRAPSA-N 1 0 409.162 3.690 50 0 biogenic HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccncc1 ZINC000004271559 568956948 /nfs/dbraw/zinc/95/69/48/568956948.db2.gz GBQGIXVXJLZXLR-LJQANCHMSA-N 1 0 411.889 3.728 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)c2noc3c2CSc2ccccc2-3)CC1 ZINC000015673990 568963022 /nfs/dbraw/zinc/96/30/22/568963022.db2.gz ZFHRDLUVEGPBHS-UHFFFAOYSA-N 1 0 406.511 3.951 50 0 HHAARO CC[NH+]1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000015679731 568966800 /nfs/dbraw/zinc/96/68/00/568966800.db2.gz OKURRJYNJJFCSF-UHFFFAOYSA-N 1 0 411.502 3.942 50 0 HHAARO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000008003941 568967724 /nfs/dbraw/zinc/96/77/24/568967724.db2.gz LQVNRWMYVZXQFK-HXUWFJFHSA-N 1 0 401.873 3.985 50 0 HHAARO COc1cccc([C@@H](C[NH2+][C@@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323982 568990655 /nfs/dbraw/zinc/99/06/55/568990655.db2.gz HFXROQJCCNMMGU-LAUBAEHRSA-N 1 0 421.541 3.918 50 0 HHAARO COc1ccc(-c2noc(NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)n2)cc1 ZINC000015770787 568997895 /nfs/dbraw/zinc/99/78/95/568997895.db2.gz WQQXNONIQQZSOK-UHFFFAOYSA-N 1 0 411.481 3.509 50 0 HHAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787276 569007760 /nfs/dbraw/zinc/00/77/60/569007760.db2.gz WOLMUUARFJXJGB-NRFANRHFSA-N 1 0 413.949 3.855 50 0 HHAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000025304298 569033515 /nfs/dbraw/zinc/03/35/15/569033515.db2.gz SFZKRBDTGDINFB-YLJYHZDGSA-N 1 0 402.922 3.568 50 0 HHAARO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000026567507 569034392 /nfs/dbraw/zinc/03/43/92/569034392.db2.gz VXCPBKOVOJJIRL-UHFFFAOYSA-N 1 0 418.545 3.505 50 0 HHAARO O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCC[NH+]1CCCCC1 ZINC000035399172 569035282 /nfs/dbraw/zinc/03/52/82/569035282.db2.gz HWPZLSLKFILYLA-UHFFFAOYSA-N 1 0 406.958 3.576 50 0 HHAARO Cc1ccc(CSc2nc3ccc(C(=O)NCC[NH+]4CCCC4)cc3n2C)cc1 ZINC000006748624 569041727 /nfs/dbraw/zinc/04/17/27/569041727.db2.gz BSBOFJVEFHMXAX-UHFFFAOYSA-N 1 0 408.571 4.000 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C ZINC000012997977 569048357 /nfs/dbraw/zinc/04/83/57/569048357.db2.gz KOPCPMBALLZWBJ-UHFFFAOYSA-N 1 0 405.546 3.926 50 0 HHAARO CS[C@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@H]1[NH+](C)C ZINC000089314154 569058510 /nfs/dbraw/zinc/05/85/10/569058510.db2.gz IKLPCNRHVPHPLB-WBVHZDCISA-N 1 0 411.600 3.724 50 0 HHAARO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199270 569059076 /nfs/dbraw/zinc/05/90/76/569059076.db2.gz XXEFNKUKVVUJPS-JFSTXAPLSA-N 1 0 403.530 3.507 50 0 HHAARO COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)c1 ZINC000035870719 569064037 /nfs/dbraw/zinc/06/40/37/569064037.db2.gz BNOFXMNAWAIVGP-LADGPHEKSA-N 1 0 405.542 3.939 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644055 569076247 /nfs/dbraw/zinc/07/62/47/569076247.db2.gz QBRFUQOQKDMYFZ-UXHICEINSA-N 1 0 412.603 3.786 50 0 HHAARO O[C@@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102557 569092102 /nfs/dbraw/zinc/09/21/02/569092102.db2.gz QSXKVNGHHPSOIW-OAQYLSRUSA-N 1 0 409.457 3.997 50 0 HHAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145901 569098435 /nfs/dbraw/zinc/09/84/35/569098435.db2.gz FIKUOGRGTTXSKB-VXKWHMMOSA-N 1 0 400.494 3.607 50 0 HHAARO CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)C2CCC2)ccc1N(C)C ZINC000006722338 569099495 /nfs/dbraw/zinc/09/94/95/569099495.db2.gz XMVXYORZQKMKKK-UHFFFAOYSA-N 1 0 416.610 3.818 50 0 HHAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1)C1CCCCC1 ZINC000064847077 569108344 /nfs/dbraw/zinc/10/83/44/569108344.db2.gz USQTWVVXZXLVSK-UHFFFAOYSA-N 1 0 420.642 3.902 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000006751929 569110612 /nfs/dbraw/zinc/11/06/12/569110612.db2.gz OSJADQUVHOOIRF-IBGZPJMESA-N 1 0 410.562 3.507 50 0 HHAARO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000169681976 569133905 /nfs/dbraw/zinc/13/39/05/569133905.db2.gz PCQKJBXXDHGCIA-FPOVZHCZSA-N 1 0 417.475 3.705 50 0 HHAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](CC(C)(C)O)CC2)c1Cc1ccccc1 ZINC000036316571 569135172 /nfs/dbraw/zinc/13/51/72/569135172.db2.gz WAKVBWZNOMZMBA-UHFFFAOYSA-N 1 0 416.569 3.936 50 0 HHAARO Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000036340578 569141607 /nfs/dbraw/zinc/14/16/07/569141607.db2.gz CQKKNCMBIQKOPG-HXUWFJFHSA-N 1 0 416.569 3.854 50 0 HHAARO Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000036340523 569141638 /nfs/dbraw/zinc/14/16/38/569141638.db2.gz PUOVKHBGDUTWFB-HXUWFJFHSA-N 1 0 416.569 3.854 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)CC1 ZINC000036343702 569142366 /nfs/dbraw/zinc/14/23/66/569142366.db2.gz NOYLKXCIBZLHJI-QFIPXVFZSA-N 1 0 410.949 3.655 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343536 569143068 /nfs/dbraw/zinc/14/30/68/569143068.db2.gz FBETVJZYXYHBBY-RUZDIDTESA-N 1 0 418.585 3.927 50 0 HHAARO CCC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[NH+]4CCCCC4)cc3)ccc21 ZINC000065026854 569155838 /nfs/dbraw/zinc/15/58/38/569155838.db2.gz YLXOIABACBWYKH-UHFFFAOYSA-N 1 0 405.542 3.868 50 0 HHAARO CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCCCC2)[C@@H]1c1cccs1 ZINC000006875515 569163082 /nfs/dbraw/zinc/16/30/82/569163082.db2.gz CSTVYIXVUKCMRA-RTWAWAEBSA-N 1 0 411.571 3.651 50 0 HHAARO Cc1ccc(Oc2nccnc2SCC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000065111031 569178844 /nfs/dbraw/zinc/17/88/44/569178844.db2.gz XSIRUYZQJGHBAQ-KRWDZBQOSA-N 1 0 400.548 3.660 50 0 HHAARO c1ccc(OCc2nc(-c3ccc4c(c3)nnn4CC[NH+]3CCCCC3)no2)cc1 ZINC000065255018 569207620 /nfs/dbraw/zinc/20/76/20/569207620.db2.gz YSPAPZGOQZTCNI-UHFFFAOYSA-N 1 0 404.474 3.546 50 0 HHAARO c1ccc(C[NH+]2CCN(c3nnc(-c4nc(C5CC5)no4)c4ccccc43)CC2)cc1 ZINC000065258242 569210115 /nfs/dbraw/zinc/21/01/15/569210115.db2.gz PDWWJQWJCNQERB-UHFFFAOYSA-N 1 0 412.497 3.879 50 0 HHAARO Cc1oc2c(c1C(=O)NCCC[NH+]1CCCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291985 569217703 /nfs/dbraw/zinc/21/77/03/569217703.db2.gz XHMQDCRBSCUWGI-UHFFFAOYSA-N 1 0 413.537 3.891 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C[NH+](CC)CC)c2)cc1 ZINC000036763424 569227315 /nfs/dbraw/zinc/22/73/15/569227315.db2.gz GTLPZQUTNRKUPM-UHFFFAOYSA-N 1 0 417.575 3.811 50 0 HHAARO CCN(C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000065552837 569235312 /nfs/dbraw/zinc/23/53/12/569235312.db2.gz MMEXLVXNHNVHNC-UHFFFAOYSA-N 1 0 415.484 3.620 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604701 569237181 /nfs/dbraw/zinc/23/71/81/569237181.db2.gz GENMROSVISJXQZ-WMZHIEFXSA-N 1 0 410.537 3.788 50 0 HHAARO Cc1csc(CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC000170617682 569247734 /nfs/dbraw/zinc/24/77/34/569247734.db2.gz KDEJBRWCAPVMCZ-IRXDYDNUSA-N 1 0 411.493 3.811 50 0 HHAARO CCNC(=O)NC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444159 569285967 /nfs/dbraw/zinc/28/59/67/569285967.db2.gz GVTCJQIUCKSRAQ-SIKLNZKXSA-N 1 0 423.513 3.572 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@](C)(C[NH3+])C3CC3)cc12 ZINC000237635324 569291547 /nfs/dbraw/zinc/29/15/47/569291547.db2.gz GBYPSHXGKGLZJI-HXUWFJFHSA-N 1 0 402.951 3.965 50 0 HHAARO C[NH+](C)CCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3 ZINC000002218529 569312052 /nfs/dbraw/zinc/31/20/52/569312052.db2.gz IUVSNLQWTKOREC-UHFFFAOYSA-N 1 0 400.548 3.732 50 0 HHAARO O=C(C1CCCC1)N1CCC2(CC1)C[C@@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820116 569320876 /nfs/dbraw/zinc/32/08/76/569320876.db2.gz RRYKIFDPYYVJPD-QHCPKHFHSA-N 1 0 411.590 3.539 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000054815333 569323714 /nfs/dbraw/zinc/32/37/14/569323714.db2.gz BNIOEDWIRKWBGI-KRWDZBQOSA-N 1 0 410.356 3.692 50 0 HHAARO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)C2=O)c(C)c1 ZINC000253429225 569368795 /nfs/dbraw/zinc/36/87/95/569368795.db2.gz MKESYZTUMLPMOO-ZCNNSNEGSA-N 1 0 415.578 3.952 50 0 HHAARO CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002415601 569397299 /nfs/dbraw/zinc/39/72/99/569397299.db2.gz NKERNKDRFHKBAR-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO CC1(C)CCC[C@@H]1[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000079022067 569424399 /nfs/dbraw/zinc/42/43/99/569424399.db2.gz FZTZZRQRGDKMDN-NRFANRHFSA-N 1 0 400.563 3.869 50 0 HHAARO C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CCC2(C1)CCCCCC2 ZINC000079024440 569424655 /nfs/dbraw/zinc/42/46/55/569424655.db2.gz DPJXRJIYNUNUNA-CQSZACIVSA-N 1 0 411.468 3.593 50 0 HHAARO COCCn1cc(CCCC(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079193249 569429355 /nfs/dbraw/zinc/42/93/55/569429355.db2.gz PLWPDPZUFSROQM-NZQKXSOJSA-N 1 0 411.590 3.991 50 0 biogenic HHAARO Cc1nc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2n1CCC[NH+](C)C ZINC000079488903 569432339 /nfs/dbraw/zinc/43/23/39/569432339.db2.gz ICRNNZRUUGVUHU-UHFFFAOYSA-N 1 0 403.530 3.969 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1C ZINC000008901316 571144607 /nfs/dbraw/zinc/14/46/07/571144607.db2.gz YHDXFRQXYIGQSG-LJQANCHMSA-N 1 0 408.589 3.961 50 0 HHAARO CN(Cc1ccccc1Br)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000040104075 571164935 /nfs/dbraw/zinc/16/49/35/571164935.db2.gz LAIKCWNVRASXIR-UHFFFAOYSA-N 1 0 417.351 3.865 50 0 HHAARO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000040121104 571176880 /nfs/dbraw/zinc/17/68/80/571176880.db2.gz UHHCTXZRVNDXIP-QGZVFWFLSA-N 1 0 419.447 3.754 50 0 HHAARO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000040121005 571176919 /nfs/dbraw/zinc/17/69/19/571176919.db2.gz JNYISMDPEKAOFB-QGZVFWFLSA-N 1 0 419.447 3.754 50 0 HHAARO Cn1ccnc1COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000040144356 571194728 /nfs/dbraw/zinc/19/47/28/571194728.db2.gz LJFRKXBWXVBWBJ-UHFFFAOYSA-N 1 0 404.514 3.525 50 0 HHAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)c1 ZINC000244969027 571210849 /nfs/dbraw/zinc/21/08/49/571210849.db2.gz GUWCLVJGBGJEOW-NRFANRHFSA-N 1 0 411.512 3.861 50 0 HHAARO O=S(=O)(NCC1CC[NH+](C2CCSCC2)CC1)c1cccc2ccccc21 ZINC000245060739 571212757 /nfs/dbraw/zinc/21/27/57/571212757.db2.gz PZABUSSURAYBOG-UHFFFAOYSA-N 1 0 404.601 3.726 50 0 HHAARO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000069622202 571235100 /nfs/dbraw/zinc/23/51/00/571235100.db2.gz ZWFPOEPFZRSPLP-HSZRJFAPSA-N 1 0 406.574 3.788 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000009239974 571240699 /nfs/dbraw/zinc/24/06/99/571240699.db2.gz XQSPPVWAGLHHRO-UHFFFAOYSA-N 1 0 402.442 3.857 50 0 HHAARO CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCC[NH+]1CCC(C)CC1 ZINC000009269122 571244174 /nfs/dbraw/zinc/24/41/74/571244174.db2.gz TWRSZKXNKOTIQY-UHFFFAOYSA-N 1 0 405.564 3.613 50 0 HHAARO CCc1cc(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(Cl)cc12 ZINC000009487360 571262511 /nfs/dbraw/zinc/26/25/11/571262511.db2.gz DTYDZTAXWLKUSS-UHFFFAOYSA-N 1 0 420.937 3.813 50 0 HHAARO COc1ccc(C(OC[C@@H](O)C[NH2+]CCCOC(C)C)c2ccc(OC)cc2)cc1 ZINC000009550251 571268190 /nfs/dbraw/zinc/26/81/90/571268190.db2.gz KPTDYHAOPQSOIY-NRFANRHFSA-N 1 0 417.546 3.575 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)cc1 ZINC000009604202 571273035 /nfs/dbraw/zinc/27/30/35/571273035.db2.gz REOYSBZWSNKQPZ-UHFFFAOYSA-N 1 0 419.453 3.570 50 0 HHAARO COc1cc(C(=O)NC[C@H](c2cccc3ccccc32)[NH+](C)C)cc(OC)c1OC ZINC000010330400 571300521 /nfs/dbraw/zinc/30/05/21/571300521.db2.gz XTZAHEAFCSJKAO-HXUWFJFHSA-N 1 0 408.498 3.898 50 0 HHAARO COc1ccccc1[C@H]1[C@H]2C[N@H+](Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033690010 571316264 /nfs/dbraw/zinc/31/62/64/571316264.db2.gz YOBAKVZRCNETJJ-UPVQGACJSA-N 1 0 421.504 3.621 50 0 HHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@H](c1cccc(F)c1)C2 ZINC000034898531 571316684 /nfs/dbraw/zinc/31/66/84/571316684.db2.gz CJRICDWFFAZKLB-MJGOQNOKSA-N 1 0 400.542 3.993 50 0 HHAARO C[C@@]1(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011871109 962203694 /nfs/dbraw/zinc/20/36/94/962203694.db2.gz AOFFHQCPIBKFEK-QHCPKHFHSA-N 1 0 422.554 3.952 50 0 HHAARO CC(C)C[N@@H+]1CC[C@H](CN(C)C(=O)c2cc(COc3ccc4ncccc4c3)on2)C1 ZINC000011874650 962204655 /nfs/dbraw/zinc/20/46/55/962204655.db2.gz IJBYVXJTAFJFMH-GOSISDBHSA-N 1 0 422.529 3.852 50 0 HHAARO COC(=O)c1ccc(CN2CC[N@@H+]([C@H](C)CCc3ccc(OC)cc3)CCC2=O)cc1 ZINC000011909246 962207335 /nfs/dbraw/zinc/20/73/35/962207335.db2.gz IYDGCZIUUHIJQP-LJQANCHMSA-N 1 0 424.541 3.537 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@](CCc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000012001068 962221729 /nfs/dbraw/zinc/22/17/29/962221729.db2.gz FQEDZEOLDOHLJN-DEOSSOPVSA-N 1 0 416.562 3.885 50 0 HHAARO O=C(CC[C@@H]1CCC[N@@H+](C2CCSCC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012053089 962229555 /nfs/dbraw/zinc/22/95/55/962229555.db2.gz YUTXLIBAZWRYQA-QFIPXVFZSA-N 1 0 415.647 3.719 50 0 HHAARO Fc1cccc(COc2nc3cc4c(cc3cc2C[NH2+]CCn2ccnc2)OCO4)c1 ZINC000012150915 962246523 /nfs/dbraw/zinc/24/65/23/962246523.db2.gz UDVAOIZNOZTWNE-UHFFFAOYSA-N 1 0 420.444 3.668 50 0 HHAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 ZINC000012194780 962252462 /nfs/dbraw/zinc/25/24/62/962252462.db2.gz GNZQGDISSJVYHI-GOSISDBHSA-N 1 0 405.498 3.581 50 0 HHAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@@H]2C(=O)N2CCc3ccccc3C2)CC1 ZINC000012246425 962256947 /nfs/dbraw/zinc/25/69/47/962256947.db2.gz WFCKEDONVDQWJS-HXUWFJFHSA-N 1 0 420.582 3.891 50 0 HHAARO Cc1cccc(C[NH+]2CCC([C@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)c1 ZINC000012281584 962267424 /nfs/dbraw/zinc/26/74/24/962267424.db2.gz ZJARQAJOWNHFJS-QHCPKHFHSA-N 1 0 411.933 3.681 50 0 HHAARO Cc1cccnc1CNc1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000012305184 962268794 /nfs/dbraw/zinc/26/87/94/962268794.db2.gz VAXXHYAMVYWMQR-UHFFFAOYSA-N 1 0 407.562 3.878 50 0 HHAARO C[C@@H]1CN(C(=O)c2nc3ccc(Cl)cn3c2C[NH2+]C(C2CC2)C2CC2)C[C@H](C)O1 ZINC000012302454 962268882 /nfs/dbraw/zinc/26/88/82/962268882.db2.gz XHZPNWWRFSERBP-OKILXGFUSA-N 1 0 416.953 3.515 50 0 HHAARO C[C@@H]1C[N@H+](CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000012456615 962283625 /nfs/dbraw/zinc/28/36/25/962283625.db2.gz GEAJAEVKGHTLRC-OXQOHEQNSA-N 1 0 402.922 3.505 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C[C@@H]3CCOC(C)(C)C3)CC2)c1 ZINC000012474871 962286111 /nfs/dbraw/zinc/28/61/11/962286111.db2.gz HKULRZNSIOJKQI-QGZVFWFLSA-N 1 0 416.562 3.636 50 0 HHAARO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)CCC(F)(F)F ZINC000012571195 962293688 /nfs/dbraw/zinc/29/36/88/962293688.db2.gz WWAWBPBEZVBSGY-KRWDZBQOSA-N 1 0 412.496 3.683 50 0 HHAARO O=C(CCc1nc2ccccc2s1)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012612740 962301914 /nfs/dbraw/zinc/30/19/14/962301914.db2.gz SRROFXKSNLBOMN-LJQANCHMSA-N 1 0 405.567 3.977 50 0 HHAARO CC[C@H](COC)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012708992 962316447 /nfs/dbraw/zinc/31/64/47/962316447.db2.gz XDNXDUWRKTYDKY-JOCHJYFZSA-N 1 0 410.558 3.927 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CCc1c[nH]c3ccccc13)C2 ZINC000014746812 962567836 /nfs/dbraw/zinc/56/78/36/962567836.db2.gz HYCVOVFSSVDFIH-LJQANCHMSA-N 1 0 419.573 3.700 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1cccc(Cl)c1)CC2 ZINC000014749968 962568285 /nfs/dbraw/zinc/56/82/85/962568285.db2.gz LDYHQPQQLKBZQH-FQEVSTJZSA-N 1 0 422.960 3.934 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000015078802 962652000 /nfs/dbraw/zinc/65/20/00/962652000.db2.gz UQELNZLKSSJIQV-FQEVSTJZSA-N 1 0 418.497 3.714 50 0 HHAARO Cc1c(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229005 963357416 /nfs/dbraw/zinc/35/74/16/963357416.db2.gz BUDJSXQMAIQOOF-DEOSSOPVSA-N 1 0 416.569 3.507 50 0 HHAARO c1[nH]nc(-c2cccc3ccccc32)c1C[NH2+]C[C@H](c1ccccn1)N1CCOCC1 ZINC000019636814 963372335 /nfs/dbraw/zinc/37/23/35/963372335.db2.gz TYKAIDIEXITFKZ-XMMPIXPASA-N 1 0 413.525 3.788 50 0 HHAARO CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1ccccc1)C3 ZINC000020110065 963384291 /nfs/dbraw/zinc/38/42/91/963384291.db2.gz KUDKJKRGDLBESN-GOSISDBHSA-N 1 0 411.571 3.920 50 0 HHAARO COc1ccc2c(c1)C=C(CN1CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780720 963394990 /nfs/dbraw/zinc/39/49/90/963394990.db2.gz ULGWQMOIDSHDAS-XMMPIXPASA-N 1 0 419.569 3.758 50 0 HHAARO Cc1cc(C)c(C[N@H+]2CCc3nnc(CCNC(=O)C4CCCCC4)n3CC2)cc1C ZINC000020778333 963395129 /nfs/dbraw/zinc/39/51/29/963395129.db2.gz HEMUQYAYZQYXFK-UHFFFAOYSA-N 1 0 423.605 3.501 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)c2ccccc2n3CC)CN1C(C)C ZINC000023361477 963808056 /nfs/dbraw/zinc/80/80/56/963808056.db2.gz WDKLDPHWSWPWGD-CYFREDJKSA-N 1 0 406.574 3.891 50 0 HHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]CCC2=C(C)CCCC2(C)C)CN1C1Cc2ccccc2C1 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Cc1c[nH+]c(CC2CCN(C(=O)Cc3cccnc3)CC2)n1Cc1ccc(F)cc1 ZINC000257192357 970624976 /nfs/dbraw/zinc/62/49/76/970624976.db2.gz UDVNNGBUQLPYLP-UHFFFAOYSA-N 1 0 406.505 3.798 50 0 HHAARO Fc1ccc(N2CC[NH+](CCCNC(=S)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000002727756 132257366 /nfs/dbraw/zinc/25/73/66/132257366.db2.gz UZFMYKUQBSHIQB-UHFFFAOYSA-N 1 0 406.958 3.978 50 0 HHAARO COc1cccc(C[NH+]2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)c1 ZINC000002828243 132258131 /nfs/dbraw/zinc/25/81/31/132258131.db2.gz UBGSJNGQKDRBBX-UHFFFAOYSA-N 1 0 421.585 3.873 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CCCCCC4)c(C)c32)CC1 ZINC000004729163 132285906 /nfs/dbraw/zinc/28/59/06/132285906.db2.gz RPFDFDUFGHHNHG-UHFFFAOYSA-N 1 0 415.607 3.984 50 0 HHAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+](C)Cc1ccccc1)C[C@H](C)O2 ZINC000006798010 132317135 /nfs/dbraw/zinc/31/71/35/132317135.db2.gz JBPKQLDCIMJVQF-FQEVSTJZSA-N 1 0 423.557 3.527 50 0 HHAARO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007251290 132323139 /nfs/dbraw/zinc/32/31/39/132323139.db2.gz UYZHSLJMORGCAP-FQEVSTJZSA-N 1 0 420.479 3.530 50 0 HHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc[nH]c1=S ZINC000010193140 132345440 /nfs/dbraw/zinc/34/54/40/132345440.db2.gz HWBKOSGKLKFAJP-UHFFFAOYSA-N 1 0 404.539 3.945 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)cc2C)CC1 ZINC000012522088 132361691 /nfs/dbraw/zinc/36/16/91/132361691.db2.gz UNFXDPRDLQNGGY-UHFFFAOYSA-N 1 0 422.529 3.888 50 0 HHAARO Cc1cc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)ccc1N1CC[NH+](C)CC1 ZINC000012537281 132362306 /nfs/dbraw/zinc/36/23/06/132362306.db2.gz WOGCKSUVBQRGOZ-JOCHJYFZSA-N 1 0 409.530 3.557 50 0 HHAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(F)c(Cl)c2)CC1 ZINC000012539474 132362556 /nfs/dbraw/zinc/36/25/56/132362556.db2.gz HJKCAXUVYGCOCE-UHFFFAOYSA-N 1 0 412.292 3.902 50 0 HHAARO C[N@H+](Cc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21)C1CCCCC1 ZINC000045793381 523376077 /nfs/dbraw/zinc/37/60/77/523376077.db2.gz GNHJCSIZIKGBRU-UHFFFAOYSA-N 1 0 404.514 3.800 50 0 HHAARO CCc1[nH]c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1C(=O)OC ZINC000032820802 523657389 /nfs/dbraw/zinc/65/73/89/523657389.db2.gz DRKAMBDVBYSREK-UHFFFAOYSA-N 1 0 417.937 3.720 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000032733571 524029810 /nfs/dbraw/zinc/02/98/10/524029810.db2.gz TVRSHFRBXLIFSX-HXUWFJFHSA-N 1 0 403.567 3.615 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)CSc3ccc(F)cc3)CC2)c1 ZINC000032068097 524554426 /nfs/dbraw/zinc/55/44/26/524554426.db2.gz NKDQXSNJHWJXMD-UHFFFAOYSA-N 1 0 415.578 3.945 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598579 524558855 /nfs/dbraw/zinc/55/88/55/524558855.db2.gz WMLJKHBEZNJQJG-OAQYLSRUSA-N 1 0 413.537 3.630 50 0 HHAARO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032873762 525253726 /nfs/dbraw/zinc/25/37/26/525253726.db2.gz WOZKEAJRAMDIOZ-KRWDZBQOSA-N 1 0 409.511 3.906 50 0 HHAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](CCCn4cccn4)C3)CC2)c1 ZINC000020542369 527685917 /nfs/dbraw/zinc/68/59/17/527685917.db2.gz JWLKDDYQFIWICX-NRFANRHFSA-N 1 0 421.511 3.579 50 0 HHAARO CCOc1ccc2nc(N3CCC([NH2+]Cc4ccc5nonc5c4)CC3)nc(C)c2c1 ZINC000011871580 535442966 /nfs/dbraw/zinc/44/29/66/535442966.db2.gz VLJOLXAKFCMCEN-UHFFFAOYSA-N 1 0 418.501 3.632 50 0 HHAARO COc1ccc2[nH+]c(C)cc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1 ZINC000006510066 537048045 /nfs/dbraw/zinc/04/80/45/537048045.db2.gz UAIGPSNNVLNZEM-XNTDXEJSSA-N 1 0 423.538 3.675 50 0 HHAARO CCOC(=O)CCCCCC(=O)c1cccc(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000002515266 557354071 /nfs/dbraw/zinc/35/40/71/557354071.db2.gz SZWISXONBLNQSA-UHFFFAOYSA-N 1 0 403.519 3.722 50 0 HHAARO C[NH+](C)CCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000002866639 557412467 /nfs/dbraw/zinc/41/24/67/557412467.db2.gz WCLDBLCDGDYBQM-UHFFFAOYSA-N 1 0 403.479 3.677 50 0 HHAARO COCC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1 ZINC000034740489 557443815 /nfs/dbraw/zinc/44/38/15/557443815.db2.gz VTNILQFEDOEAIB-NFBKMPQASA-N 1 0 415.553 3.511 50 0 HHAARO CCCC(=O)N(CCC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1 ZINC000034831250 557466667 /nfs/dbraw/zinc/46/66/67/557466667.db2.gz OBVKBHOEPOHYQS-UHFFFAOYSA-N 1 0 415.557 3.610 50 0 HHAARO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1OC ZINC000004177158 557525077 /nfs/dbraw/zinc/52/50/77/557525077.db2.gz XLJLIWMWBJUGMI-QFIPXVFZSA-N 1 0 410.558 3.925 50 0 HHAARO CC(C)[NH+]1CCC(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)CC1 ZINC000002779041 557761223 /nfs/dbraw/zinc/76/12/23/557761223.db2.gz OCLXKBDZDMCAQA-NSHDSACASA-N 1 0 406.880 3.983 50 0 HHAARO Cc1ccc(Cl)c(OCn2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)n2)c1 ZINC000002797808 557761940 /nfs/dbraw/zinc/76/19/40/557761940.db2.gz WBWUFYJTUKRGIC-UHFFFAOYSA-N 1 0 404.942 3.920 50 0 HHAARO C[NH2+]CCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008376933 557784562 /nfs/dbraw/zinc/78/45/62/557784562.db2.gz WERGXVISSDBDCX-UHFFFAOYSA-N 1 0 411.315 3.875 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008591134 557796224 /nfs/dbraw/zinc/79/62/24/557796224.db2.gz BDFRDBNXBSMFGF-UHFFFAOYSA-N 1 0 424.357 3.978 50 0 HHAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000022804515 557824761 /nfs/dbraw/zinc/82/47/61/557824761.db2.gz AIARFMWFMFWHLC-UHFFFAOYSA-N 1 0 419.573 3.876 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)C2=C(C)OCCO2)CC1 ZINC000011661766 558265562 /nfs/dbraw/zinc/26/55/62/558265562.db2.gz MNOCBCRFVNXTIX-UHFFFAOYSA-N 1 0 416.562 3.670 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cnc(SC)nc2)C1 ZINC000011707327 558270900 /nfs/dbraw/zinc/27/09/00/558270900.db2.gz DOYQGCCOHKESRE-GOSISDBHSA-N 1 0 400.592 3.594 50 0 HHAARO COc1cccc(OCc2cc(C(=O)N(C)C3CC(C)(C)[NH2+]C(C)(C)C3)no2)c1 ZINC000011765127 558273908 /nfs/dbraw/zinc/27/39/08/558273908.db2.gz UINRYYAESLVGIC-UHFFFAOYSA-N 1 0 401.507 3.643 50 0 HHAARO O[C@@H](Cn1c2ccccc2c2c1CCCC2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019757974 558274968 /nfs/dbraw/zinc/27/49/68/558274968.db2.gz QRHHLEHVTPUDHI-JOCHJYFZSA-N 1 0 403.570 3.699 50 0 HHAARO COc1ccc(OCC(=O)N2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)cc1 ZINC000019790036 558282306 /nfs/dbraw/zinc/28/23/06/558282306.db2.gz FORDYNRGDAQIKI-UHFFFAOYSA-N 1 0 408.542 3.945 50 0 HHAARO Cn1cnnc1Sc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)o1 ZINC000019792437 558283353 /nfs/dbraw/zinc/28/33/53/558283353.db2.gz YCHSHAIJUMJNFY-IBGZPJMESA-N 1 0 411.575 3.698 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 ZINC000011838261 558285371 /nfs/dbraw/zinc/28/53/71/558285371.db2.gz YDRJCSKEGDQOJG-IBGZPJMESA-N 1 0 408.521 3.589 50 0 HHAARO O=C(NCc1ccco1)[C@H]1CC12CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000011838818 558285679 /nfs/dbraw/zinc/28/56/79/558285679.db2.gz NVFYWZGWRRPZTD-OAQYLSRUSA-N 1 0 418.497 3.780 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c(OC)c1OC ZINC000011843689 558288466 /nfs/dbraw/zinc/28/84/66/558288466.db2.gz WZHHYVUZZVLARD-HSZRJFAPSA-N 1 0 403.494 3.669 50 0 HHAARO CN(C(=O)CC1=CSC2=NCCCN12)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011844151 558289045 /nfs/dbraw/zinc/28/90/45/558289045.db2.gz OYZKSWRYDBSIRJ-FQEVSTJZSA-N 1 0 412.603 3.582 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3cnc(SC)nc3)C2)cc1 ZINC000011873391 558291155 /nfs/dbraw/zinc/29/11/55/558291155.db2.gz JTSUBCGXYSTHOI-LJQANCHMSA-N 1 0 400.592 3.594 50 0 HHAARO Cc1nn(C)cc1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000019839392 558293643 /nfs/dbraw/zinc/29/36/43/558293643.db2.gz IJYNGEZINCNRER-UHFFFAOYSA-N 1 0 401.470 3.600 50 0 HHAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000011933632 558298198 /nfs/dbraw/zinc/29/81/98/558298198.db2.gz BIGDQSQTTORBCH-QFIPXVFZSA-N 1 0 404.558 3.900 50 0 HHAARO COc1cccc(CN2CC[N@@H+](C3CCN(c4ccccc4C)CC3)C[C@@H]2CCO)c1 ZINC000019866913 558298833 /nfs/dbraw/zinc/29/88/33/558298833.db2.gz GDIWPBQWHPQJDD-DEOSSOPVSA-N 1 0 423.601 3.541 50 0 HHAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+]([C@H](C)Cc2ncccc2C)CC1 ZINC000011937342 558301051 /nfs/dbraw/zinc/30/10/51/558301051.db2.gz GPWRSBWFDTYYSX-GOSISDBHSA-N 1 0 423.557 3.765 50 0 HHAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+]([C@@H](C)Cc2ncccc2C)CC1 ZINC000011937341 558301072 /nfs/dbraw/zinc/30/10/72/558301072.db2.gz GPWRSBWFDTYYSX-SFHVURJKSA-N 1 0 423.557 3.765 50 0 HHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](CCCn4nc(C)cc4C)CC3)on2)c1 ZINC000011953410 558303225 /nfs/dbraw/zinc/30/32/25/558303225.db2.gz SUNBJIQXHQHGSO-UHFFFAOYSA-N 1 0 424.545 3.623 50 0 HHAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011972313 558305030 /nfs/dbraw/zinc/30/50/30/558305030.db2.gz FSRFRQJDNLZVKY-QGZVFWFLSA-N 1 0 415.497 3.574 50 0 HHAARO CO[C@H](C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccccc1 ZINC000011998368 558307502 /nfs/dbraw/zinc/30/75/02/558307502.db2.gz XHUGRGRARYVJTQ-PKTZIBPZSA-N 1 0 408.542 3.704 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1 ZINC000012037957 558312423 /nfs/dbraw/zinc/31/24/23/558312423.db2.gz DJCLUIPQOMNOFA-MRXNPFEDSA-N 1 0 410.543 3.679 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000019956649 558314972 /nfs/dbraw/zinc/31/49/72/558314972.db2.gz YKAABNBEPBHASU-FQEVSTJZSA-N 1 0 423.557 3.546 50 0 HHAARO O=C(Cn1c(CN2CCCC2)nc2sc3c(c2c1=O)CCCC3)Nc1ccccc1 ZINC000019982014 558317381 /nfs/dbraw/zinc/31/73/81/558317381.db2.gz TYPXEIVQTJXSGP-UHFFFAOYSA-N 1 0 422.554 3.571 50 0 HHAARO CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012098686 558325353 /nfs/dbraw/zinc/32/53/53/558325353.db2.gz ZBPXDNJXLPENPB-IBGZPJMESA-N 1 0 417.557 3.837 50 0 HHAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCCc3ccccc3)CC2)cc1O ZINC000012155253 558340064 /nfs/dbraw/zinc/34/00/64/558340064.db2.gz XUYKVBYVNQAOLX-NRFANRHFSA-N 1 0 408.542 3.752 50 0 HHAARO CCC(CC)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012165485 558342508 /nfs/dbraw/zinc/34/25/08/558342508.db2.gz QTUIYUGOEDPHQE-GOSISDBHSA-N 1 0 401.555 3.683 50 0 HHAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1OC ZINC000020169534 558343337 /nfs/dbraw/zinc/34/33/37/558343337.db2.gz LIZOPZXZEASACT-UHFFFAOYSA-N 1 0 416.949 3.928 50 0 HHAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C ZINC000012197225 558350350 /nfs/dbraw/zinc/35/03/50/558350350.db2.gz CUVIFFLGVUQQLZ-SFHVURJKSA-N 1 0 405.502 3.767 50 0 HHAARO C/C(=C\c1ccco1)C[NH+]1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000012205230 558352469 /nfs/dbraw/zinc/35/24/69/558352469.db2.gz BBUJROGRWXXRNN-KNTRCKAVSA-N 1 0 410.514 3.699 50 0 HHAARO CC(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)NCc4ccncc4)cc3c2)CC1 ZINC000012247037 558362069 /nfs/dbraw/zinc/36/20/69/558362069.db2.gz JKJASMQLDRIYQH-UHFFFAOYSA-N 1 0 407.514 3.697 50 0 HHAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)o1 ZINC000012299334 558369173 /nfs/dbraw/zinc/36/91/73/558369173.db2.gz IYKQQVYKRGEGBZ-OAQYLSRUSA-N 1 0 416.522 3.516 50 0 HHAARO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)C2=O)c(C)c1 ZINC000020494402 558379723 /nfs/dbraw/zinc/37/97/23/558379723.db2.gz YRXRNQBKBMYHHM-GKWUYRECSA-N 1 0 421.585 3.522 50 0 HHAARO COc1ccccc1-n1cc(C[NH2+][C@@H]2CCCc3c2cnn3-c2ccccn2)cn1 ZINC000012432333 558406683 /nfs/dbraw/zinc/40/66/83/558406683.db2.gz NLHBUPBEXFHSBY-LJQANCHMSA-N 1 0 400.486 3.629 50 0 HHAARO Cc1cccn2c(C[N@@H+]3CC[C@@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012434051 558407757 /nfs/dbraw/zinc/40/77/57/558407757.db2.gz SPNPRRBGAOQNNS-HXUWFJFHSA-N 1 0 410.562 3.517 50 0 HHAARO COc1ccc(-c2noc(CN3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)n2)cc1 ZINC000020773835 558411440 /nfs/dbraw/zinc/41/14/40/558411440.db2.gz OTPXNVOISLLUIS-UHFFFAOYSA-N 1 0 408.546 3.688 50 0 HHAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4OC)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012439981 558411475 /nfs/dbraw/zinc/41/14/75/558411475.db2.gz FEDKGUMDQKFHEE-PZGSVQSZSA-N 1 0 422.525 3.650 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@H]2CCOC2)CC1 ZINC000012441837 558412377 /nfs/dbraw/zinc/41/23/77/558412377.db2.gz FVSRMBXBXSGPDY-DEOSSOPVSA-N 1 0 407.558 3.667 50 0 HHAARO COc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000020778192 558412519 /nfs/dbraw/zinc/41/25/19/558412519.db2.gz YBTOGCMWWUFSLW-HXUWFJFHSA-N 1 0 419.525 3.588 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012443199 558412881 /nfs/dbraw/zinc/41/28/81/558412881.db2.gz UWTBLEWZRVVWBZ-GOSISDBHSA-N 1 0 412.505 3.624 50 0 HHAARO c1ccc(CCc2noc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)n2)cc1 ZINC000020784117 558413570 /nfs/dbraw/zinc/41/35/70/558413570.db2.gz RBCYSMKKPFYTLJ-QHCPKHFHSA-N 1 0 402.542 3.530 50 0 HHAARO C[C@@H](Cc1ccccc1F)[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012457102 558417534 /nfs/dbraw/zinc/41/75/34/558417534.db2.gz SEFFOPUJLQTDRQ-HNNXBMFYSA-N 1 0 418.896 3.873 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000020914800 558422722 /nfs/dbraw/zinc/42/27/22/558422722.db2.gz WVYJJENTWPOEOL-JOCHJYFZSA-N 1 0 401.576 3.906 50 0 HHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)CCc2cnn(C)c2)c1 ZINC000020914975 558422769 /nfs/dbraw/zinc/42/27/69/558422769.db2.gz ZEGHSIWIFGLNFH-UHFFFAOYSA-N 1 0 401.514 3.956 50 0 HHAARO CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012475933 558422931 /nfs/dbraw/zinc/42/29/31/558422931.db2.gz XISGKDPRTZVVOW-NRFANRHFSA-N 1 0 405.926 3.708 50 0 HHAARO C[NH+](C)CCCN(C(=O)COc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359820 558457143 /nfs/dbraw/zinc/45/71/43/558457143.db2.gz YJFDIMDSBHBZEA-UHFFFAOYSA-N 1 0 405.470 3.938 50 0 HHAARO Cc1ccc(-n2c(Cc3ccccc3)nn(CN3CC[NH+](C)CC3)c2=S)c(C)c1 ZINC000022039130 558459533 /nfs/dbraw/zinc/45/95/33/558459533.db2.gz GIDGTYMMMVILHF-UHFFFAOYSA-N 1 0 407.587 3.816 50 0 HHAARO O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012802730 558472187 /nfs/dbraw/zinc/47/21/87/558472187.db2.gz VRXMMHHXBXJTRR-ZJSXRUAMSA-N 1 0 423.557 3.957 50 0 HHAARO O=C(CCNC(=O)c1ccc(Cl)cc1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000012804558 558472989 /nfs/dbraw/zinc/47/29/89/558472989.db2.gz RSXPJAXPPVQNKE-UHFFFAOYSA-N 1 0 405.970 3.765 50 0 HHAARO CC1(C)CC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC(C)(C)[NH2+]1 ZINC000012995094 558498132 /nfs/dbraw/zinc/49/81/32/558498132.db2.gz QNDOGICYNLSNRR-UHFFFAOYSA-N 1 0 403.530 3.973 50 0 HHAARO C[C@H](NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccco1 ZINC000022771789 558508742 /nfs/dbraw/zinc/50/87/42/558508742.db2.gz IYOZSEDUZYOMCQ-FQEVSTJZSA-N 1 0 403.526 3.864 50 0 HHAARO Fc1ccc(-c2cc3ncnc(N4CCN(CC[NH+]5CCCC5)CC4)c3s2)cc1 ZINC000022784012 558510601 /nfs/dbraw/zinc/51/06/01/558510601.db2.gz UHCXTBFZKCXJES-UHFFFAOYSA-N 1 0 411.550 3.715 50 0 HHAARO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 ZINC000022785927 558510866 /nfs/dbraw/zinc/51/08/66/558510866.db2.gz OJAJOHPTENUBSP-UHFFFAOYSA-N 1 0 410.525 3.570 50 0 HHAARO Cc1c2cc(C)ccc2[nH]c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000022853584 558517322 /nfs/dbraw/zinc/51/73/22/558517322.db2.gz FETKUUMNSXBMCP-JOCHJYFZSA-N 1 0 412.622 3.526 50 0 HHAARO C[NH+]1CCN(CC[C@H]2CCCCN2C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022935462 558526415 /nfs/dbraw/zinc/52/64/15/558526415.db2.gz ZXLZRVCDAJTTRE-GOSISDBHSA-N 1 0 414.541 3.894 50 0 HHAARO O=C(CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1)NCc1ccc(Cl)cc1 ZINC000023095819 558534042 /nfs/dbraw/zinc/53/40/42/558534042.db2.gz VVLLQAJTYBKWNK-UHFFFAOYSA-N 1 0 401.982 3.543 50 0 HHAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cc(OC)ccc1OC ZINC000023201811 558542612 /nfs/dbraw/zinc/54/26/12/558542612.db2.gz YAYZGLTWTRGMDC-UHFFFAOYSA-N 1 0 411.458 3.555 50 0 HHAARO O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000023257893 558546650 /nfs/dbraw/zinc/54/66/50/558546650.db2.gz KLJIPLVVNWTBRB-UHFFFAOYSA-N 1 0 420.582 3.817 50 0 HHAARO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000013594958 558546932 /nfs/dbraw/zinc/54/69/32/558546932.db2.gz QHSQMXUGWJUSOH-IBGZPJMESA-N 1 0 405.498 3.984 50 0 HHAARO CC(C)Oc1ccc(CC[NH2+]Cc2c(C(=O)N3CCCC3)nc3sccn23)cc1 ZINC000023338410 558550005 /nfs/dbraw/zinc/55/00/05/558550005.db2.gz XTAFDHXXYHKOKT-UHFFFAOYSA-N 1 0 412.559 3.751 50 0 HHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 ZINC000023340039 558550664 /nfs/dbraw/zinc/55/06/64/558550664.db2.gz FCIXDBXTCRSKHK-JOCHJYFZSA-N 1 0 421.545 3.673 50 0 HHAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccc5ccccc5c4O)nc3c12 ZINC000013628406 558551786 /nfs/dbraw/zinc/55/17/86/558551786.db2.gz OSKRQHDYHCAFJU-UHFFFAOYSA-N 1 0 400.486 3.783 50 0 HHAARO COc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cc(Cl)c1OC ZINC000023360481 558552067 /nfs/dbraw/zinc/55/20/67/558552067.db2.gz BTHCLNVNFNWBHX-FQEVSTJZSA-N 1 0 418.965 3.734 50 0 HHAARO OCC[C@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373895 558553564 /nfs/dbraw/zinc/55/35/64/558553564.db2.gz AXEXRAZVQLVEKS-QHCPKHFHSA-N 1 0 422.548 3.513 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)s1 ZINC000023690857 558568265 /nfs/dbraw/zinc/56/82/65/558568265.db2.gz WMNPGRUFYAEWTO-UHFFFAOYSA-N 1 0 424.526 3.906 50 0 HHAARO Cc1nc(SCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n(C2CCCCC2)c1C ZINC000024115561 558589967 /nfs/dbraw/zinc/58/99/67/558589967.db2.gz CVOWZLFLCVAFAT-FQEVSTJZSA-N 1 0 422.639 3.570 50 0 HHAARO CCOc1ccc(N2C[C@@H](C(=O)NCc3ccccc3C[NH+](CC)CC)CC2=O)cc1 ZINC000024991115 558625914 /nfs/dbraw/zinc/62/59/14/558625914.db2.gz HMXNPACATKOFIH-NRFANRHFSA-N 1 0 423.557 3.596 50 0 HHAARO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000024991431 558626136 /nfs/dbraw/zinc/62/61/36/558626136.db2.gz XZTBDNAZWQVUGL-INIZCTEOSA-N 1 0 419.934 3.653 50 0 HHAARO COCCNC(=O)C1CC[NH+]([C@@H](C(=O)c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000025047108 558628188 /nfs/dbraw/zinc/62/81/88/558628188.db2.gz FSWTYUUOSAHRHK-HSZRJFAPSA-N 1 0 419.525 3.567 50 0 HHAARO Cc1ccc([C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049051 558628422 /nfs/dbraw/zinc/62/84/22/558628422.db2.gz ZPNJQMMHMHYALU-VBKZILBWSA-N 1 0 406.511 3.932 50 0 HHAARO Cc1ccc([C@H]([NH2+][C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049039 558628546 /nfs/dbraw/zinc/62/85/46/558628546.db2.gz ZPNJQMMHMHYALU-XOBRGWDASA-N 1 0 406.511 3.932 50 0 HHAARO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014196728 558633603 /nfs/dbraw/zinc/63/36/03/558633603.db2.gz UQBAAAKAGLBXOU-UONOGXRCSA-N 1 0 411.571 3.892 50 0 HHAARO COc1ccc([C@@H](C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)N2CCOCC2)cc1 ZINC000025261985 558636081 /nfs/dbraw/zinc/63/60/81/558636081.db2.gz TWLADXAOARQDOH-JOCHJYFZSA-N 1 0 414.546 3.654 50 0 HHAARO COc1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)ccc1OCc1c(C)noc1C ZINC000025261906 558636227 /nfs/dbraw/zinc/63/62/27/558636227.db2.gz LCDWBSUZJWNHKS-GOSISDBHSA-N 1 0 410.470 3.809 50 0 HHAARO Cc1c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000025332465 558638736 /nfs/dbraw/zinc/63/87/36/558638736.db2.gz PVVJPSVXBPBHNQ-MRXNPFEDSA-N 1 0 423.464 3.689 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccsc1 ZINC000025816363 558650703 /nfs/dbraw/zinc/65/07/03/558650703.db2.gz PAUQQDMWWAXKKS-FQEVSTJZSA-N 1 0 423.517 3.896 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014536203 558658274 /nfs/dbraw/zinc/65/82/74/558658274.db2.gz WMOUUJWGAZIGOI-FQEVSTJZSA-N 1 0 406.574 3.534 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014539304 558659276 /nfs/dbraw/zinc/65/92/76/558659276.db2.gz OVEMZPZLQDKVKL-IBGZPJMESA-N 1 0 400.567 3.568 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C ZINC000014541114 558659899 /nfs/dbraw/zinc/65/98/99/558659899.db2.gz YGDLGABTKGVDOA-HXUWFJFHSA-N 1 0 414.594 3.958 50 0 HHAARO CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)cnc21 ZINC000014711767 558664695 /nfs/dbraw/zinc/66/46/95/558664695.db2.gz FRJXGPCSXYCBHY-UHFFFAOYSA-N 1 0 412.925 3.670 50 0 HHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](Cc3cccc(O)c3)CC2)c1 ZINC000014950998 558680948 /nfs/dbraw/zinc/68/09/48/558680948.db2.gz GMWCLEFCBFKAJM-UHFFFAOYSA-N 1 0 410.514 3.680 50 0 HHAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000014951053 558680951 /nfs/dbraw/zinc/68/09/51/558680951.db2.gz AKVZWAUMWGIDDZ-HSZRJFAPSA-N 1 0 409.486 3.619 50 0 HHAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000027794323 558683059 /nfs/dbraw/zinc/68/30/59/558683059.db2.gz KUGQEVHCUDJCHY-UWJYYQICSA-N 1 0 400.494 3.945 50 0 HHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000014966215 558685692 /nfs/dbraw/zinc/68/56/92/558685692.db2.gz QZSWHDKRDRNYHH-UHFFFAOYSA-N 1 0 413.562 3.916 50 0 HHAARO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028068416 558690553 /nfs/dbraw/zinc/69/05/53/558690553.db2.gz NNDIRUPAYYJNJC-UQQXROCHSA-N 1 0 417.638 3.582 50 0 HHAARO O=C(CCCc1ccccc1)NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000014990574 558694269 /nfs/dbraw/zinc/69/42/69/558694269.db2.gz NFIPHPUBYLSERI-HSZRJFAPSA-N 1 0 407.558 3.734 50 0 HHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014996700 558696299 /nfs/dbraw/zinc/69/62/99/558696299.db2.gz SVFMORRGCMIXQU-FQEVSTJZSA-N 1 0 421.545 3.755 50 0 HHAARO O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000014996471 558696377 /nfs/dbraw/zinc/69/63/77/558696377.db2.gz CAHSKCUGBUQYJC-UHFFFAOYSA-N 1 0 423.532 3.653 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1nn(-c2ccc(C)c(C)c2)ccc1=O)c1ccccc1 ZINC000028292065 558697801 /nfs/dbraw/zinc/69/78/01/558697801.db2.gz PJBBMQVUXBLILZ-QFIPXVFZSA-N 1 0 418.541 3.662 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403143 558699997 /nfs/dbraw/zinc/69/99/97/558699997.db2.gz NCWOIKSLCQTSER-NRFANRHFSA-N 1 0 401.595 3.527 50 0 HHAARO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CNC(=O)COc2ccccc2OC)C1 ZINC000015067762 558710350 /nfs/dbraw/zinc/71/03/50/558710350.db2.gz VYSGSLXHQPPJMC-OJLWIZQOSA-N 1 0 424.541 3.624 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F ZINC000015067777 558710420 /nfs/dbraw/zinc/71/04/20/558710420.db2.gz KEKNIEFKMHPULN-GOSISDBHSA-N 1 0 408.477 3.871 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000015070083 558712159 /nfs/dbraw/zinc/71/21/59/558712159.db2.gz XCCDXSTZBRJOOQ-GOSISDBHSA-N 1 0 412.505 3.921 50 0 HHAARO O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000015078219 558717618 /nfs/dbraw/zinc/71/76/18/558717618.db2.gz XYNBVQPVPIWJAF-UHFFFAOYSA-N 1 0 417.557 3.960 50 0 HHAARO C[C@H](c1ccon1)N(C)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000015080316 558718694 /nfs/dbraw/zinc/71/86/94/558718694.db2.gz MYQRBUQJIGTNMM-GOSISDBHSA-N 1 0 420.513 3.946 50 0 HHAARO COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)[NH+]2CCCC2)cc1 ZINC000015647215 558747375 /nfs/dbraw/zinc/74/73/75/558747375.db2.gz XQIQSRQOMYGLCK-NRFANRHFSA-N 1 0 402.922 3.989 50 0 HHAARO CCc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1 ZINC000033326840 558766800 /nfs/dbraw/zinc/76/68/00/558766800.db2.gz NYMWIKFFAPYPCO-UHFFFAOYSA-N 1 0 408.550 3.692 50 0 HHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@H](C)O2 ZINC000039354730 558820273 /nfs/dbraw/zinc/82/02/73/558820273.db2.gz XPTRGIZHCYWHAA-RXFWQSSRSA-N 1 0 422.569 3.940 50 0 HHAARO Cc1ccc(-n2cccn2)c(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)c1 ZINC000039445450 558821321 /nfs/dbraw/zinc/82/13/21/558821321.db2.gz GMRQTPIFZRPPEU-XMMPIXPASA-N 1 0 404.558 3.558 50 0 HHAARO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@@H+](C)C4CCCCC4)CC3)nc2c1 ZINC000033070840 558866119 /nfs/dbraw/zinc/86/61/19/558866119.db2.gz DQDAOKSZMZUEJY-UHFFFAOYSA-N 1 0 411.594 3.859 50 0 HHAARO CCC(CC)[NH+]1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1 ZINC000019360597 558876061 /nfs/dbraw/zinc/87/60/61/558876061.db2.gz DQUKJAXVQOZANT-UHFFFAOYSA-N 1 0 408.521 3.831 50 0 HHAARO O=C(C1CC[NH+](Cc2cccc(Cl)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004700461 558908154 /nfs/dbraw/zinc/90/81/54/558908154.db2.gz FZJQFKCASOYJJO-UHFFFAOYSA-N 1 0 411.977 3.896 50 0 HHAARO CCc1nc2c(sc3nc(C)cc(COC)c32)c(=O)n1CCC[NH+](CC)CC ZINC000004707327 558913935 /nfs/dbraw/zinc/91/39/35/558913935.db2.gz VTEARGAOYXVTNT-UHFFFAOYSA-N 1 0 402.564 3.755 50 0 HHAARO Oc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000058356064 558921285 /nfs/dbraw/zinc/92/12/85/558921285.db2.gz UQWCLKBVCQAZNN-LJQANCHMSA-N 1 0 404.304 3.684 50 0 HHAARO Cc1ccc(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c(Cl)c1 ZINC000072119281 558927955 /nfs/dbraw/zinc/92/79/55/558927955.db2.gz RZFWCRCBABCMRQ-UHFFFAOYSA-N 1 0 402.930 3.971 50 0 HHAARO O=C(CCc1ccccc1Br)NCC1([NH+]2CCSCC2)CCCC1 ZINC000059403847 558935500 /nfs/dbraw/zinc/93/55/00/558935500.db2.gz JJFLHLIPLRNPHV-UHFFFAOYSA-N 1 0 411.409 3.860 50 0 HHAARO O=S(=O)(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1 ZINC000063156398 558957937 /nfs/dbraw/zinc/95/79/37/558957937.db2.gz PUTZGWCMXULJNM-UHFFFAOYSA-N 1 0 407.539 3.810 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000064053455 558961985 /nfs/dbraw/zinc/96/19/85/558961985.db2.gz CVSYFVDJHUZTBI-OAQYLSRUSA-N 1 0 408.546 3.822 50 0 HHAARO CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000065364579 558975682 /nfs/dbraw/zinc/97/56/82/558975682.db2.gz HISQKCPCFHOMAF-UHFFFAOYSA-N 1 0 424.549 3.528 50 0 HHAARO Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)c2ccc(F)cc2n1 ZINC000072473858 558983597 /nfs/dbraw/zinc/98/35/97/558983597.db2.gz RQAROHPRKHFYMI-OAQYLSRUSA-N 1 0 403.501 3.998 50 0 HHAARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)c1 ZINC000067601927 558987668 /nfs/dbraw/zinc/98/76/68/558987668.db2.gz KVYCDZDXKVXCOR-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO Cc1ccccc1-c1noc(CNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000067602052 558987911 /nfs/dbraw/zinc/98/79/11/558987911.db2.gz AJXPYGIFLXAYJM-UHFFFAOYSA-N 1 0 408.477 3.713 50 0 HHAARO [NH3+]CCCCCC(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067677062 558991419 /nfs/dbraw/zinc/99/14/19/558991419.db2.gz UDQXPGPTJKLJBC-UHFFFAOYSA-N 1 0 402.542 3.994 50 0 HHAARO O=C(C1CC[NH2+]CC1)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067846634 558993842 /nfs/dbraw/zinc/99/38/42/558993842.db2.gz TUGCJYOXAIYNQE-UHFFFAOYSA-N 1 0 408.523 3.995 50 0 HHAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000023127456 559015870 /nfs/dbraw/zinc/01/58/70/559015870.db2.gz XPFHSQFSMPFKJB-UHFFFAOYSA-N 1 0 419.447 3.672 50 0 HHAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082087635 559036971 /nfs/dbraw/zinc/03/69/71/559036971.db2.gz JFYISXLPKMCBRP-JOCHJYFZSA-N 1 0 410.606 3.551 50 0 HHAARO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082136770 559040233 /nfs/dbraw/zinc/04/02/33/559040233.db2.gz WQDZPJLPSBTMJQ-QFIPXVFZSA-N 1 0 412.622 3.987 50 0 HHAARO COc1ccc(-c2noc(-c3cc(N4CC[NH+](C)CC4)nc4ccccc43)n2)cc1 ZINC000033282534 559045043 /nfs/dbraw/zinc/04/50/43/559045043.db2.gz SQYCOBABDAWXJZ-UHFFFAOYSA-N 1 0 401.470 3.712 50 0 HHAARO Cc1nc(-c2cc(S(=O)(=O)NCC[NH+]3CCC(C)CC3)c(C)s2)sc1C ZINC000033290108 559047049 /nfs/dbraw/zinc/04/70/49/559047049.db2.gz ULSGJIXWBTVQMO-UHFFFAOYSA-N 1 0 413.634 3.807 50 0 HHAARO O=S(=O)(Cc1c(F)cccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000033312295 559054770 /nfs/dbraw/zinc/05/47/70/559054770.db2.gz ZDLVWXCTVHHHDY-UHFFFAOYSA-N 1 0 402.963 3.897 50 0 HHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000004784110 559062949 /nfs/dbraw/zinc/06/29/49/559062949.db2.gz PAGYGLFOHMKESE-HXUWFJFHSA-N 1 0 420.553 3.951 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cc[nH]n2)CC1 ZINC000095529900 559086670 /nfs/dbraw/zinc/08/66/70/559086670.db2.gz APROORHXADXGIZ-UHFFFAOYSA-N 1 0 403.530 3.668 50 0 HHAARO Clc1nc2cc(CC3CC[NH+](CC4CC4)CC3)sc2c(N2CCOCC2)n1 ZINC000095704821 559088021 /nfs/dbraw/zinc/08/80/21/559088021.db2.gz JJLFLNADNRVYNN-UHFFFAOYSA-N 1 0 406.983 3.846 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738189 559179499 /nfs/dbraw/zinc/17/94/99/559179499.db2.gz RLPOISLZBJSKRE-NQIIRXRSSA-N 1 0 411.933 3.646 50 0 HHAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000004928786 559208528 /nfs/dbraw/zinc/20/85/28/559208528.db2.gz ZENAWFLASUIGAP-QHCPKHFHSA-N 1 0 414.571 3.808 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1 ZINC000005042764 559236143 /nfs/dbraw/zinc/23/61/43/559236143.db2.gz IHGXJQXWMFRZDV-UHFFFAOYSA-N 1 0 420.575 3.804 50 0 HHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1cn(C)c2ccccc12 ZINC000409414280 559249776 /nfs/dbraw/zinc/24/97/76/559249776.db2.gz OTSPUXOMYFUVKN-JTHBVZDNSA-N 1 0 411.590 3.850 50 0 HHAARO Cc1ccccc1C(=O)c1cccn1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005142994 559252070 /nfs/dbraw/zinc/25/20/70/559252070.db2.gz BYLITMJORHQUMW-UHFFFAOYSA-N 1 0 415.537 3.808 50 0 HHAARO O=c1c2[nH]c3ccc(F)cc3c2ncn1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000005152230 559254138 /nfs/dbraw/zinc/25/41/38/559254138.db2.gz NJNRYUMQNDUHIE-UHFFFAOYSA-N 1 0 404.489 3.972 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000248264747 559269534 /nfs/dbraw/zinc/26/95/34/559269534.db2.gz XJEALIUWFHBSEA-XLIONFOSSA-N 1 0 407.986 3.865 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2C)cc1 ZINC000005452255 560589523 /nfs/dbraw/zinc/58/95/23/560589523.db2.gz WDQYBWAXAYCKTC-IQOKHDRSSA-N 1 0 407.514 3.814 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@@H+]1CCCC[C@@H]1CC ZINC000005478286 560595144 /nfs/dbraw/zinc/59/51/44/560595144.db2.gz QRVLGIRAXSUGRT-HNNXBMFYSA-N 1 0 401.507 3.946 50 0 HHAARO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000015953596 560650525 /nfs/dbraw/zinc/65/05/25/560650525.db2.gz QIDPWIKJFMARTD-NKKJXINNSA-N 1 0 400.563 3.766 50 0 biogenic HHAARO C[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214050 560790045 /nfs/dbraw/zinc/79/00/45/560790045.db2.gz VIDBSZDPCHAWCY-UHFFFAOYSA-N 1 0 406.983 3.770 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983670 560858906 /nfs/dbraw/zinc/85/89/06/560858906.db2.gz LPXHQSOXPKUHHD-NHCUHLMSSA-N 1 0 420.912 3.872 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000047186834 560884254 /nfs/dbraw/zinc/88/42/54/560884254.db2.gz VXJFYRAGMPXLEE-GOSISDBHSA-N 1 0 418.541 3.547 50 0 HHAARO C[NH+](C)CCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012226892 560894984 /nfs/dbraw/zinc/89/49/84/560894984.db2.gz NNSXAGXBZFYXDW-UHFFFAOYSA-N 1 0 423.947 3.991 50 0 HHAARO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000109037089 568420769 /nfs/dbraw/zinc/42/07/69/568420769.db2.gz DILAHKWSJKHIAP-CABCVRRESA-N 1 0 415.347 3.984 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1F ZINC000048287589 568434684 /nfs/dbraw/zinc/43/46/84/568434684.db2.gz PLPBJSAGRYZIEN-HXUWFJFHSA-N 1 0 406.523 3.586 50 0 HHAARO Cc1ccc(OCCC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1C ZINC000048289091 568434965 /nfs/dbraw/zinc/43/49/65/568434965.db2.gz KAWROSRJAQBXGN-NHCUHLMSSA-N 1 0 410.558 3.998 50 0 HHAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000048311359 568436930 /nfs/dbraw/zinc/43/69/30/568436930.db2.gz ITMATJVKPFZWAI-ZRCGQRJVSA-N 1 0 413.606 3.675 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccsc1 ZINC000048311927 568437068 /nfs/dbraw/zinc/43/70/68/568437068.db2.gz KQWFCFCVAAEZMY-DYVFJYSZSA-N 1 0 402.520 3.672 50 0 HHAARO CC(C)[NH+]1CCC(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC000048302046 568437530 /nfs/dbraw/zinc/43/75/30/568437530.db2.gz PAYQWMLKWJJALN-QHCPKHFHSA-N 1 0 423.557 3.513 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccccc2)C1 ZINC000048341686 568440390 /nfs/dbraw/zinc/44/03/90/568440390.db2.gz PXIDCMSWIVCIHZ-BGYRXZFFSA-N 1 0 407.558 3.601 50 0 HHAARO CCOC(=O)N1CCC(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000048345170 568440941 /nfs/dbraw/zinc/44/09/41/568440941.db2.gz CQBFORJBGLEFNU-KDURUIRLSA-N 1 0 415.578 3.649 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(F)ccc1NC(=O)N1CCCC1 ZINC000049548464 568451681 /nfs/dbraw/zinc/45/16/81/568451681.db2.gz UJNXDQABBFBHLV-UHFFFAOYSA-N 1 0 424.520 3.848 50 0 HHAARO COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=S)NCCC[NH+](C)C)CC2 ZINC000006559319 568455636 /nfs/dbraw/zinc/45/56/36/568455636.db2.gz KQVQVIRGVQYGAX-HXUWFJFHSA-N 1 0 419.616 3.539 50 0 HHAARO C[N@H+](CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000024835572 568469985 /nfs/dbraw/zinc/46/99/85/568469985.db2.gz SHVQWBGJQBZICG-BUHFOSPRSA-N 1 0 419.569 3.577 50 0 HHAARO CC1CC[NH+](CCCNS(=O)(=O)c2ccc(Br)cc2Cl)CC1 ZINC000007728794 568483818 /nfs/dbraw/zinc/48/38/18/568483818.db2.gz OEZMUTLOYRZHGM-UHFFFAOYSA-N 1 0 409.777 3.503 50 0 HHAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000604404914 568492477 /nfs/dbraw/zinc/49/24/77/568492477.db2.gz IZFCJKURIGBZHR-AZUAARDMSA-N 1 0 417.550 3.593 50 0 HHAARO Cc1ccc2[nH]c(N3CCC[C@@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)nc2c1 ZINC000033072153 568511399 /nfs/dbraw/zinc/51/13/99/568511399.db2.gz RQOHMKRWGOOVBS-LJQANCHMSA-N 1 0 411.594 3.859 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3n2)CC1 ZINC000020108655 568588523 /nfs/dbraw/zinc/58/85/23/568588523.db2.gz XHQZXOJAXGHTPJ-UHFFFAOYSA-N 1 0 418.497 3.666 50 0 HHAARO C[NH+]1CCN(C[C@H](NC(=O)NCc2ccc3ccccc3c2)c2ccccc2)CC1 ZINC000095351222 568600949 /nfs/dbraw/zinc/60/09/49/568600949.db2.gz QWLMIMULPNMNTR-DEOSSOPVSA-N 1 0 402.542 3.628 50 0 HHAARO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000095427834 568608094 /nfs/dbraw/zinc/60/80/94/568608094.db2.gz UTIMYIVIWPWLCK-CQSZACIVSA-N 1 0 416.323 3.687 50 0 HHAARO COc1ccc([C@@H](O)[C@H](C)[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442649 568611127 /nfs/dbraw/zinc/61/11/27/568611127.db2.gz XCOIHEIQXXMCMO-RBZFPXEDSA-N 1 0 404.304 3.945 50 0 HHAARO C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447032 568612251 /nfs/dbraw/zinc/61/22/51/568612251.db2.gz QMIZSJPTEGBPQM-FPOVZHCZSA-N 1 0 405.542 3.953 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489782 568614356 /nfs/dbraw/zinc/61/43/56/568614356.db2.gz BSBVVPSRELWKQF-HXUWFJFHSA-N 1 0 422.573 3.805 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)c1cn(-c2ccc(OC)cc2)c(=O)c2ccccc12 ZINC000020508794 568620241 /nfs/dbraw/zinc/62/02/41/568620241.db2.gz VMJOHYABVZLQER-UHFFFAOYSA-N 1 0 421.541 3.851 50 0 HHAARO Cn1c(C[NH+]2CCCCC2)cc(=O)c(O)c1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000095480425 568633188 /nfs/dbraw/zinc/63/31/88/568633188.db2.gz YNDYITHXZVLJAC-UHFFFAOYSA-N 1 0 411.521 3.505 50 0 HHAARO C[NH+](C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c(-c2ccc3c(c2)OCO3)n1 ZINC000020611103 568637189 /nfs/dbraw/zinc/63/71/89/568637189.db2.gz SOINZJNKDWKYOH-UHFFFAOYSA-N 1 0 416.481 3.793 50 0 biogenic HHAARO CCC[NH+]1CCN(c2ccc(NC(=O)CSC(F)(F)F)c(OCC)c2)CC1 ZINC000225555739 568650819 /nfs/dbraw/zinc/65/08/19/568650819.db2.gz JJHCWINEFOZDDF-UHFFFAOYSA-N 1 0 405.486 3.809 50 0 HHAARO CC(C)(C)OC(=O)NC1CC[NH+](CCCC(=O)NCCSc2ccccc2)CC1 ZINC000225604244 568656143 /nfs/dbraw/zinc/65/61/43/568656143.db2.gz NJDHYQWYIULSFQ-UHFFFAOYSA-N 1 0 421.607 3.664 50 0 HHAARO C[NH+](C)CCN(C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1)c1cccc(Cl)c1Cl ZINC000225616532 568657488 /nfs/dbraw/zinc/65/74/88/568657488.db2.gz MJPQPMIVVXTXMT-OAHLLOKOSA-N 1 0 412.361 3.537 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021161761 568674360 /nfs/dbraw/zinc/67/43/60/568674360.db2.gz ASFSZIPNBSQETO-UHFFFAOYSA-N 1 0 406.530 3.887 50 0 HHAARO CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)cc1 ZINC000021172264 568676421 /nfs/dbraw/zinc/67/64/21/568676421.db2.gz CDZABRKJTXCXGA-GOSISDBHSA-N 1 0 406.530 3.907 50 0 HHAARO Cc1ccc(C)c([C@H](c2ccccc2)[NH+]2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 ZINC000096183702 568702933 /nfs/dbraw/zinc/70/29/33/568702933.db2.gz HCGJYERKXUZRSL-SANMLTNESA-N 1 0 416.569 3.903 50 0 HHAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2C)CC1 ZINC000021523907 568708863 /nfs/dbraw/zinc/70/88/63/568708863.db2.gz IQABCOUPZFRAFT-UHFFFAOYSA-N 1 0 411.937 3.617 50 0 HHAARO Fc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](CCc3ccccc3)C4)CC2)cc1 ZINC000021640388 568727586 /nfs/dbraw/zinc/72/75/86/568727586.db2.gz MEFYIJFFILHWSE-UHFFFAOYSA-N 1 0 417.532 3.543 50 0 HHAARO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000239359523 568729040 /nfs/dbraw/zinc/72/90/40/568729040.db2.gz AEKXSPKYFKQMGD-WMZOPIPTSA-N 1 0 416.484 3.846 50 0 HHAARO COc1cc(NC(=O)N2CCC(C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc(OC)c1OC ZINC000021653339 568730604 /nfs/dbraw/zinc/73/06/04/568730604.db2.gz YAEWCZOXSYUPNA-CALCHBBNSA-N 1 0 419.566 3.934 50 0 HHAARO Fc1cc(F)cc(-c2noc3ncnc(N4CC[NH+](Cc5ccccc5)CC4)c32)c1 ZINC000021714879 568748860 /nfs/dbraw/zinc/74/88/60/568748860.db2.gz UFWRLSLUADAFDV-UHFFFAOYSA-N 1 0 407.424 3.885 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2ncnc(N3CCCC3)c2c1 ZINC000096399905 568749016 /nfs/dbraw/zinc/74/90/16/568749016.db2.gz GSUPQMQTNYEUIF-UHFFFAOYSA-N 1 0 415.541 3.624 50 0 HHAARO Cc1cccc(-c2ncc(C[NH+]3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)cn2)c1 ZINC000015071412 568749236 /nfs/dbraw/zinc/74/92/36/568749236.db2.gz UMXSRAHVZCVFER-QHCPKHFHSA-N 1 0 422.573 3.739 50 0 HHAARO C[NH+]1CCN(c2nc(-c3cccc(Br)c3)nnc2-c2ccccc2)CC1 ZINC000096581357 568762455 /nfs/dbraw/zinc/76/24/55/568762455.db2.gz QLNOIXGRWWJUQV-UHFFFAOYSA-N 1 0 410.319 3.720 50 0 HHAARO CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1cccc(F)c1 ZINC000052678021 568775506 /nfs/dbraw/zinc/77/55/06/568775506.db2.gz WKBXSUTUQWSJND-GOSISDBHSA-N 1 0 411.521 3.727 50 0 HHAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000230063591 568805606 /nfs/dbraw/zinc/80/56/06/568805606.db2.gz RUOAGGNHMSYGST-RHSMWYFYSA-N 1 0 407.440 3.879 50 0 HHAARO COc1cccc(C[N@H+](CC(=O)Nc2cc(F)ccc2F)C2CCC(O)CC2)c1 ZINC000057265608 568825443 /nfs/dbraw/zinc/82/54/43/568825443.db2.gz IJAKBJXEMXCFOD-UHFFFAOYSA-N 1 0 404.457 3.718 50 0 HHAARO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063273250 568829292 /nfs/dbraw/zinc/82/92/92/568829292.db2.gz KPMUTASUEZNNND-OAHLLOKOSA-N 1 0 409.368 3.987 50 0 HHAARO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NN2CCOCC2)cc1 ZINC000002974702 568832312 /nfs/dbraw/zinc/83/23/12/568832312.db2.gz OFQCSQIZLSRFCD-UHFFFAOYSA-N 1 0 401.470 3.755 50 0 HHAARO O=C(NCCC[NH+]1CCCC1)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000003044746 568848582 /nfs/dbraw/zinc/84/85/82/568848582.db2.gz BLHOZOFZSSOOCF-UHFFFAOYSA-N 1 0 417.435 3.631 50 0 HHAARO COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCCC4)cc3NC2=O)cc1 ZINC000003060529 568852632 /nfs/dbraw/zinc/85/26/32/568852632.db2.gz DNFDEEKAWODGRF-KGENOOAVSA-N 1 0 423.538 3.606 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000012557173 568856117 /nfs/dbraw/zinc/85/61/17/568856117.db2.gz LCJPAFOVKNWAJJ-QFIPXVFZSA-N 1 0 423.538 3.520 50 0 HHAARO COc1ccc2nc(N3CCC([NH2+]CCc4ccccc4OC)CC3)nc(C)c2c1 ZINC000299767015 568873887 /nfs/dbraw/zinc/87/38/87/568873887.db2.gz AFYZZTVVLWKUGC-UHFFFAOYSA-N 1 0 406.530 3.757 50 0 HHAARO COc1ccc(OC)c([N+]2=C3SCCCN3C[C@@]2(O)c2ccc(Cl)cc2)c1 ZINC000003529937 568912778 /nfs/dbraw/zinc/91/27/78/568912778.db2.gz MMEPLKUZHWHDIW-HXUWFJFHSA-N 1 0 405.927 3.528 50 0 HHAARO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc2c(c1)CCC2 ZINC000031344478 568924591 /nfs/dbraw/zinc/92/45/91/568924591.db2.gz MPCSBFCXDSBRFA-UHFFFAOYSA-N 1 0 418.463 3.740 50 0 HHAARO CCOC(=O)N1CCC[C@@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000084793553 568959909 /nfs/dbraw/zinc/95/99/09/568959909.db2.gz LGKDBUJYOXWBAU-LJQANCHMSA-N 1 0 421.969 3.633 50 0 HHAARO Cc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccnn1C(C)C ZINC000007985269 568964357 /nfs/dbraw/zinc/96/43/57/568964357.db2.gz HQSWEUIGOKUFHC-UHFFFAOYSA-N 1 0 421.589 3.994 50 0 HHAARO CSc1ccc(C[N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000008066100 568971253 /nfs/dbraw/zinc/97/12/53/568971253.db2.gz FRMYKNSMNFNZFR-UHFFFAOYSA-N 1 0 404.333 3.811 50 0 HHAARO O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097928 568973815 /nfs/dbraw/zinc/97/38/15/568973815.db2.gz HWLSGEYKKXXDKJ-UHFFFAOYSA-N 1 0 415.522 3.958 50 0 HHAARO CCc1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+](C)C)cc1 ZINC000012797623 568976448 /nfs/dbraw/zinc/97/64/48/568976448.db2.gz RGAMGITUBPYRQM-VXKWHMMOSA-N 1 0 413.537 3.562 50 0 HHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008389215 568996563 /nfs/dbraw/zinc/99/65/63/568996563.db2.gz VSQUHFUUDYDCMA-JOCHJYFZSA-N 1 0 423.520 3.939 50 0 HHAARO C[C@@H](NC(=O)CC[N@H+]1Cc2ccccc2O[C@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000104412329 569008737 /nfs/dbraw/zinc/00/87/37/569008737.db2.gz LEVBHEHWBXAUTO-RTBURBONSA-N 1 0 404.514 3.723 50 0 HHAARO Cc1cccc(C)c1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012876549 569013709 /nfs/dbraw/zinc/01/37/09/569013709.db2.gz GWERFOJAWGUNQA-UHFFFAOYSA-N 1 0 406.452 3.868 50 0 HHAARO CC(C)NC(=O)N1CCC[C@@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)C1 ZINC000035220100 569014166 /nfs/dbraw/zinc/01/41/66/569014166.db2.gz BKOBBYMKNYHCKH-DENIHFKCSA-N 1 0 414.594 3.588 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868568 569017339 /nfs/dbraw/zinc/01/73/39/569017339.db2.gz IZNQHZPZHPTPKV-LJQANCHMSA-N 1 0 424.589 3.791 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1nc(SC)ncc1Cl)c1cccc(OC)c1 ZINC000012893160 569020230 /nfs/dbraw/zinc/02/02/30/569020230.db2.gz QWNYFBLGXGICOC-MRXNPFEDSA-N 1 0 408.955 3.673 50 0 HHAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000012941845 569028690 /nfs/dbraw/zinc/02/86/90/569028690.db2.gz YEXNIWZJGOUGCL-JOCHJYFZSA-N 1 0 409.530 3.953 50 0 HHAARO Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)cc1 ZINC000006184592 569029082 /nfs/dbraw/zinc/02/90/82/569029082.db2.gz YPABCDSIAMXGAC-UHFFFAOYSA-N 1 0 412.559 3.711 50 0 HHAARO Cc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)c1 ZINC000035372506 569033894 /nfs/dbraw/zinc/03/38/94/569033894.db2.gz BVJKZPFEYSAYAO-UHFFFAOYSA-N 1 0 406.555 3.990 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3cccc(C)c3)nn2)C1 ZINC000035398224 569035078 /nfs/dbraw/zinc/03/50/78/569035078.db2.gz QNXOXNMJPQAJSH-OAQYLSRUSA-N 1 0 409.578 3.517 50 0 HHAARO C[C@H](C(=O)NCCC[NH+]1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454054 569037844 /nfs/dbraw/zinc/03/78/44/569037844.db2.gz NCFMHBRJIOZYPZ-IBGZPJMESA-N 1 0 424.589 3.648 50 0 HHAARO COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012997288 569048238 /nfs/dbraw/zinc/04/82/38/569048238.db2.gz AYHKUOXDIGOUHH-SFHVURJKSA-N 1 0 410.514 3.543 50 0 HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415028 569051565 /nfs/dbraw/zinc/05/15/65/569051565.db2.gz RNSYTVZHTBTVMV-SIKLNZKXSA-N 1 0 404.599 3.742 50 0 HHAARO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000241930299 569054974 /nfs/dbraw/zinc/05/49/74/569054974.db2.gz UHKWHLBHIMFQGW-XXBNENTESA-N 1 0 423.557 3.563 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000035808844 569060888 /nfs/dbraw/zinc/06/08/88/569060888.db2.gz LXGWRKRXKJDGPC-REIDKSKDSA-N 1 0 407.514 3.814 50 0 HHAARO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035908070 569065358 /nfs/dbraw/zinc/06/53/58/569065358.db2.gz GJMMNJHLDBUAMN-AZUAARDMSA-N 1 0 409.496 3.836 50 0 HHAARO C[N@H+](Cc1ccccc1NCC(=O)NC(=O)NCc1ccccc1)C1CCCCC1 ZINC000006582292 569067949 /nfs/dbraw/zinc/06/79/49/569067949.db2.gz KUMARJSQIRZQGB-UHFFFAOYSA-N 1 0 408.546 3.889 50 0 HHAARO COc1ccc([C@H](NC(=O)C[NH2+]CCOc2ccccc2OC)c2ccccc2)cc1 ZINC000016695494 569070794 /nfs/dbraw/zinc/07/07/94/569070794.db2.gz BDPWPRKFPNSSFV-RUZDIDTESA-N 1 0 420.509 3.578 50 0 HHAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)N(CC)C(=O)N[C@H]1c1ccsc1 ZINC000035991620 569074734 /nfs/dbraw/zinc/07/47/34/569074734.db2.gz DMLNUJWIPIVDDF-IBGZPJMESA-N 1 0 405.564 3.916 50 0 HHAARO Cc1c(O[C@@H](C)C(=O)NCCC[NH+](C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000006623729 569075303 /nfs/dbraw/zinc/07/53/03/569075303.db2.gz ITQMTVBLINFLCV-KRWDZBQOSA-N 1 0 408.498 3.604 50 0 biogenic HHAARO Cc1cc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)cc(=O)oc2c1 ZINC000006658679 569083507 /nfs/dbraw/zinc/08/35/07/569083507.db2.gz ACKDWBVCSKCWSD-OAHLLOKOSA-N 1 0 400.519 3.603 50 0 HHAARO Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659843 569084024 /nfs/dbraw/zinc/08/40/24/569084024.db2.gz DFHAUGGHFUPTDP-OAHLLOKOSA-N 1 0 400.519 3.603 50 0 HHAARO Cc1c(C)c(=O)oc2cc(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659878 569084086 /nfs/dbraw/zinc/08/40/86/569084086.db2.gz YRHYFDOBAFFVCI-HNNXBMFYSA-N 1 0 400.519 3.603 50 0 HHAARO Cc1cccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2ccc(F)cc2)c1 ZINC000036072515 569086771 /nfs/dbraw/zinc/08/67/71/569086771.db2.gz JPOOBSIQLBHNRE-UHFFFAOYSA-N 1 0 424.520 3.616 50 0 HHAARO O[C@H](COCc1ccco1)C[N@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103470 569092160 /nfs/dbraw/zinc/09/21/60/569092160.db2.gz KDSMPRFMIJRRFU-KRWDZBQOSA-N 1 0 401.484 3.650 50 0 HHAARO CCn1cc([C@@H](CC(=O)NCC[NH+](C)C)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000006713923 569097688 /nfs/dbraw/zinc/09/76/88/569097688.db2.gz YDDUSEZUBOBBBV-QFIPXVFZSA-N 1 0 423.557 3.878 50 0 HHAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccccc3Br)CC2)c1 ZINC000064818018 569101257 /nfs/dbraw/zinc/10/12/57/569101257.db2.gz QLFIHAITBMAVQD-UHFFFAOYSA-N 1 0 415.331 3.906 50 0 HHAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC[NH+]3CCCCCC3)c12 ZINC000006772886 569118197 /nfs/dbraw/zinc/11/81/97/569118197.db2.gz FXEBCQNWABJEBL-UHFFFAOYSA-N 1 0 405.546 3.952 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2nc3c(cc(C)cc3C)s2)C1 ZINC000006821279 569140527 /nfs/dbraw/zinc/14/05/27/569140527.db2.gz YUSSQFZNQATTJI-SFHVURJKSA-N 1 0 402.608 3.978 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCN4C(=O)CC)cc2)CC1 ZINC000065026855 569155826 /nfs/dbraw/zinc/15/58/26/569155826.db2.gz RDNZNCBTSIPQMF-UHFFFAOYSA-N 1 0 405.542 3.821 50 0 HHAARO COc1cc(C(C)=O)ccc1OCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000006862382 569158360 /nfs/dbraw/zinc/15/83/60/569158360.db2.gz NPTIBGNNBVGTJM-UHFFFAOYSA-N 1 0 402.535 3.582 50 0 HHAARO CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000006875518 569163133 /nfs/dbraw/zinc/16/31/33/569163133.db2.gz CSTVYIXVUKCMRA-LEWJYISDSA-N 1 0 411.571 3.651 50 0 HHAARO CCOCCCNC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000006877459 569164318 /nfs/dbraw/zinc/16/43/18/569164318.db2.gz HHIRBKULJVWRKA-INIZCTEOSA-N 1 0 404.580 3.704 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ncoc1-c1ccccc1C(=O)Nc1ccc(C)cc1 ZINC000065080172 569171414 /nfs/dbraw/zinc/17/14/14/569171414.db2.gz VPNSBSLLSOXIRJ-UHFFFAOYSA-N 1 0 420.513 3.974 50 0 HHAARO CC[C@H](C)[C@H]1Nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919971 569181785 /nfs/dbraw/zinc/18/17/85/569181785.db2.gz BJAZSKMNNHULRK-HRAATJIYSA-N 1 0 400.567 3.850 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171687 569190233 /nfs/dbraw/zinc/19/02/33/569190233.db2.gz FCOHRAVIGRMENF-OAQYLSRUSA-N 1 0 407.562 3.738 50 0 HHAARO O=C(NCCC[NH+]1CCCC1)c1ccc(-c2ccc(N3CCSCC3)nc2)cc1 ZINC000065178360 569191774 /nfs/dbraw/zinc/19/17/74/569191774.db2.gz BBBMFNSUHLSEHG-UHFFFAOYSA-N 1 0 410.587 3.518 50 0 HHAARO O=C(NCc1ccccc1Cl)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255999 569208160 /nfs/dbraw/zinc/20/81/60/569208160.db2.gz ANFSBJOZFKUWPJ-NRFANRHFSA-N 1 0 406.917 3.816 50 0 HHAARO CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000036613311 569209209 /nfs/dbraw/zinc/20/92/09/569209209.db2.gz BNGCFVOYPKLCMQ-IBGZPJMESA-N 1 0 403.530 3.655 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604711 569237175 /nfs/dbraw/zinc/23/71/75/569237175.db2.gz GENMROSVISJXQZ-XXBNENTESA-N 1 0 410.537 3.788 50 0 HHAARO O=S1(=O)CC[C@@]2(C1)C[C@@H]([NH2+]Cc1ccc(Oc3cc(F)cc(F)c3)cc1)CCO2 ZINC000170592039 569240707 /nfs/dbraw/zinc/24/07/07/569240707.db2.gz HUVCSEQOPXJLRC-RXVVDRJESA-N 1 0 423.481 3.583 50 0 HHAARO Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000007546075 569248956 /nfs/dbraw/zinc/24/89/56/569248956.db2.gz YHGSITVMLOOUQF-UHFFFAOYSA-N 1 0 422.558 3.606 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)[NH+]2CCCC2)cc1 ZINC000014238934 569259059 /nfs/dbraw/zinc/25/90/59/569259059.db2.gz VYDWZZAAXMRNGU-SFHVURJKSA-N 1 0 423.435 3.598 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000017012417 569271532 /nfs/dbraw/zinc/27/15/32/569271532.db2.gz NFJAVPCBWPLNSA-UHFFFAOYSA-N 1 0 415.541 3.891 50 0 HHAARO CCCc1nc2c3cc4c(nc3sc2c(=O)n1CCC[NH+](C)C)CC(C)(C)OC4 ZINC000002193453 569293877 /nfs/dbraw/zinc/29/38/77/569293877.db2.gz ILGUWFQCSZJWTG-UHFFFAOYSA-N 1 0 414.575 3.762 50 0 HHAARO [NH3+][C@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 ZINC000170676905 569297919 /nfs/dbraw/zinc/29/79/19/569297919.db2.gz QMDHWGAPJDNHPF-GOSISDBHSA-N 1 0 422.310 3.820 50 0 HHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000027735720 569391983 /nfs/dbraw/zinc/39/19/83/569391983.db2.gz VSFNLMCVWHSPCP-QFIPXVFZSA-N 1 0 409.530 3.953 50 0 HHAARO COc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)c(OC)c1 ZINC000013363891 569412073 /nfs/dbraw/zinc/41/20/73/569412073.db2.gz TWYMQHVDGDGSLQ-UHFFFAOYSA-N 1 0 415.509 3.919 50 0 HHAARO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000000722181 571041264 /nfs/dbraw/zinc/04/12/64/571041264.db2.gz CKPBRITYHLQBKZ-UHFFFAOYSA-N 1 0 417.431 3.514 50 0 HHAARO O=C(NCc1ccccc1Cl)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893851 571143209 /nfs/dbraw/zinc/14/32/09/571143209.db2.gz FFCONMVJTHCFBS-IBGZPJMESA-N 1 0 419.978 3.751 50 0 HHAARO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000040103421 571164035 /nfs/dbraw/zinc/16/40/35/571164035.db2.gz OZGJNKKETRNFOO-UHFFFAOYSA-N 1 0 402.926 3.560 50 0 HHAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000040158444 571204874 /nfs/dbraw/zinc/20/48/74/571204874.db2.gz DFVJEDAWJPXDFL-UHFFFAOYSA-N 1 0 410.562 3.788 50 0 HHAARO CC[NH+](CC)CCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000069139903 571207008 /nfs/dbraw/zinc/20/70/08/571207008.db2.gz NZTYPOMBWQCQSU-KRWDZBQOSA-N 1 0 402.366 3.596 50 0 HHAARO COc1ccc(OC)c([C@@H](C)NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000245237276 571219397 /nfs/dbraw/zinc/21/93/97/571219397.db2.gz HSPPQZKLKPXMJC-SJLPKXTDSA-N 1 0 418.559 3.624 50 0 HHAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c2)C1 ZINC000245237876 571219638 /nfs/dbraw/zinc/21/96/38/571219638.db2.gz BKOBBYMKNYHCKH-KNQAVFIVSA-N 1 0 414.594 3.588 50 0 HHAARO COc1cc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc(OC)c1OC ZINC000009336199 571249181 /nfs/dbraw/zinc/24/91/81/571249181.db2.gz FJWLXONVWCLCQW-UHFFFAOYSA-N 1 0 412.530 3.557 50 0 HHAARO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)nnn1-c1cccc(Cl)c1 ZINC000070012722 571254213 /nfs/dbraw/zinc/25/42/13/571254213.db2.gz ATGQVVROICYBQH-QGZVFWFLSA-N 1 0 401.942 3.756 50 0 HHAARO O=C1c2cccn2CC[C@@H]1[C@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1 ZINC000009498909 571263232 /nfs/dbraw/zinc/26/32/32/571263232.db2.gz XNYMQHDWHOGCCD-UYAOXDASSA-N 1 0 412.307 3.523 50 0 HHAARO Cc1cc(S(=O)(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1Cl ZINC000070922276 571281958 /nfs/dbraw/zinc/28/19/58/571281958.db2.gz PJPDWIBYQVSDHZ-UHFFFAOYSA-N 1 0 414.358 3.892 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009875524 571289258 /nfs/dbraw/zinc/28/92/58/571289258.db2.gz RPZFULNSWDUNNB-UHFFFAOYSA-N 1 0 408.546 3.655 50 0 HHAARO CC[NH+]1CCN(CCCNC(=O)Cn2c(-c3cccs3)cc3ccccc32)CC1 ZINC000022795480 571315412 /nfs/dbraw/zinc/31/54/12/571315412.db2.gz JAJZNTDJJGEWOB-UHFFFAOYSA-N 1 0 410.587 3.514 50 0 HHAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000035871505 571317007 /nfs/dbraw/zinc/31/70/07/571317007.db2.gz HYJDCEDDPYFPOB-QUCCMNQESA-N 1 0 407.480 3.590 50 0 HHAARO COc1ccc(-c2cc(C(=O)N(C)[C@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000011819102 962197520 /nfs/dbraw/zinc/19/75/20/962197520.db2.gz SMQIVJQBFNDWOP-NRFANRHFSA-N 1 0 418.541 3.864 50 0 HHAARO Cc1cc(C)c(C[NH+]2CCC3(CC[C@H](CNC(=O)c4cccnc4)O3)CC2)cc1C ZINC000011970945 962216864 /nfs/dbraw/zinc/21/68/64/962216864.db2.gz CWZWVJIXZPGYTH-HSZRJFAPSA-N 1 0 407.558 3.950 50 0 HHAARO CC(C)C[NH+]1CCC([C@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000012038395 962226210 /nfs/dbraw/zinc/22/62/10/962226210.db2.gz MKDCIAWZOTYRHI-QHCPKHFHSA-N 1 0 417.981 3.951 50 0 HHAARO O=C([C@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2)N1CCc2ccccc2C1 ZINC000012122659 962242259 /nfs/dbraw/zinc/24/22/59/962242259.db2.gz XKHUYWXIFANGTN-HSZRJFAPSA-N 1 0 402.538 3.809 50 0 HHAARO CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3ccc4cccc(F)c4n3)CC2)CC1 ZINC000012193744 962251393 /nfs/dbraw/zinc/25/13/93/962251393.db2.gz OSGHOTDWVXPMBG-UHFFFAOYSA-N 1 0 412.553 3.575 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]CCc1cccc(OC)c1)C3 ZINC000012218693 962255490 /nfs/dbraw/zinc/25/54/90/962255490.db2.gz WUDJNTUBIDTGKU-QGZVFWFLSA-N 1 0 411.571 3.956 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4scnc4C)C3)C2)c1 ZINC000012315959 962271320 /nfs/dbraw/zinc/27/13/20/962271320.db2.gz ZOPUIDSPNJAHKK-NRFANRHFSA-N 1 0 403.523 3.728 50 0 HHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 ZINC000012467644 962284676 /nfs/dbraw/zinc/28/46/76/962284676.db2.gz SGJAMJXECQHAMK-OAHLLOKOSA-N 1 0 422.545 3.796 50 0 HHAARO O=C(CCc1nc2ccccc2s1)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012612746 962301283 /nfs/dbraw/zinc/30/12/83/962301283.db2.gz SRROFXKSNLBOMN-IBGZPJMESA-N 1 0 405.567 3.977 50 0 HHAARO COc1ccc2c(c1)C=C([C@@H]1C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]14)CO2 ZINC000012612383 962301982 /nfs/dbraw/zinc/30/19/82/962301982.db2.gz MDQKNUCUTOGXNR-JTJYXVOQSA-N 1 0 402.494 3.741 50 0 HHAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014534530 962524641 /nfs/dbraw/zinc/52/46/41/962524641.db2.gz LFAYGNJPZOGOQI-LJQANCHMSA-N 1 0 410.562 3.575 50 0 HHAARO CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3c[nH]c4ccccc34)CC2)C1=O ZINC000014535191 962525294 /nfs/dbraw/zinc/52/52/94/962525294.db2.gz ITJVGVLMTBTJKB-UHFFFAOYSA-N 1 0 402.498 3.597 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000015062352 962643259 /nfs/dbraw/zinc/64/32/59/962643259.db2.gz MALQABHXHQJKDJ-IBGZPJMESA-N 1 0 402.432 3.991 50 0 HHAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)Cc1[nH]nc2ccccc21 ZINC000015063903 962644903 /nfs/dbraw/zinc/64/49/03/962644903.db2.gz FTIXMGMPLOZKCE-UHFFFAOYSA-N 1 0 408.521 3.658 50 0 HHAARO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](C4CCCCC4)CC3)c2C1=O ZINC000015070777 962647111 /nfs/dbraw/zinc/64/71/11/962647111.db2.gz JVKCXUIIAWEQLB-INIZCTEOSA-N 1 0 424.570 3.955 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)Cn2ccnc2)C2CCCC2)CC1 ZINC000015074778 962649870 /nfs/dbraw/zinc/64/98/70/962649870.db2.gz YPNSFEUIHZHWSR-UHFFFAOYSA-N 1 0 408.590 3.917 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000019740220 963374212 /nfs/dbraw/zinc/37/42/12/963374212.db2.gz ZDTKZPXDPNNJKK-JOCHJYFZSA-N 1 0 414.594 3.764 50 0 HHAARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000019839230 963376292 /nfs/dbraw/zinc/37/62/92/963376292.db2.gz UMNKVMHXBWOOKA-QHCPKHFHSA-N 1 0 405.542 3.702 50 0 HHAARO CCCn1ncc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020212491 963386140 /nfs/dbraw/zinc/38/61/40/963386140.db2.gz GFPBNXAIJQTLAC-JOCHJYFZSA-N 1 0 414.594 3.758 50 0 HHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000020363345 963387441 /nfs/dbraw/zinc/38/74/41/963387441.db2.gz SSUQNOHRNJOASY-GOSISDBHSA-N 1 0 420.513 3.688 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)C23CC4CC(CC(C4)C2)C3)c1=N ZINC000022780062 963715605 /nfs/dbraw/zinc/71/56/05/963715605.db2.gz RDABDVRRVUPTQC-SBTPEUDISA-N 1 0 410.606 3.841 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000023373543 963810626 /nfs/dbraw/zinc/81/06/26/963810626.db2.gz XQXQNWZVUHJGFH-LJQANCHMSA-N 1 0 408.546 3.719 50 0 HHAARO Cc1ccccc1CN1CCC([NH+]2CCC(C(=O)NCc3ccncc3C)CC2)CC1 ZINC000055183349 965777429 /nfs/dbraw/zinc/77/74/29/965777429.db2.gz PRKRGRIUOUPOMI-UHFFFAOYSA-N 1 0 420.601 3.691 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000055343476 965823694 /nfs/dbraw/zinc/82/36/94/965823694.db2.gz YJGZFCIQIOUXSI-JOCHJYFZSA-N 1 0 407.558 3.577 50 0 HHAARO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000039447897 966491812 /nfs/dbraw/zinc/49/18/12/966491812.db2.gz NTEWOQKWKJCVRE-DHIUTWEWSA-N 1 0 408.542 3.996 50 0 HHAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000039447898 966492417 /nfs/dbraw/zinc/49/24/17/966492417.db2.gz NTEWOQKWKJCVRE-XZOQPEGZSA-N 1 0 408.542 3.996 50 0 HHAARO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000039544237 966499546 /nfs/dbraw/zinc/49/95/46/966499546.db2.gz GXURHFUZUZWSSM-SFHVURJKSA-N 1 0 423.550 3.744 50 0 HHAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1ccccc1C(F)(F)F)CCO2 ZINC000067772250 968784260 /nfs/dbraw/zinc/78/42/60/968784260.db2.gz BGFOJKATQFWEPY-OAQYLSRUSA-N 1 0 408.464 3.869 50 0 HHAARO C[C@@H](C1CCN(C(=O)CN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1)[NH+]1CCCC1 ZINC000104454269 969201614 /nfs/dbraw/zinc/20/16/14/969201614.db2.gz PAVVRHKDIDMNTM-MSOLQXFVSA-N 1 0 419.997 3.646 50 0 HHAARO O=C(c1ccccc1OC[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)N1CCOCC1 ZINC000169765101 970473160 /nfs/dbraw/zinc/47/31/60/970473160.db2.gz CMTKCXMBSJLLKL-HXUWFJFHSA-N 1 0 400.563 3.973 50 0 HHAARO COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@H]([NH+]3CCCCC3)CCO4)CC2)cc1 ZINC000169784592 970481960 /nfs/dbraw/zinc/48/19/60/970481960.db2.gz ZSQVYUPLPNGMQJ-OAQYLSRUSA-N 1 0 412.574 3.753 50 0 HHAARO Cc1cc(C)n(CCC(=O)N2CCC3(CC2)C[C@@H]([N@H+](C)Cc2ccccc2)CCO3)n1 ZINC000169784566 970482062 /nfs/dbraw/zinc/48/20/62/970482062.db2.gz NGOHWVQOIMJQNT-QHCPKHFHSA-N 1 0 424.589 3.562 50 0 HHAARO CCOC(=O)CCNC(=O)N1CCC([N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000169791880 970483006 /nfs/dbraw/zinc/48/30/06/970483006.db2.gz GRIVABQZMFSAJP-QFIPXVFZSA-N 1 0 413.562 3.731 50 0 HHAARO CCOc1cc(C[NH+]2CCC(C)(c3noc(C4CCOCC4)n3)CC2)ccc1O ZINC000253404939 970560386 /nfs/dbraw/zinc/56/03/86/970560386.db2.gz IAQAYXRWQXIRLZ-UHFFFAOYSA-N 1 0 401.507 3.622 50 0 HHAARO CCNC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)Nc1ccccc1)[C@H]23 ZINC000257190103 970623663 /nfs/dbraw/zinc/62/36/63/970623663.db2.gz OINJETMGMFWXCU-NQAVQENRSA-N 1 0 412.578 3.700 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CN1Cc1cccc2ccccc21 ZINC000299757605 970720801 /nfs/dbraw/zinc/72/08/01/970720801.db2.gz KZCMIQVDXMTNMZ-UPVQGACJSA-N 1 0 405.517 3.848 50 0 HHAARO c1cnc2c(c1)nc([C@H]1CCCO1)n2C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000299756861 970720993 /nfs/dbraw/zinc/72/09/93/970720993.db2.gz GNRJWCZRYKQIKF-OAQYLSRUSA-N 1 0 420.513 3.891 50 0 HHAARO CCOc1ccc2nc(N3CCC([N@@H+]4CCC[C@@H]4c4nonc4C)CC3)nc(C)c2c1 ZINC000299780512 970723824 /nfs/dbraw/zinc/72/38/24/970723824.db2.gz APRBHPGHYXUFNO-OAQYLSRUSA-N 1 0 422.533 3.834 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]ccc3C(=O)N(C)C)C2)c(Cl)c1OC ZINC000409420171 972890212 /nfs/dbraw/zinc/89/02/12/972890212.db2.gz ZFADLKWWECXNSW-HNNXBMFYSA-N 1 0 405.926 3.767 50 0 HHAARO Cc1c(C(=O)Nc2ccc(C)c(F)c2)sc2nc(C)nc(N3CC[NH+](C)CC3)c12 ZINC000002911938 132259364 /nfs/dbraw/zinc/25/93/64/132259364.db2.gz ZSXLRXQCIPPUBL-UHFFFAOYSA-N 1 0 413.522 3.760 50 0 HHAARO Cc1c(C(=O)Nc2ccccc2Cl)sc2nc(C)nc(N3CC[NH+](C)CC3)c12 ZINC000002911927 132259380 /nfs/dbraw/zinc/25/93/80/132259380.db2.gz UQHZRHRDDGFSLK-UHFFFAOYSA-N 1 0 415.950 3.966 50 0 HHAARO O=C(C1CC[NH+](CCCc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000004550088 132278362 /nfs/dbraw/zinc/27/83/62/132278362.db2.gz LDUZCKBLKQDWKT-UHFFFAOYSA-N 1 0 409.549 3.819 50 0 HHAARO CCCC[N@H+](CCCNC(=O)CCN1C(=O)COc2ccccc21)Cc1ccccc1 ZINC000004687848 132283444 /nfs/dbraw/zinc/28/34/44/132283444.db2.gz WRCFILQWPGJVLO-UHFFFAOYSA-N 1 0 423.557 3.611 50 0 HHAARO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)ccc1Br ZINC000004706829 132284443 /nfs/dbraw/zinc/28/44/43/132284443.db2.gz KPOJMFKPLOGCCA-UHFFFAOYSA-N 1 0 402.336 3.908 50 0 HHAARO CCOc1ccccc1CN1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000004712102 132285252 /nfs/dbraw/zinc/28/52/52/132285252.db2.gz YWARWDVCGFNPOX-UHFFFAOYSA-N 1 0 409.574 3.881 50 0 HHAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3cccc(F)c3)n2)CC1 ZINC000009622903 132341891 /nfs/dbraw/zinc/34/18/91/132341891.db2.gz HCILRMNVXPNYEG-UHFFFAOYSA-N 1 0 417.492 3.840 50 0 HHAARO C[C@H](Cc1cccs1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 ZINC000011912664 132352241 /nfs/dbraw/zinc/35/22/41/132352241.db2.gz GFCBASNTPLFYEB-QGZVFWFLSA-N 1 0 421.570 3.980 50 0 HHAARO O=C(NC[C@H]1CCC[N@@H+](C2CCN(c3ccc(F)cc3)CC2)C1)c1cccs1 ZINC000012319021 132358498 /nfs/dbraw/zinc/35/84/98/132358498.db2.gz DUYSNMGJQSVZOP-QGZVFWFLSA-N 1 0 401.551 3.998 50 0 HHAARO O=C(NC[C@@H]1CCC[N@@H+](C2CCN(c3ccc(F)cc3)CC2)C1)c1cccs1 ZINC000012319020 132358525 /nfs/dbraw/zinc/35/85/25/132358525.db2.gz DUYSNMGJQSVZOP-KRWDZBQOSA-N 1 0 401.551 3.998 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc4c(s3)-c3ccccc3CC4)cn2)CC1 ZINC000012612623 132365339 /nfs/dbraw/zinc/36/53/39/132365339.db2.gz CZEWUFONJLVVBT-UHFFFAOYSA-N 1 0 404.539 3.913 50 0 HHAARO Cc1ccccc1CNc1nc(N2CCC([NH+]3CCCCC3)CC2)nc2c1cnn2C ZINC000021930487 132474101 /nfs/dbraw/zinc/47/41/01/132474101.db2.gz KCWFAFJJQJLEDU-UHFFFAOYSA-N 1 0 419.577 3.739 50 0 HHAARO CC(C)Cn1c(CC2(CC(=O)N[C@H]3CC[C@@H]([NH3+])CC3)CCCC2)nc2cccnc21 ZINC000248270026 519485689 /nfs/dbraw/zinc/48/56/89/519485689.db2.gz ZAMLIZOZKVBNBZ-KDURUIRLSA-N 1 0 411.594 3.966 50 0 HHAARO CC(=O)Nc1nc2ccc(CC(=O)NCCC[N@@H+](C)C3CCCCC3)cc2s1 ZINC000032959591 519753228 /nfs/dbraw/zinc/75/32/28/519753228.db2.gz WGXHLULYIZKKJK-UHFFFAOYSA-N 1 0 402.564 3.568 50 0 HHAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032779364 521232798 /nfs/dbraw/zinc/23/27/98/521232798.db2.gz FCHDMZWQBGCHSY-OAQYLSRUSA-N 1 0 409.530 3.523 50 0 HHAARO CCOc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000032915643 521448289 /nfs/dbraw/zinc/44/82/89/521448289.db2.gz QUBBCURFVWRKFZ-BUHFOSPRSA-N 1 0 407.558 3.552 50 0 HHAARO CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000000959117 522152401 /nfs/dbraw/zinc/15/24/01/522152401.db2.gz UTXHUAHPKUCYPD-UHFFFAOYSA-N 1 0 406.452 3.776 50 0 HHAARO COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000032930072 523789734 /nfs/dbraw/zinc/78/97/34/523789734.db2.gz NSTLFBBVBFKLPG-GOSISDBHSA-N 1 0 408.542 3.989 50 0 HHAARO COc1ccc(CCNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000032754960 523964179 /nfs/dbraw/zinc/96/41/79/523964179.db2.gz NQASDOHJALQZOZ-MBSDFSHPSA-N 1 0 411.546 3.771 50 0 HHAARO COc1cccc([C@@H](CNC(=O)c2cncn2-c2ccc(F)cc2)[NH+]2CCCC2)c1 ZINC000032841397 524098954 /nfs/dbraw/zinc/09/89/54/524098954.db2.gz MDFSZUBADMMQEN-OAQYLSRUSA-N 1 0 408.477 3.587 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2ccc[n+]([O-])c2)C2CCCC2)CC1 ZINC000012595832 525109170 /nfs/dbraw/zinc/10/91/70/525109170.db2.gz ASKOCOLPZKBYHG-UHFFFAOYSA-N 1 0 421.585 3.968 50 0 HHAARO COc1ccc([C@@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)[NH+]2CCCC2)cc1 ZINC000032679674 525188195 /nfs/dbraw/zinc/18/81/95/525188195.db2.gz VVURXOQAAYPVSX-HSZRJFAPSA-N 1 0 412.555 3.739 50 0 HHAARO Cc1ccc2c(c1)-c1onc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c1CO2 ZINC000032920448 526136357 /nfs/dbraw/zinc/13/63/57/526136357.db2.gz VFRYQHWRHYOCGC-UHFFFAOYSA-N 1 0 404.470 3.547 50 0 HHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000043991303 526156763 /nfs/dbraw/zinc/15/67/63/526156763.db2.gz PMCJEILIERUFKA-NRFANRHFSA-N 1 0 412.555 3.577 50 0 HHAARO CSc1ccccc1C[NH+]1CCC(CNS(=O)(=O)Cc2ccccc2)CC1 ZINC000043959468 526157516 /nfs/dbraw/zinc/15/75/16/526157516.db2.gz QMQOIHHKNWOWOQ-UHFFFAOYSA-N 1 0 404.601 3.740 50 0 HHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)COc2ccccc2F)CC1 ZINC000043991267 526158928 /nfs/dbraw/zinc/15/89/28/526158928.db2.gz IXHLNFBFBRLOKO-UHFFFAOYSA-N 1 0 402.535 3.955 50 0 HHAARO CSc1ccccc1C[NH+]1CCC(CNC(=O)c2cnc3ccccc3n2)CC1 ZINC000043991287 526159066 /nfs/dbraw/zinc/15/90/66/526159066.db2.gz PXAHZPJAJAXPPP-UHFFFAOYSA-N 1 0 406.555 3.994 50 0 HHAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600936 527564184 /nfs/dbraw/zinc/56/41/84/527564184.db2.gz LOGUSFOQXAHZOA-JOCHJYFZSA-N 1 0 415.528 3.502 50 0 HHAARO O=C(NCCC(c1ccccc1)c1ccccc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000032796806 527619013 /nfs/dbraw/zinc/61/90/13/527619013.db2.gz UMUYWJCPDHDHPQ-UHFFFAOYSA-N 1 0 420.601 3.632 50 0 HHAARO CC[C@@H](C)C[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011783485 535523279 /nfs/dbraw/zinc/52/32/79/535523279.db2.gz BHJGQJKOPPBAOG-GOSISDBHSA-N 1 0 423.557 3.950 50 0 HHAARO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4cc(F)ccc43)CC1)CCCC2 ZINC000000538312 557018369 /nfs/dbraw/zinc/01/83/69/557018369.db2.gz RAPZEAPATHNIPO-UHFFFAOYSA-N 1 0 410.493 3.590 50 0 fda HHAARO COC(=O)Cc1c[nH]c2cccc(OC[C@@H](O)C[N@H+](Cc3ccccc3)C(C)C)c12 ZINC000000984514 557131581 /nfs/dbraw/zinc/13/15/81/557131581.db2.gz KNQIJRKKVHHLNF-FQEVSTJZSA-N 1 0 410.514 3.534 50 0 HHAARO CN1CN(c2ccccc2)C2(CC[NH+](CCCC(=O)c3ccc(F)cc3)CC2)C1=O ZINC000002572278 557357370 /nfs/dbraw/zinc/35/73/70/557357370.db2.gz QHJLPOSPWKZACG-UHFFFAOYSA-N 1 0 409.505 3.559 50 0 in-man HHAARO Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)cc1Br ZINC000002857495 557407962 /nfs/dbraw/zinc/40/79/62/557407962.db2.gz SGKQISSSTQBPBS-UHFFFAOYSA-N 1 0 403.386 3.653 50 0 HHAARO CC(C)CCn1c2ccccc2nc1N1CCC[C@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000034906800 557474284 /nfs/dbraw/zinc/47/42/84/557474284.db2.gz IGHFWBVAXGDSBH-FQEVSTJZSA-N 1 0 411.594 3.511 50 0 HHAARO C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1I ZINC000004489117 557559434 /nfs/dbraw/zinc/55/94/34/557559434.db2.gz AZLNEGKRNAPIKU-AWEZNQCLSA-N 1 0 409.267 3.969 50 0 HHAARO CCCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(C)=O)ccc21 ZINC000022804440 557824686 /nfs/dbraw/zinc/82/46/86/557824686.db2.gz CCLLEHIEJGPDLW-UHFFFAOYSA-N 1 0 405.546 3.723 50 0 HHAARO Brc1cccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c1 ZINC000009224970 557829956 /nfs/dbraw/zinc/82/99/56/557829956.db2.gz FHEZBMBHFXAWCV-UHFFFAOYSA-N 1 0 404.337 3.697 50 0 HHAARO Cn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000022822047 557832681 /nfs/dbraw/zinc/83/26/81/557832681.db2.gz BKDZREILMCAWAM-UHFFFAOYSA-N 1 0 419.573 3.871 50 0 HHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741163 558261778 /nfs/dbraw/zinc/26/17/78/558261778.db2.gz AQAAOESVHFCTBB-QHCPKHFHSA-N 1 0 419.548 3.798 50 0 HHAARO COCC[N@H+](Cc1c(C(=O)N(C)CCc2ccccc2)nc2c(C)cccn12)C(C)C ZINC000019744599 558265189 /nfs/dbraw/zinc/26/51/89/558265189.db2.gz BKJWVXDDIZLUNR-UHFFFAOYSA-N 1 0 422.573 3.814 50 0 HHAARO COc1ccc(-n2cc(C[N@H+](C)C[C@H]3COCCO3)c(-c3cccc(F)c3)n2)cc1 ZINC000011661377 558265334 /nfs/dbraw/zinc/26/53/34/558265334.db2.gz TUIFMNBMCWMSSX-QFIPXVFZSA-N 1 0 411.477 3.534 50 0 HHAARO Cc1nccn1CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011663371 558267042 /nfs/dbraw/zinc/26/70/42/558267042.db2.gz IWAHKNGKXRPBQA-HXUWFJFHSA-N 1 0 402.970 3.648 50 0 HHAARO CCOC(=O)C1(CCOC)CC[NH+](Cc2ccc3cc(OCC)ccc3n2)CC1 ZINC000011667968 558269736 /nfs/dbraw/zinc/26/97/36/558269736.db2.gz CHXZKZDVOADWQV-UHFFFAOYSA-N 1 0 400.519 3.815 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)cc1OC ZINC000019758699 558275314 /nfs/dbraw/zinc/27/53/14/558275314.db2.gz AVIZEKIGHXXRMA-FQEVSTJZSA-N 1 0 400.567 3.689 50 0 HHAARO CC[C@H]1C[N@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000011786757 558276127 /nfs/dbraw/zinc/27/61/27/558276127.db2.gz FACYANXFTBYNML-IBGZPJMESA-N 1 0 417.937 3.683 50 0 HHAARO Cc1c(Cl)cccc1-c1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)o1 ZINC000019796849 558284486 /nfs/dbraw/zinc/28/44/86/558284486.db2.gz CAXIYXWBBGKNKT-UHFFFAOYSA-N 1 0 404.919 3.888 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)Cn1cc2ccccc2n1 ZINC000011838262 558285425 /nfs/dbraw/zinc/28/54/25/558285425.db2.gz YDRJCSKEGDQOJG-LJQANCHMSA-N 1 0 408.521 3.589 50 0 HHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 ZINC000011839570 558286148 /nfs/dbraw/zinc/28/61/48/558286148.db2.gz BUWZMFOVPMTYDW-VWLOTQADSA-N 1 0 408.590 3.991 50 0 HHAARO c1ccc(N2CCC([N@H+]3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)CC2)cc1 ZINC000019835722 558292825 /nfs/dbraw/zinc/29/28/25/558292825.db2.gz MAPRHSRCOWJUEF-AREMUKBSSA-N 1 0 404.602 3.942 50 0 HHAARO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000011881538 558295253 /nfs/dbraw/zinc/29/52/53/558295253.db2.gz ZXCYWQGODADRLZ-FQEVSTJZSA-N 1 0 408.571 3.896 50 0 HHAARO CCOC(=O)Cc1c(CN2CC[NH+](C)CC2)c2ccccc2n1Cc1ccccc1 ZINC000019857338 558296542 /nfs/dbraw/zinc/29/65/42/558296542.db2.gz KTLJJQUGOZBMBX-UHFFFAOYSA-N 1 0 405.542 3.543 50 0 HHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)c(OC)c1 ZINC000011946729 558302480 /nfs/dbraw/zinc/30/24/80/558302480.db2.gz VSHFXOLMUFCRCX-KRWDZBQOSA-N 1 0 406.592 3.708 50 0 HHAARO O=C1CC[N@@H+](Cc2ccc3c(c2)OCO3)CCN1Cc1ccccc1C(F)(F)F ZINC000012037405 558312077 /nfs/dbraw/zinc/31/20/77/558312077.db2.gz PLIXKYXDOZVHCU-UHFFFAOYSA-N 1 0 406.404 3.669 50 0 HHAARO COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([N@H+](C)CC(C)C)C4)c1 ZINC000012041184 558312794 /nfs/dbraw/zinc/31/27/94/558312794.db2.gz BPGOJUNFWXJYFX-QGZVFWFLSA-N 1 0 411.571 3.960 50 0 HHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C ZINC000012076036 558319941 /nfs/dbraw/zinc/31/99/41/558319941.db2.gz IXJIVEYAOTYGTM-OAQYLSRUSA-N 1 0 413.562 3.646 50 0 HHAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012090951 558324065 /nfs/dbraw/zinc/32/40/65/558324065.db2.gz SAENULSHNODELC-HXUWFJFHSA-N 1 0 423.948 3.589 50 0 HHAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000020100343 558331688 /nfs/dbraw/zinc/33/16/88/558331688.db2.gz QCXGKUMTNZMWAZ-UHFFFAOYSA-N 1 0 401.879 3.818 50 0 HHAARO COC1CC[NH+](Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1 ZINC000012200032 558351098 /nfs/dbraw/zinc/35/10/98/558351098.db2.gz RSRNRJDNPYYAJG-UHFFFAOYSA-N 1 0 420.557 3.568 50 0 HHAARO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000020377115 558358833 /nfs/dbraw/zinc/35/88/33/558358833.db2.gz WLEKKAOOXDJPCT-ZDUSSCGKSA-N 1 0 409.317 3.546 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCCc1ccncc1 ZINC000012246943 558361673 /nfs/dbraw/zinc/36/16/73/558361673.db2.gz URVPQDOWKBGPAF-SFHVURJKSA-N 1 0 415.921 3.567 50 0 HHAARO O=C(c1cccnc1)N1CCC[C@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000012282206 558365471 /nfs/dbraw/zinc/36/54/71/558365471.db2.gz RKYDHJRRZYHSQG-FQEVSTJZSA-N 1 0 411.571 3.562 50 0 HHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000012297644 558367682 /nfs/dbraw/zinc/36/76/82/558367682.db2.gz DCCIUPSZXFNWLE-UHFFFAOYSA-N 1 0 411.498 3.812 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH2+][C@@H](C)Cn2cncn2)cc1F ZINC000012298249 558368164 /nfs/dbraw/zinc/36/81/64/558368164.db2.gz BXLBMGRPVZWOMK-KRWDZBQOSA-N 1 0 420.492 3.765 50 0 HHAARO OCC[C@@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000020454935 558368679 /nfs/dbraw/zinc/36/86/79/558368679.db2.gz LTMZNPJOHOZUQA-XMMPIXPASA-N 1 0 403.586 3.743 50 0 HHAARO COCCN(Cc1cc(CC(C)C)n[nH]1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012302048 558371890 /nfs/dbraw/zinc/37/18/90/558371890.db2.gz BQUKZNYDUAGIJH-OAQYLSRUSA-N 1 0 424.633 3.936 50 0 HHAARO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000012315822 558379168 /nfs/dbraw/zinc/37/91/68/558379168.db2.gz VULJWMRSKXBTBS-SFHVURJKSA-N 1 0 419.932 3.600 50 0 HHAARO COc1ccc(/C=C/CN2CC[N@H+](Cc3ccc(OC)c(C)c3)[C@@H](CCO)C2)cc1 ZINC000020515862 558382781 /nfs/dbraw/zinc/38/27/81/558382781.db2.gz OTXKROYQFNDYJJ-OIUIXCLQSA-N 1 0 410.558 3.594 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(C)c2C)C1=O ZINC000020533482 558384649 /nfs/dbraw/zinc/38/46/49/558384649.db2.gz ZIVHAMCYCQHPMW-QZMYASAMSA-N 1 0 403.526 3.905 50 0 HHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(OC)c1 ZINC000012386706 558395596 /nfs/dbraw/zinc/39/55/96/558395596.db2.gz PWTDHFNSZJGFRR-IBGZPJMESA-N 1 0 422.569 3.980 50 0 HHAARO CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@@H]1CC[N@H+](C)C1 ZINC000012434203 558408178 /nfs/dbraw/zinc/40/81/78/558408178.db2.gz PJYXNHSNWJTANF-CQSZACIVSA-N 1 0 408.449 3.858 50 0 HHAARO CCN1CC[NH+](C2CCN(c3ccc(C(=O)N[C@@H](C)c4ccccc4)cc3)CC2)CC1 ZINC000020782996 558413172 /nfs/dbraw/zinc/41/31/72/558413172.db2.gz CHGKDFGMJBPNMR-NRFANRHFSA-N 1 0 420.601 3.784 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000012470948 558422108 /nfs/dbraw/zinc/42/21/08/558422108.db2.gz JDSOBLKXCUNPRG-UHFFFAOYSA-N 1 0 402.922 3.760 50 0 HHAARO CC[C@@H](COC)NC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012592134 558436130 /nfs/dbraw/zinc/43/61/30/558436130.db2.gz QRAKJXUPNTYMHY-KRWDZBQOSA-N 1 0 404.551 3.636 50 0 HHAARO C[NH+](C)CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccc(Cl)cc2s1 ZINC000004359192 558449446 /nfs/dbraw/zinc/44/94/46/558449446.db2.gz INAQABBHOJWKHJ-UHFFFAOYSA-N 1 0 417.918 3.929 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(ccc(C)c3C)s2)cc1 ZINC000004359381 558451376 /nfs/dbraw/zinc/45/13/76/558451376.db2.gz LEUPKEIAXMJKNJ-UHFFFAOYSA-N 1 0 411.527 3.908 50 0 HHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)CSc3ccccc3)sc2c1 ZINC000005239578 558451448 /nfs/dbraw/zinc/45/14/48/558451448.db2.gz BIINECZQSYNISF-UHFFFAOYSA-N 1 0 401.557 3.992 50 0 HHAARO CCOC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl ZINC000012712444 558453323 /nfs/dbraw/zinc/45/33/23/558453323.db2.gz NCEGWFVOFNLAKW-SFHVURJKSA-N 1 0 403.885 3.819 50 0 HHAARO CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060206377 558456713 /nfs/dbraw/zinc/45/67/13/558456713.db2.gz WKRNYVHMVIHKGH-UHFFFAOYSA-N 1 0 403.567 3.982 50 0 HHAARO CC[C@H](COC)NC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012756557 558460034 /nfs/dbraw/zinc/46/00/34/558460034.db2.gz OXUKFFBCQVIXHI-GOSISDBHSA-N 1 0 404.551 3.636 50 0 HHAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)c1cc(COc2ccc(F)cc2F)on1 ZINC000012760159 558460916 /nfs/dbraw/zinc/46/09/16/558460916.db2.gz QZABVATUARUTNP-UHFFFAOYSA-N 1 0 419.472 3.916 50 0 HHAARO O=C1CC2(CCCC2)C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022095474 558463406 /nfs/dbraw/zinc/46/34/06/558463406.db2.gz NGBAODJZSDNZFH-UHFFFAOYSA-N 1 0 417.553 3.670 50 0 HHAARO O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012802738 558472220 /nfs/dbraw/zinc/47/22/20/558472220.db2.gz VRXMMHHXBXJTRR-QPPBQGQZSA-N 1 0 423.557 3.957 50 0 HHAARO Cc1cc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c(C(C)C)cc1Cl ZINC000012995137 558498421 /nfs/dbraw/zinc/49/84/21/558498421.db2.gz KNBWQPCPQBNLSY-UHFFFAOYSA-N 1 0 416.953 3.936 50 0 HHAARO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000022759617 558508408 /nfs/dbraw/zinc/50/84/08/558508408.db2.gz VZDPWKSKGUQXCT-FQEVSTJZSA-N 1 0 413.543 3.894 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(F)ccc3F)C[C@@H]2CCO)c(C)c1C ZINC000022913030 558519937 /nfs/dbraw/zinc/51/99/37/558519937.db2.gz MHJUUMKETMQWDX-NRFANRHFSA-N 1 0 404.501 3.659 50 0 HHAARO c1[nH]nc(-c2cccc3ccccc32)c1C[NH2+]C[C@H](c1ccncc1)N1CCOCC1 ZINC000022913118 558520267 /nfs/dbraw/zinc/52/02/67/558520267.db2.gz XZEAKBGYMXVTKS-XMMPIXPASA-N 1 0 413.525 3.788 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000013494779 558534844 /nfs/dbraw/zinc/53/48/44/558534844.db2.gz LFLRGAAXIAHHDL-UHFFFAOYSA-N 1 0 423.517 3.963 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000023358913 558551410 /nfs/dbraw/zinc/55/14/10/558551410.db2.gz BWTYEMKWFDGXCF-FQEVSTJZSA-N 1 0 404.501 3.659 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)cc1C ZINC000023374082 558553918 /nfs/dbraw/zinc/55/39/18/558553918.db2.gz VVVGLEUFUMRMIO-QHCPKHFHSA-N 1 0 405.542 3.621 50 0 HHAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000023373902 558554216 /nfs/dbraw/zinc/55/42/16/558554216.db2.gz WZPORHGOAMRKDK-SANMLTNESA-N 1 0 407.602 3.657 50 0 HHAARO C[C@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000014142364 558625476 /nfs/dbraw/zinc/62/54/76/558625476.db2.gz NAJSUZJGAMTHKX-INIZCTEOSA-N 1 0 421.588 3.602 50 0 HHAARO CSc1ccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2=O)cc1 ZINC000025287786 558636808 /nfs/dbraw/zinc/63/68/08/558636808.db2.gz NBIGYDWDHMZCJE-SIKLNZKXSA-N 1 0 423.582 3.715 50 0 HHAARO COc1ccc([C@H](CNC(=O)Cc2ccc(NC(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000014233364 558640524 /nfs/dbraw/zinc/64/05/24/558640524.db2.gz QJQLRDKUJRFDAT-QHCPKHFHSA-N 1 0 409.530 3.540 50 0 HHAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)cc1 ZINC000014537887 558658760 /nfs/dbraw/zinc/65/87/60/558658760.db2.gz ZLVSUWRKFVZDCE-UHFFFAOYSA-N 1 0 415.578 3.996 50 0 HHAARO COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3COc4ccccc4O3)c2)cc1 ZINC000026305060 558658889 /nfs/dbraw/zinc/65/88/89/558658889.db2.gz JOLIELSHBZMONY-OAQYLSRUSA-N 1 0 404.466 3.877 50 0 HHAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000014731613 558665501 /nfs/dbraw/zinc/66/55/01/558665501.db2.gz XAMYXKXOYKRPQB-FQEVSTJZSA-N 1 0 406.574 3.615 50 0 HHAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000014744105 558668255 /nfs/dbraw/zinc/66/82/55/558668255.db2.gz JKVPZQHIPIJCOW-UHFFFAOYSA-N 1 0 405.542 3.937 50 0 HHAARO C[NH+](C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000027150489 558670275 /nfs/dbraw/zinc/67/02/75/558670275.db2.gz KDLLNOFSDNBCAF-JOCHJYFZSA-N 1 0 419.525 3.648 50 0 HHAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](CC(C)C)CC3)C2=O)c1 ZINC000014754697 558671720 /nfs/dbraw/zinc/67/17/20/558671720.db2.gz HDMNOMXFDVLKEG-UHFFFAOYSA-N 1 0 415.578 3.996 50 0 HHAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](C)Cc1cc3ccccc3s1)C2 ZINC000014755450 558671769 /nfs/dbraw/zinc/67/17/69/558671769.db2.gz RPFVAFQMGFCXCM-KRWDZBQOSA-N 1 0 408.571 3.860 50 0 HHAARO CCCOc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027663575 558678852 /nfs/dbraw/zinc/67/88/52/558678852.db2.gz JVAMFQHZLZTQAS-JOCHJYFZSA-N 1 0 415.965 3.847 50 0 HHAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027667522 558680078 /nfs/dbraw/zinc/68/00/78/558680078.db2.gz ANKLGLQNOJMSSY-HTAPYJJXSA-N 1 0 400.494 3.945 50 0 HHAARO COc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000027741174 558680698 /nfs/dbraw/zinc/68/06/98/558680698.db2.gz PCYOLLDAVSOJQP-INIZCTEOSA-N 1 0 404.532 3.731 50 0 HHAARO CSCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014952031 558681330 /nfs/dbraw/zinc/68/13/30/558681330.db2.gz BIAKYFLKXQUFME-FQEVSTJZSA-N 1 0 408.583 3.798 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000014954474 558682031 /nfs/dbraw/zinc/68/20/31/558682031.db2.gz NFEKTCXEGDHREA-UHFFFAOYSA-N 1 0 412.574 3.731 50 0 HHAARO CCC(CC)C(=O)N1CCC(Oc2ccc(C[N@H+](C)Cc3cnn(C)c3)cc2)CC1 ZINC000014995816 558696132 /nfs/dbraw/zinc/69/61/32/558696132.db2.gz RTDVZYXRTXKWBY-UHFFFAOYSA-N 1 0 412.578 3.858 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1nn(-c2ccc(C)c(C)c2)ccc1=O)c1ccccc1 ZINC000028292067 558697901 /nfs/dbraw/zinc/69/79/01/558697901.db2.gz PJBBMQVUXBLILZ-JOCHJYFZSA-N 1 0 418.541 3.662 50 0 HHAARO C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072277370 558703274 /nfs/dbraw/zinc/70/32/74/558703274.db2.gz LPDKOVIRMUYWOW-REWPJTCUSA-N 1 0 409.574 3.660 50 0 HHAARO C[NH+](C)C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971551 558708208 /nfs/dbraw/zinc/70/82/08/558708208.db2.gz JRWNHMFFAXYRSQ-WMZOPIPTSA-N 1 0 403.935 3.562 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c(Cl)c1 ZINC000015070601 558712570 /nfs/dbraw/zinc/71/25/70/558712570.db2.gz TWMHQIODQUHYQX-QGZVFWFLSA-N 1 0 406.954 3.916 50 0 HHAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000015078346 558717635 /nfs/dbraw/zinc/71/76/35/558717635.db2.gz WRZGLTKZVPPUAJ-XXIDSNJLSA-N 1 0 412.505 3.755 50 0 HHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc(-n3ccc4ccccc43)s2)CC1 ZINC000022937356 558724669 /nfs/dbraw/zinc/72/46/69/558724669.db2.gz XSZGEBNRZILURK-UHFFFAOYSA-N 1 0 410.587 3.840 50 0 HHAARO Fc1ccc([C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N2CCOCC2)cc1 ZINC000030544858 558732477 /nfs/dbraw/zinc/73/24/77/558732477.db2.gz FDNJRKVRWQDZNP-XMMPIXPASA-N 1 0 421.516 3.963 50 0 HHAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000015962642 558764167 /nfs/dbraw/zinc/76/41/67/558764167.db2.gz LVCIHPWPCYUVLT-UHFFFAOYSA-N 1 0 406.939 3.643 50 0 HHAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036047498 558797023 /nfs/dbraw/zinc/79/70/23/558797023.db2.gz GLOOWNAIGXEWER-UHFFFAOYSA-N 1 0 406.392 3.734 50 0 HHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)C1 ZINC000032984081 558805094 /nfs/dbraw/zinc/80/50/94/558805094.db2.gz QGYCCOUWAUMZJE-MMTNMYCKSA-N 1 0 419.525 3.910 50 0 HHAARO CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCC[NH3+])c1ccccc1 ZINC000043204022 558832283 /nfs/dbraw/zinc/83/22/83/558832283.db2.gz LLXISKGBWFTGEI-FQEVSTJZSA-N 1 0 420.485 3.880 50 0 investigational HHAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)CC2)c(C)c1C ZINC000033024418 558841778 /nfs/dbraw/zinc/84/17/78/558841778.db2.gz YDPPWTPUFTZAPV-KRWDZBQOSA-N 1 0 416.610 3.563 50 0 HHAARO Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000019222025 558852135 /nfs/dbraw/zinc/85/21/35/558852135.db2.gz KSPDKWKKIPFHSV-UHFFFAOYSA-N 1 0 424.574 3.803 50 0 HHAARO COCC[NH+]1CCC(CNC(=O)c2cccc(NCc3sccc3C)c2)CC1 ZINC000055281517 558878452 /nfs/dbraw/zinc/87/84/52/558878452.db2.gz GWWNHDQXKULTDT-UHFFFAOYSA-N 1 0 401.576 3.757 50 0 HHAARO CCc1ccccc1NC(=O)c1ccccc1NC(=O)CC[C@H](C)[NH+]1CCOCC1 ZINC000055393098 558881100 /nfs/dbraw/zinc/88/11/00/558881100.db2.gz VRENBMDELWWYPI-SFHVURJKSA-N 1 0 409.530 3.941 50 0 HHAARO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000057994489 558893347 /nfs/dbraw/zinc/89/33/47/558893347.db2.gz FGNQETTXZBFINL-QHCPKHFHSA-N 1 0 405.542 3.594 50 0 HHAARO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccc(CN2CCCC2=O)c1 ZINC000057994484 558893435 /nfs/dbraw/zinc/89/34/35/558893435.db2.gz FGNQETTXZBFINL-HSZRJFAPSA-N 1 0 405.542 3.594 50 0 HHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccccc2OC)CC1 ZINC000004690200 558899751 /nfs/dbraw/zinc/89/97/51/558899751.db2.gz SSCJYBBWLJSXSP-UHFFFAOYSA-N 1 0 410.514 3.621 50 0 HHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000004694365 558904103 /nfs/dbraw/zinc/90/41/03/558904103.db2.gz LGXGQDAJELHLHT-UHFFFAOYSA-N 1 0 410.514 3.621 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000058183514 558910426 /nfs/dbraw/zinc/91/04/26/558910426.db2.gz BGOJPQNVEUMVGW-MRXNPFEDSA-N 1 0 401.536 3.640 50 0 HHAARO CN(C[C@H](NC(=O)Cc1cccc2cccnc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058210602 558912169 /nfs/dbraw/zinc/91/21/69/558912169.db2.gz JZLLGBLEYDWDHE-DEOSSOPVSA-N 1 0 416.569 3.661 50 0 HHAARO O=C(NC[C@H]([C@@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(OCc2cccs2)cc1 ZINC000058331391 558920137 /nfs/dbraw/zinc/92/01/37/558920137.db2.gz VBZBPNSCOVIEGT-DYESRHJHSA-N 1 0 415.559 3.950 50 0 HHAARO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000058365064 558922190 /nfs/dbraw/zinc/92/21/90/558922190.db2.gz PVCMCJVMBOCTPR-UHFFFAOYSA-N 1 0 406.910 3.946 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058420908 558925873 /nfs/dbraw/zinc/92/58/73/558925873.db2.gz FEGLDIQAXYUPRV-OAQYLSRUSA-N 1 0 416.585 3.950 50 0 HHAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000058467154 558928004 /nfs/dbraw/zinc/92/80/04/558928004.db2.gz HDTJIBNWXVRKSM-OAQYLSRUSA-N 1 0 411.546 3.900 50 0 HHAARO Cc1cc(-n2c(C)cc(C[NH2+]C[C@@H](c3cccs3)N3CCN(C)CC3)c2C)no1 ZINC000022015871 558984283 /nfs/dbraw/zinc/98/42/83/558984283.db2.gz BUCCFVRURUDKOE-FQEVSTJZSA-N 1 0 413.591 3.530 50 0 HHAARO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4F)CC3)n2)cc1 ZINC000067604767 558988629 /nfs/dbraw/zinc/98/86/29/558988629.db2.gz YXMZRKASKXDLRR-UHFFFAOYSA-N 1 0 408.477 3.713 50 0 HHAARO Cc1cccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000067614219 558989476 /nfs/dbraw/zinc/98/94/76/558989476.db2.gz PZPSNVKGXJXABE-UHFFFAOYSA-N 1 0 404.514 3.916 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067622549 558989872 /nfs/dbraw/zinc/98/98/72/558989872.db2.gz VZJSONOBLIJRNF-UHFFFAOYSA-N 1 0 415.541 3.891 50 0 HHAARO CC(C)C(NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C(C)C ZINC000082087668 559036938 /nfs/dbraw/zinc/03/69/38/559036938.db2.gz GSZSPWNXSPQXTP-OAQYLSRUSA-N 1 0 400.611 3.555 50 0 HHAARO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCCC1 ZINC000082115024 559038958 /nfs/dbraw/zinc/03/89/58/559038958.db2.gz VBBJMQLVDACWLL-JOCHJYFZSA-N 1 0 412.622 3.939 50 0 HHAARO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)c1ccccc1 ZINC000082137204 559040302 /nfs/dbraw/zinc/04/03/02/559040302.db2.gz MNXOOURNQVKVFP-JOCHJYFZSA-N 1 0 420.601 3.810 50 0 HHAARO CC1(C)CC(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC(C)(C)[NH2+]1 ZINC000011422912 559075741 /nfs/dbraw/zinc/07/57/41/559075741.db2.gz FNSYTIYWKPKDKK-UHFFFAOYSA-N 1 0 406.530 3.952 50 0 HHAARO O=C1CC2(CN1Cc1ccccc1)CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000095519785 559085064 /nfs/dbraw/zinc/08/50/64/559085064.db2.gz YKTKLWNMIGWSCB-UHFFFAOYSA-N 1 0 400.526 3.887 50 0 HHAARO CN(Cc1nccs1)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095527027 559086074 /nfs/dbraw/zinc/08/60/74/559086074.db2.gz KKKQHXVFBSQARH-HXUWFJFHSA-N 1 0 403.592 3.779 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468994 559118960 /nfs/dbraw/zinc/11/89/60/559118960.db2.gz AFJONKXKVPKHIE-QHCPKHFHSA-N 1 0 415.585 3.967 50 0 HHAARO O=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100789895 559140868 /nfs/dbraw/zinc/14/08/68/559140868.db2.gz KOJFHACVEAYTSQ-IAGOWNOFSA-N 1 0 408.420 3.601 50 0 HHAARO CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N[C@H](CC[NH+](C)C)Cc1ccccc1 ZINC000004872566 559194608 /nfs/dbraw/zinc/19/46/08/559194608.db2.gz KXVQGLRGUCNYMM-DHIUTWEWSA-N 1 0 415.622 3.777 50 0 HHAARO COc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)c(OC)c1 ZINC000004921955 559206847 /nfs/dbraw/zinc/20/68/47/559206847.db2.gz MYCHZRCVLWHNNE-UHFFFAOYSA-N 1 0 419.481 3.881 50 0 HHAARO O=C(/C=C1\Sc2ccccc2NC1=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004931829 559209807 /nfs/dbraw/zinc/20/98/07/559209807.db2.gz SKFHECXRDHFFTF-XLNRJJMWSA-N 1 0 421.566 3.686 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[N@H+](C)Cc2ccccc2)c2ccccc21 ZINC000004936619 559211919 /nfs/dbraw/zinc/21/19/19/559211919.db2.gz HZFQVPPMBGGJNK-UHFFFAOYSA-N 1 0 423.582 3.752 50 0 HHAARO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000005057798 559238141 /nfs/dbraw/zinc/23/81/41/559238141.db2.gz SREWELXVCFVELC-MUHIBDNSSA-N 1 0 411.590 3.626 50 0 HHAARO COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CC[NH+](C)CC2)c(OC)c1 ZINC000005093824 559244466 /nfs/dbraw/zinc/24/44/66/559244466.db2.gz FZRKCEKKAABEDP-HXUWFJFHSA-N 1 0 423.513 3.678 50 0 HHAARO CCOC(=O)CCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)CC(C)C ZINC000005095566 559244946 /nfs/dbraw/zinc/24/49/46/559244946.db2.gz NKXVHSCBZRAWKS-OAQYLSRUSA-N 1 0 410.555 3.701 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2c(C)oc3c2C2=NCCN2C=N3)o1 ZINC000100696402 559257048 /nfs/dbraw/zinc/25/70/48/559257048.db2.gz KWPVOQNWZGESIV-MRXNPFEDSA-N 1 0 423.517 3.611 50 0 HHAARO Cn1cccc1[C@@H](CNS(=O)(=O)Cc1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000011897845 559265461 /nfs/dbraw/zinc/26/54/61/559265461.db2.gz LFRUBOQLYAJEFL-HXUWFJFHSA-N 1 0 409.983 3.715 50 0 HHAARO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000252488784 559277503 /nfs/dbraw/zinc/27/75/03/559277503.db2.gz IYXKAUUZZZYFJN-FQEVSTJZSA-N 1 0 404.599 3.871 50 0 HHAARO CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000006554649 560206174 /nfs/dbraw/zinc/20/61/74/560206174.db2.gz ZDNXZGYMXMNADE-ZTCOLXNVSA-N 1 0 412.530 3.663 50 0 biogenic,in-vitro HHAARO CCC1CCC([N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078806156 560540734 /nfs/dbraw/zinc/54/07/34/560540734.db2.gz CWVNGBSHLZZPPF-IRDVNMAFSA-N 1 0 405.558 3.750 50 0 HHAARO CSc1nc(C)c(CCC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)n1 ZINC000062582560 560632057 /nfs/dbraw/zinc/63/20/57/560632057.db2.gz BQHRANWZICNVGT-LJQANCHMSA-N 1 0 404.624 3.718 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000101189272 560788989 /nfs/dbraw/zinc/78/89/89/560788989.db2.gz FTUCIZNIMGFHOE-CCQQXMDGSA-N 1 0 403.526 3.905 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000106576344 560892670 /nfs/dbraw/zinc/89/26/70/560892670.db2.gz LRKYTJGKSXCYDT-WOJBJXKFSA-N 1 0 413.512 3.820 50 0 HHAARO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000108126545 560898080 /nfs/dbraw/zinc/89/80/80/560898080.db2.gz NQSUMJCNGCJJDJ-JLMWRMLUSA-N 1 0 407.624 3.538 50 0 HHAARO CC1CC[NH+](CCCCNC(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000045791436 568420922 /nfs/dbraw/zinc/42/09/22/568420922.db2.gz XCHVUKYUVJOGRF-QFIPXVFZSA-N 1 0 403.567 3.556 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000048221538 568432465 /nfs/dbraw/zinc/43/24/65/568432465.db2.gz HFTHEDRJGSYDLB-NRFANRHFSA-N 1 0 406.574 3.998 50 0 HHAARO Cc1cccc(N2CC[NH+](CC[C@@H](C)NC(=O)c3ccccc3-n3cccn3)CC2)c1 ZINC000048340837 568440354 /nfs/dbraw/zinc/44/03/54/568440354.db2.gz IDBSKLFGBQDOFH-OAQYLSRUSA-N 1 0 417.557 3.511 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000048373998 568442374 /nfs/dbraw/zinc/44/23/74/568442374.db2.gz ZCGYDLYJBSSASO-WOJBJXKFSA-N 1 0 407.558 3.553 50 0 HHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)C1 ZINC000012303510 568464917 /nfs/dbraw/zinc/46/49/17/568464917.db2.gz PIIGAWLGQYXMTR-QGZVFWFLSA-N 1 0 423.513 3.972 50 0 HHAARO Cc1cccc(C)c1-n1nnnc1SCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007379221 568480363 /nfs/dbraw/zinc/48/03/63/568480363.db2.gz OMFOGVMBDDYNRH-UHFFFAOYSA-N 1 0 422.558 3.606 50 0 HHAARO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000390827945 568491518 /nfs/dbraw/zinc/49/15/18/568491518.db2.gz MIOSFPFSZMLAKQ-DVKRWUGUSA-N 1 0 409.574 3.842 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)NC[C@H](c1ccsc1)N1CC[NH+](C)CC1 ZINC000022766994 568499168 /nfs/dbraw/zinc/49/91/68/568499168.db2.gz GNRNRYHVLMQTHR-QGZVFWFLSA-N 1 0 408.955 3.520 50 0 HHAARO CCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000095394971 568604412 /nfs/dbraw/zinc/60/44/12/568604412.db2.gz KXQCMWMQVQJNOJ-UHFFFAOYSA-N 1 0 402.922 3.898 50 0 HHAARO Cc1ccc2[nH]c3c(ncn(CCCN4CC[NH+](C5CCCCC5)CC4)c3=O)c2c1 ZINC000020438325 568607111 /nfs/dbraw/zinc/60/71/11/568607111.db2.gz RUSMMJCZDNOGDM-UHFFFAOYSA-N 1 0 407.562 3.527 50 0 HHAARO C[C@@H]1C[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447029 568612106 /nfs/dbraw/zinc/61/21/06/568612106.db2.gz QMIZSJPTEGBPQM-TZIWHRDSSA-N 1 0 405.542 3.953 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(CNc2nccc(C)n2)c1)c1ccco1 ZINC000095467418 568624610 /nfs/dbraw/zinc/62/46/10/568624610.db2.gz HNVODDPTGBLQKZ-FQEVSTJZSA-N 1 0 407.518 3.803 50 0 HHAARO C[C@@]1(COC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCC[N@@H+]1Cc1ccccc1 ZINC000095469299 568625451 /nfs/dbraw/zinc/62/54/51/568625451.db2.gz IMNOGQOFJGFLCI-QHCPKHFHSA-N 1 0 415.555 3.833 50 0 HHAARO O=C(c1ccccc1)N1c2ccccc2C[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000021018730 568658060 /nfs/dbraw/zinc/65/80/60/568658060.db2.gz RWVTWMGNYVSTBF-DEOSSOPVSA-N 1 0 417.553 3.735 50 0 HHAARO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095996279 568678926 /nfs/dbraw/zinc/67/89/26/568678926.db2.gz GROSREIMQAXVAN-QFBILLFUSA-N 1 0 405.539 3.652 50 0 HHAARO Cc1ccc(C)c([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CCc3cnn(C)c3)CC2)c1 ZINC000096183700 568703133 /nfs/dbraw/zinc/70/31/33/568703133.db2.gz HCGJYERKXUZRSL-AREMUKBSSA-N 1 0 416.569 3.903 50 0 HHAARO COc1ccc(CNc2nc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)cs2)cc1 ZINC000096221297 568705227 /nfs/dbraw/zinc/70/52/27/568705227.db2.gz RZYYNLKETUQJFJ-FXAWDEMLSA-N 1 0 414.575 3.758 50 0 biogenic HHAARO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000241126168 568730860 /nfs/dbraw/zinc/73/08/60/568730860.db2.gz JKAMFAAXOZSANA-HUUCEWRRSA-N 1 0 401.473 3.665 50 0 HHAARO C[C@@H](CC[NH+](C)C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253609937 568754982 /nfs/dbraw/zinc/75/49/82/568754982.db2.gz HBDQZJAFAVGPSS-PVQHALSMSA-N 1 0 407.639 3.536 50 0 HHAARO Cc1ccccc1Nc1nc(N2CCC([NH+]3CCCCC3)CC2)nc2c1cnn2C ZINC000021928634 568761571 /nfs/dbraw/zinc/76/15/71/568761571.db2.gz DLCLRLPHSSMEIN-UHFFFAOYSA-N 1 0 405.550 3.870 50 0 HHAARO C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCCO2 ZINC000022199048 568765268 /nfs/dbraw/zinc/76/52/68/568765268.db2.gz PEAROIOOXMSHHB-UHFFFAOYSA-N 1 0 423.282 3.820 50 0 HHAARO COc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000022200022 568765328 /nfs/dbraw/zinc/76/53/28/568765328.db2.gz DFTBZVUFIDCOJV-UHFFFAOYSA-N 1 0 421.463 3.860 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000261491757 568820189 /nfs/dbraw/zinc/82/01/89/568820189.db2.gz HNOFIJFLRJZDAE-UHFFFAOYSA-N 1 0 412.950 3.748 50 0 HHAARO Cc1ccc(Cn2cc(C[NH2+]CCCSc3nnnn3C)c3ccccc32)cc1 ZINC000261492493 568820433 /nfs/dbraw/zinc/82/04/33/568820433.db2.gz YFPIKONKRZBOEP-UHFFFAOYSA-N 1 0 406.559 3.794 50 0 HHAARO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000057335787 568827127 /nfs/dbraw/zinc/82/71/27/568827127.db2.gz AAFROORYUVWYKL-LBPRGKRZSA-N 1 0 423.307 3.764 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)[NH+]2CCCCC2)cc1 ZINC000029755184 568828837 /nfs/dbraw/zinc/82/88/37/568828837.db2.gz QPMLLUUNWOCVIN-QFIPXVFZSA-N 1 0 421.545 3.551 50 0 HHAARO C[C@@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000057435057 568836576 /nfs/dbraw/zinc/83/65/76/568836576.db2.gz ZDMVQSSFTYQNHF-HXUWFJFHSA-N 1 0 418.541 3.891 50 0 HHAARO O[C@@]1(c2ccc(Br)cc2)C[N+](CCc2ccccc2)=C2SCCCN21 ZINC000003227388 568847346 /nfs/dbraw/zinc/84/73/46/568847346.db2.gz ZWKGBJLWMIMYAE-HXUWFJFHSA-N 1 0 418.380 3.658 50 0 HHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000230142477 568852396 /nfs/dbraw/zinc/85/23/96/568852396.db2.gz LSKQHNKOLJTEPH-YWZLYKJASA-N 1 0 402.336 3.627 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012551241 568853031 /nfs/dbraw/zinc/85/30/31/568853031.db2.gz YAPLESTUCJFKDN-CTNGQTDRSA-N 1 0 415.509 3.517 50 0 HHAARO O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000230247872 568856554 /nfs/dbraw/zinc/85/65/54/568856554.db2.gz QZBGWHXOWHIDJF-FCHUYYIVSA-N 1 0 423.582 3.802 50 0 HHAARO CCCn1c2cc(C)ccc2cc(C[NH2+]CC2(N3CCOCC3)CCCCC2)c1=O ZINC000299769997 568874121 /nfs/dbraw/zinc/87/41/21/568874121.db2.gz KQSJIZZGXQLOSD-UHFFFAOYSA-N 1 0 411.590 3.845 50 0 HHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccc(Nc4ncccn4)c3)CC2)cc1 ZINC000030615821 568876222 /nfs/dbraw/zinc/87/62/22/568876222.db2.gz AFTFBBKJSIYMJG-UHFFFAOYSA-N 1 0 417.513 3.577 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccccc1Br ZINC000015361994 568882643 /nfs/dbraw/zinc/88/26/43/568882643.db2.gz JQALLLFQZMYAHA-UHFFFAOYSA-N 1 0 411.365 3.769 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000031662848 568929100 /nfs/dbraw/zinc/92/91/00/568929100.db2.gz PNIAURQIGNOZNL-RBUKOAKNSA-N 1 0 413.484 3.840 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012783415 568958927 /nfs/dbraw/zinc/95/89/27/568958927.db2.gz NGUQYLOOISEJCU-LBPRGKRZSA-N 1 0 405.848 3.630 50 0 HHAARO CCOC(=O)N1CCC[C@H](C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)C1 ZINC000084793552 568959853 /nfs/dbraw/zinc/95/98/53/568959853.db2.gz LGKDBUJYOXWBAU-IBGZPJMESA-N 1 0 421.969 3.633 50 0 HHAARO CC[C@@H](C)[N@H+](CCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccco1 ZINC000015674415 568962835 /nfs/dbraw/zinc/96/28/35/568962835.db2.gz JGVZIHYDWOWZQP-MRXNPFEDSA-N 1 0 408.502 3.603 50 0 HHAARO CC(C)(C)OC(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000008012647 568968397 /nfs/dbraw/zinc/96/83/97/568968397.db2.gz BVACXDCABZZCRE-UHFFFAOYSA-N 1 0 401.551 3.546 50 0 HHAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)c(C)o2)cc1OC ZINC000005043045 568969264 /nfs/dbraw/zinc/96/92/64/568969264.db2.gz KDYTYVDQURHACL-UHFFFAOYSA-N 1 0 413.518 3.502 50 0 HHAARO O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012823726 569007522 /nfs/dbraw/zinc/00/75/22/569007522.db2.gz JUWDXVPFXBONNP-QGZVFWFLSA-N 1 0 411.452 3.943 50 0 HHAARO O=C(NCC[N@H+](CCc1ccccc1)Cc1ccco1)N[C@@H]1COc2ccccc2C1 ZINC000015787326 569007866 /nfs/dbraw/zinc/00/78/66/569007866.db2.gz STGQYHAYOMRZSY-QFIPXVFZSA-N 1 0 419.525 3.627 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3F)C[C@H]2CCO)c(C)c1C ZINC000104424753 569008704 /nfs/dbraw/zinc/00/87/04/569008704.db2.gz ADDCXGLYTGBESL-OAQYLSRUSA-N 1 0 404.501 3.659 50 0 HHAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982649 569009853 /nfs/dbraw/zinc/00/98/53/569009853.db2.gz KWSJNFCNEDZEJS-VQTJNVASSA-N 1 0 400.494 3.607 50 0 HHAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000006125894 569009873 /nfs/dbraw/zinc/00/98/73/569009873.db2.gz ITMFKGKVXRUJLU-UHFFFAOYSA-N 1 0 414.521 3.756 50 0 HHAARO Cc1ccc(C[NH+]2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)cc1 ZINC000035430958 569037015 /nfs/dbraw/zinc/03/70/15/569037015.db2.gz YZISUQGRKWYHDW-UHFFFAOYSA-N 1 0 412.331 3.669 50 0 HHAARO Cc1cccc(-c2cnc(N3CCC(C(=O)NCCC[NH+]4CCCCC4)CC3)nc2)c1 ZINC000035455221 569037870 /nfs/dbraw/zinc/03/78/70/569037870.db2.gz BBRLAADZYZPFSD-UHFFFAOYSA-N 1 0 421.589 3.661 50 0 HHAARO CCOc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127726 569047101 /nfs/dbraw/zinc/04/71/01/569047101.db2.gz LDTXHROVMNEVRB-UHFFFAOYSA-N 1 0 408.589 3.646 50 0 HHAARO COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000012997286 569048201 /nfs/dbraw/zinc/04/82/01/569048201.db2.gz AYHKUOXDIGOUHH-GOSISDBHSA-N 1 0 410.514 3.543 50 0 HHAARO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570500 569052120 /nfs/dbraw/zinc/05/21/20/569052120.db2.gz BAMQVPYWMNHYKI-KEAGSLSDSA-N 1 0 409.574 3.811 50 0 HHAARO CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)s1 ZINC000089289886 569058037 /nfs/dbraw/zinc/05/80/37/569058037.db2.gz PYZLSYXOQDDPCN-SJORKVTESA-N 1 0 406.596 3.799 50 0 HHAARO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199272 569059059 /nfs/dbraw/zinc/05/90/59/569059059.db2.gz XXEFNKUKVVUJPS-YDLSIGKMSA-N 1 0 403.530 3.507 50 0 HHAARO CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)NC(C)C)ccc1N(C)C ZINC000006722339 569099477 /nfs/dbraw/zinc/09/94/77/569099477.db2.gz OHLMUOXJYDONPY-UHFFFAOYSA-N 1 0 419.614 3.609 50 0 HHAARO COc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCCCCC4)nn3)n2)cc1 ZINC000064838045 569106189 /nfs/dbraw/zinc/10/61/89/569106189.db2.gz COIJJFGZCUWQPE-UHFFFAOYSA-N 1 0 408.506 3.880 50 0 HHAARO COCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c2cc(Cl)ccc21 ZINC000169680686 569127356 /nfs/dbraw/zinc/12/73/56/569127356.db2.gz BXWNTNUOICLLTI-UZLBHIALSA-N 1 0 403.954 3.935 50 0 biogenic HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@@H]2c2ccccc2)CC1 ZINC000036341574 569141964 /nfs/dbraw/zinc/14/19/64/569141964.db2.gz ODWRDNJPDUPPOR-XMMPIXPASA-N 1 0 404.558 3.619 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343591 569142396 /nfs/dbraw/zinc/14/23/96/569142396.db2.gz SSIIZLKBNNQIGH-RUZDIDTESA-N 1 0 418.585 3.927 50 0 HHAARO CCOc1ccc([C@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036344023 569142524 /nfs/dbraw/zinc/14/25/24/569142524.db2.gz CNGKKYQIACHCLB-HSZRJFAPSA-N 1 0 407.514 3.867 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344588 569142625 /nfs/dbraw/zinc/14/26/25/569142625.db2.gz DIXWPYZEDQDLJO-DEOSSOPVSA-N 1 0 404.558 3.619 50 0 HHAARO CC1CC[NH+](CCCNC(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)CC1 ZINC000064989187 569145859 /nfs/dbraw/zinc/14/58/59/569145859.db2.gz PGSWVTFXGJMALN-UHFFFAOYSA-N 1 0 407.562 3.596 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989353 569145880 /nfs/dbraw/zinc/14/58/80/569145880.db2.gz WJMVTEVFSCYYII-IBGZPJMESA-N 1 0 407.562 3.738 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCNC(=O)c2ccsc2)C1 ZINC000036395379 569168782 /nfs/dbraw/zinc/16/87/82/569168782.db2.gz ADAHXZOVQFKCGT-SFHVURJKSA-N 1 0 413.587 3.806 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCNC(=O)c3cc(F)c(F)cc3Cl)CC2)c1 ZINC000036397325 569169920 /nfs/dbraw/zinc/16/99/20/569169920.db2.gz KPKKVAQXLSUODH-UHFFFAOYSA-N 1 0 407.892 3.869 50 0 HHAARO Cc1ccc(Oc2nccnc2SCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000065111028 569178812 /nfs/dbraw/zinc/17/88/12/569178812.db2.gz CGXXIIAISOEHMD-UHFFFAOYSA-N 1 0 400.548 3.662 50 0 HHAARO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1 ZINC000065257017 569208498 /nfs/dbraw/zinc/20/84/98/569208498.db2.gz UMZDBIHBAWNKRN-OAQYLSRUSA-N 1 0 420.488 3.850 50 0 HHAARO CC(C)N(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCOCC1 ZINC000524730789 569212019 /nfs/dbraw/zinc/21/20/19/569212019.db2.gz XGRKYXWZXZFHOU-FCHUYYIVSA-N 1 0 401.595 3.885 50 0 HHAARO Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007097264 569219589 /nfs/dbraw/zinc/21/95/89/569219589.db2.gz CBUHACKRVJNPLM-UHFFFAOYSA-N 1 0 407.543 3.902 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000065492783 569232394 /nfs/dbraw/zinc/23/23/94/569232394.db2.gz QMSFHZMUMDOXKD-FQEVSTJZSA-N 1 0 410.537 3.616 50 0 HHAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065500295 569232558 /nfs/dbraw/zinc/23/25/58/569232558.db2.gz WRDANEXHDSZJIY-NRFANRHFSA-N 1 0 410.537 3.747 50 0 HHAARO CCN(Cc1cccs1)C(=O)CCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000170595758 569241671 /nfs/dbraw/zinc/24/16/71/569241671.db2.gz BKODUMQVBXHOHV-UHFFFAOYSA-N 1 0 409.596 3.866 50 0 HHAARO O=C(C[C@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000170610649 569245308 /nfs/dbraw/zinc/24/53/08/569245308.db2.gz QZBGWHXOWHIDJF-FGZHOGPDSA-N 1 0 423.582 3.802 50 0 HHAARO O=C(NCC[NH+]1CCCCC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000013579384 569256223 /nfs/dbraw/zinc/25/62/23/569256223.db2.gz OMUGZPQTSMRGJQ-QJOMJCCJSA-N 1 0 416.525 3.541 50 0 HHAARO Cc1cccc2c1cnn2C(=O)CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006750251 569260262 /nfs/dbraw/zinc/26/02/62/569260262.db2.gz ULCYDUFTKXQMKD-UHFFFAOYSA-N 1 0 404.514 3.546 50 0 HHAARO Cc1nn(-c2ccccc2)nc1C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000014515261 569260272 /nfs/dbraw/zinc/26/02/72/569260272.db2.gz STZGTILMZWGVMO-IBGZPJMESA-N 1 0 409.559 3.840 50 0 HHAARO O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1COc2ccccc2C1 ZINC000089857886 569267151 /nfs/dbraw/zinc/26/71/51/569267151.db2.gz LAIVNCLZGAUMQY-GOSISDBHSA-N 1 0 414.933 3.551 50 0 HHAARO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@@H]3CCN(CC(F)(F)F)C3=O)cc2)c1 ZINC000237359949 569281845 /nfs/dbraw/zinc/28/18/45/569281845.db2.gz PGAVOGHVXVHVKS-LJQANCHMSA-N 1 0 424.419 3.749 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002234549 569320663 /nfs/dbraw/zinc/32/06/63/569320663.db2.gz GXQMSWKNMKTJBC-HUUCEWRRSA-N 1 0 401.507 3.660 50 0 HHAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819766 569320745 /nfs/dbraw/zinc/32/07/45/569320745.db2.gz JSTIRNGQEBXBOV-JOCHJYFZSA-N 1 0 405.627 3.523 50 0 HHAARO Cc1c[nH]c(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)n1 ZINC000012204008 569367253 /nfs/dbraw/zinc/36/72/53/569367253.db2.gz AUFSXDGTIVIQSP-DEOSSOPVSA-N 1 0 408.590 3.579 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000002294138 569369325 /nfs/dbraw/zinc/36/93/25/569369325.db2.gz ARGLLOMHEHTLDT-NSHDSACASA-N 1 0 408.296 3.530 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c(nc(C)n2n1)sc1c3[C@@H](C)CCC1 ZINC000002435275 569399503 /nfs/dbraw/zinc/39/95/03/569399503.db2.gz UILPEXVXZNZJAK-ZDUSSCGKSA-N 1 0 414.579 3.549 50 0 HHAARO CCCC[N@H+](C[C@@H](O)COc1cccc(C)c1)C[C@H](O)COc1cccc(C)c1 ZINC000013149383 569410106 /nfs/dbraw/zinc/41/01/06/569410106.db2.gz LGFPCLMEHARZNY-SZPZYZBQSA-N 1 0 401.547 3.585 50 0 HHAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)c1 ZINC000079024378 569424599 /nfs/dbraw/zinc/42/45/99/569424599.db2.gz BUIGRYTWMJQJQY-FCEWJHQRSA-N 1 0 418.559 3.531 50 0 HHAARO C[NH+](C)CCN(C(=O)Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)C1CCCC1 ZINC000079052690 569425721 /nfs/dbraw/zinc/42/57/21/569425721.db2.gz VAMRJXWETUQJCP-UHFFFAOYSA-N 1 0 410.444 3.624 50 0 HHAARO Nc1c(-c2ccc(F)cc2)nsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000067334798 571079437 /nfs/dbraw/zinc/07/94/37/571079437.db2.gz PMOGFYYKGFSORL-UHFFFAOYSA-N 1 0 410.518 3.926 50 0 HHAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1ccccc1SCc1ccc(F)cc1 ZINC000670473388 571105752 /nfs/dbraw/zinc/10/57/52/571105752.db2.gz MVCVYKBXPNDQLF-IBGZPJMESA-N 1 0 402.535 3.695 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1nccnc1-c1nc2ccccc2s1 ZINC000008778267 571118495 /nfs/dbraw/zinc/11/84/95/571118495.db2.gz CXCHDJUPYZTQEY-MRXNPFEDSA-N 1 0 419.510 3.913 50 0 HHAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008864271 571128946 /nfs/dbraw/zinc/12/89/46/571128946.db2.gz QKVXCRASHYZCSE-MRXNPFEDSA-N 1 0 411.449 3.659 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 ZINC000039550978 571132832 /nfs/dbraw/zinc/13/28/32/571132832.db2.gz PECYNMPOKKGGNH-CTNGQTDRSA-N 1 0 421.919 3.876 50 0 HHAARO Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1F ZINC000008893353 571143116 /nfs/dbraw/zinc/14/31/16/571143116.db2.gz YLFWZWWLHLRHTG-LJQANCHMSA-N 1 0 403.523 3.868 50 0 HHAARO CC1CC[NH+](Cc2ccc(CNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)CC1 ZINC000040060388 571147166 /nfs/dbraw/zinc/14/71/66/571147166.db2.gz PNUVUCOWKIYAOK-UHFFFAOYSA-N 1 0 419.525 3.652 50 0 HHAARO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccc(Br)cc3F)cc2)CC1 ZINC000040089763 571159640 /nfs/dbraw/zinc/15/96/40/571159640.db2.gz KQHWZFFWIJXGRW-UHFFFAOYSA-N 1 0 406.299 3.588 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000040104528 571165437 /nfs/dbraw/zinc/16/54/37/571165437.db2.gz AOMPILWHFJMINC-JOCHJYFZSA-N 1 0 410.562 3.928 50 0 HHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(I)cc2)C1 ZINC000040108165 571168088 /nfs/dbraw/zinc/16/80/88/571168088.db2.gz SAXLALUPFUTJHW-AWEZNQCLSA-N 1 0 400.304 3.533 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Cc1cc2ccccc2[nH]c1=O ZINC000040112382 571170604 /nfs/dbraw/zinc/17/06/04/571170604.db2.gz MAEUZGHBRIBLJT-SFHVURJKSA-N 1 0 403.526 3.761 50 0 HHAARO C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)cc1 ZINC000040121105 571176971 /nfs/dbraw/zinc/17/69/71/571176971.db2.gz UHHCTXZRVNDXIP-KRWDZBQOSA-N 1 0 419.447 3.754 50 0 HHAARO COc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1N1CCCCC1=O ZINC000040121329 571177237 /nfs/dbraw/zinc/17/72/37/571177237.db2.gz JCOKNYUPHQDVAL-QGZVFWFLSA-N 1 0 416.547 3.698 50 0 HHAARO CCOc1cccc2c1OCC(C(=O)Nc1ccccc1N1CC[NH+](CC)CC1)=C2 ZINC000040130770 571182648 /nfs/dbraw/zinc/18/26/48/571182648.db2.gz DEUOAFPXPYINIH-UHFFFAOYSA-N 1 0 407.514 3.642 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000009387985 571254310 /nfs/dbraw/zinc/25/43/10/571254310.db2.gz RBXQVJFGRLIDPK-UHFFFAOYSA-N 1 0 408.521 3.750 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)c1cn(-c2cccc(OC)c2)c(=O)c2ccccc12 ZINC000009438809 571259035 /nfs/dbraw/zinc/25/90/35/571259035.db2.gz NZGZYECMHYRFKB-UHFFFAOYSA-N 1 0 421.541 3.851 50 0 HHAARO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009446731 571259597 /nfs/dbraw/zinc/25/95/97/571259597.db2.gz YBMMTGPAAXNDSS-RDJZCZTQSA-N 1 0 423.538 3.909 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000009515655 571264934 /nfs/dbraw/zinc/26/49/34/571264934.db2.gz QRWIXXOSXPJGSH-GOSISDBHSA-N 1 0 401.894 3.627 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cccc(N3CCCC3=O)c2)[NH+]2CCCCC2)cc1 ZINC000009581569 571270895 /nfs/dbraw/zinc/27/08/95/571270895.db2.gz IQVAXQUAEFVSMJ-QHCPKHFHSA-N 1 0 421.541 3.779 50 0 HHAARO Cc1ccsc1CN(C)C(=O)CSc1ncnc2c1cnn2-c1ccccc1 ZINC000009834969 571287718 /nfs/dbraw/zinc/28/77/18/571287718.db2.gz AJWJOYIUMYZBQF-UHFFFAOYSA-N 1 0 409.540 3.936 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1cccc(F)c1 ZINC000010233203 571297611 /nfs/dbraw/zinc/29/76/11/571297611.db2.gz NBBNGYLJMBVTEZ-NRFANRHFSA-N 1 0 424.472 3.828 50 0 HHAARO COc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010333907 571300587 /nfs/dbraw/zinc/30/05/87/571300587.db2.gz UCKWIEGWKYFQSJ-HSZRJFAPSA-N 1 0 417.509 3.740 50 0 HHAARO Brc1cc(C[NH2+]CCCN2CCc3ccccc3C2)cc2c1OCO2 ZINC000071804956 571301847 /nfs/dbraw/zinc/30/18/47/571301847.db2.gz SDNIPTQWECMXMD-UHFFFAOYSA-N 1 0 403.320 3.716 50 0 HHAARO Cn1cc([C@@H](CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)[NH+](C)C)c2ccccc21 ZINC000077200995 571313330 /nfs/dbraw/zinc/31/33/30/571313330.db2.gz MALZCGNYDYQILA-HSZRJFAPSA-N 1 0 419.504 3.751 50 0 HHAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000035871504 571317080 /nfs/dbraw/zinc/31/70/80/571317080.db2.gz HYJDCEDDPYFPOB-ICSRJNTNSA-N 1 0 407.480 3.590 50 0 HHAARO CCC[NH+](CCC)C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000002989825 960477075 /nfs/dbraw/zinc/47/70/75/960477075.db2.gz HCPROOPSWLBHCG-OAQYLSRUSA-N 1 0 404.576 3.673 50 0 HHAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1cn(CCCc2ccccc2)nn1 ZINC000011813121 962197309 /nfs/dbraw/zinc/19/73/09/962197309.db2.gz NHLLJAFMIVHTPO-QHCPKHFHSA-N 1 0 417.557 3.520 50 0 HHAARO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@@H+]1CCCn1cccn1 ZINC000011820813 962199448 /nfs/dbraw/zinc/19/94/48/962199448.db2.gz KFGMFWZGEORNEF-OAQYLSRUSA-N 1 0 405.502 3.954 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc4ncccc34)CC2)O1)c1ccco1 ZINC000011912631 962206987 /nfs/dbraw/zinc/20/69/87/962206987.db2.gz QEPPGAFXEHJOCG-IBGZPJMESA-N 1 0 405.498 3.771 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC ZINC000011933412 962210746 /nfs/dbraw/zinc/21/07/46/962210746.db2.gz WTQYFIMKLDVEAT-VWLOTQADSA-N 1 0 423.557 3.546 50 0 HHAARO COc1ccc(-c2ncc(C[NH+]3CCC(CO)(C[C@@H]4CCCCO4)CC3)cn2)cc1 ZINC000011934979 962211025 /nfs/dbraw/zinc/21/10/25/962211025.db2.gz CYVVINVVXOFQSQ-QFIPXVFZSA-N 1 0 411.546 3.686 50 0 HHAARO Cc1cc(C)n2ncc(CN3CC[C@]4(C3)CCC[N@H+](CCc3ccccc3)C4)c2n1 ZINC000011957739 962215607 /nfs/dbraw/zinc/21/56/07/962215607.db2.gz BPRCQXOYJGIMSM-RUZDIDTESA-N 1 0 403.574 3.877 50 0 HHAARO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@@H](CNC(=O)C[NH+](C)C)C4)s1 ZINC000011963919 962215791 /nfs/dbraw/zinc/21/57/91/962215791.db2.gz WKSGMSTYHXWBLH-QGZVFWFLSA-N 1 0 408.523 3.752 50 0 HHAARO O=C(c1ccncc1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000011999436 962221115 /nfs/dbraw/zinc/22/11/15/962221115.db2.gz PSKFUFKYVUZKLM-XMMPIXPASA-N 1 0 423.557 3.768 50 0 HHAARO C[C@@H](CC[N@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1 ZINC000012004840 962221586 /nfs/dbraw/zinc/22/15/86/962221586.db2.gz RYHXGNWUROLSLQ-FQEVSTJZSA-N 1 0 423.605 3.569 50 0 HHAARO COc1ccc(/C=C/C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccco4)O3)CC2)cc1 ZINC000012023008 962223641 /nfs/dbraw/zinc/22/36/41/962223641.db2.gz DLVIKHXTOVHJAD-XAFBZQIESA-N 1 0 410.514 3.745 50 0 HHAARO CC(C)C[NH+]1CCC([C@@]2(Cc3ccccc3Cl)NC(=O)N(CC3CC3)C2=O)CC1 ZINC000012038392 962226301 /nfs/dbraw/zinc/22/63/01/962226301.db2.gz MKDCIAWZOTYRHI-HSZRJFAPSA-N 1 0 417.981 3.951 50 0 HHAARO c1ccc2[nH]c(CC[NH2+]Cc3cc4cc5c(cc4nc3N3CCCC3)OCO5)nc2c1 ZINC000012078530 962235836 /nfs/dbraw/zinc/23/58/36/962235836.db2.gz NZQYYWZFXVGSGO-UHFFFAOYSA-N 1 0 415.497 3.772 50 0 HHAARO CC(=O)N1CCC([N@@H+]2CC[C@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 ZINC000012111731 962242067 /nfs/dbraw/zinc/24/20/67/962242067.db2.gz LURXWXFOZBZPBZ-IBGZPJMESA-N 1 0 405.533 3.510 50 0 HHAARO CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3)c(C)n1 ZINC000012193963 962251135 /nfs/dbraw/zinc/25/11/35/962251135.db2.gz LJQTYFXQVVPKMW-DEOSSOPVSA-N 1 0 412.578 3.717 50 0 HHAARO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](CC(C)(C)C)CC4)c3C2=O)cc1 ZINC000012244950 962257514 /nfs/dbraw/zinc/25/75/14/962257514.db2.gz JGAVVNUJRGCUES-UHFFFAOYSA-N 1 0 421.541 3.660 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@H](C)n2cncn2)C2CCCC2)CC1 ZINC000012303749 962268639 /nfs/dbraw/zinc/26/86/39/962268639.db2.gz VETLOEHAXNQMEE-NRFANRHFSA-N 1 0 423.605 3.873 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCSCC1 ZINC000012429317 962277499 /nfs/dbraw/zinc/27/74/99/962277499.db2.gz GZKVWRZIVBATRU-UHFFFAOYSA-N 1 0 410.583 3.962 50 0 HHAARO COC(=O)c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)c1 ZINC000012433175 962278608 /nfs/dbraw/zinc/27/86/08/962278608.db2.gz OZIHAHGGIWIKPE-RUZDIDTESA-N 1 0 422.525 3.610 50 0 HHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)c(OC)c1 ZINC000012590719 962298223 /nfs/dbraw/zinc/29/82/23/962298223.db2.gz WCZBNIZUDQDREQ-SFHVURJKSA-N 1 0 412.530 3.718 50 0 HHAARO Cc1ccn(CC(=O)N2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)n1 ZINC000012596144 962299050 /nfs/dbraw/zinc/29/90/50/962299050.db2.gz NYFSLSZYUSUTSE-FQEVSTJZSA-N 1 0 400.954 3.606 50 0 HHAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)CCc1ccccn1)C2 ZINC000014535016 962525241 /nfs/dbraw/zinc/52/52/41/962525241.db2.gz RJPNDOYIAIJCBS-NRFANRHFSA-N 1 0 423.605 3.736 50 0 HHAARO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3ccccc3)C[N@H+](CC(C)C)C2)cn1 ZINC000014743915 962566363 /nfs/dbraw/zinc/56/63/63/962566363.db2.gz IKDWQEBZCVNEIC-XZOQPEGZSA-N 1 0 409.574 3.722 50 0 HHAARO Cc1ccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1F ZINC000014746143 962567739 /nfs/dbraw/zinc/56/77/39/962567739.db2.gz VUIPZFNOQVIUNB-FQEVSTJZSA-N 1 0 420.532 3.728 50 0 HHAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CC[NH+](Cc1cccnc1)CC2 ZINC000014882146 962597477 /nfs/dbraw/zinc/59/74/77/962597477.db2.gz LNOGCZWNUYEYNL-HSZRJFAPSA-N 1 0 419.569 3.548 50 0 HHAARO COc1cccc(Cn2c3cc(F)ccc3cc(C[NH2+]Cc3cccnc3)c2=O)c1 ZINC000014995901 962620884 /nfs/dbraw/zinc/62/08/84/962620884.db2.gz UQMGGBFYJNWUOS-UHFFFAOYSA-N 1 0 403.457 3.882 50 0 HHAARO CN1CCC([N@H+](C)Cc2cccc(OC[C@H]3CCCN(C(=O)C4CCC4)C3)c2)CC1 ZINC000014994835 962621657 /nfs/dbraw/zinc/62/16/57/962621657.db2.gz NLFFEDKZIDTECK-NRFANRHFSA-N 1 0 413.606 3.630 50 0 HHAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000015064327 962645650 /nfs/dbraw/zinc/64/56/50/962645650.db2.gz LRZLDWQQLNGPAR-QHCPKHFHSA-N 1 0 421.520 3.617 50 0 HHAARO C[N@H+](Cc1cccnc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 ZINC000015069518 962647471 /nfs/dbraw/zinc/64/74/71/962647471.db2.gz SDTNEPCCBGXYDO-VWLOTQADSA-N 1 0 421.585 3.790 50 0 HHAARO O=C(CCn1cccn1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015073097 962648129 /nfs/dbraw/zinc/64/81/29/962648129.db2.gz ONNHZAKHNMOQMM-QFIPXVFZSA-N 1 0 409.578 3.742 50 0 HHAARO c1ccc(COc2cccc(C[N@H+]3CCc4nnc([C@@H]5CCCO5)n4CC3)c2)cc1 ZINC000019300360 963360927 /nfs/dbraw/zinc/36/09/27/963360927.db2.gz ZMZILQYCEWKNGE-QFIPXVFZSA-N 1 0 404.514 3.767 50 0 HHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000019835712 963374700 /nfs/dbraw/zinc/37/47/00/963374700.db2.gz KOZATFDWLFWCKV-QGZVFWFLSA-N 1 0 420.513 3.688 50 0 HHAARO COc1ccccc1N1C[C@@H]2C[C@@H](c3cccn3-c3cccnc3)[N@@H+]3CCC[C@@]23C1=O ZINC000019812486 963375205 /nfs/dbraw/zinc/37/52/05/963375205.db2.gz OIOLYTDSNIQXKQ-PZGSVQSZSA-N 1 0 414.509 3.823 50 0 HHAARO OCC[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)s2)CCN1Cc1ccccc1 ZINC000019757639 963375461 /nfs/dbraw/zinc/37/54/61/963375461.db2.gz VATDPBUZVCKQBB-QFIPXVFZSA-N 1 0 413.631 3.803 50 0 HHAARO COc1cccc(CC[NH2+]Cc2cc3ccc(F)cc3n(Cc3ccncc3)c2=O)c1 ZINC000019865644 963376010 /nfs/dbraw/zinc/37/60/10/963376010.db2.gz OEKAKDXKPSRRGB-UHFFFAOYSA-N 1 0 417.484 3.925 50 0 HHAARO CC(C)OCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1ccccc1)C3 ZINC000020110064 963384171 /nfs/dbraw/zinc/38/41/71/963384171.db2.gz KUDKJKRGDLBESN-SFHVURJKSA-N 1 0 411.571 3.920 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+]([C@@H](C)Cc3ccc(C)cc3)CC2)c1 ZINC000020168203 963384912 /nfs/dbraw/zinc/38/49/12/963384912.db2.gz DFSQYLVOLGGJLQ-FQEVSTJZSA-N 1 0 410.558 3.846 50 0 HHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000020363347 963387190 /nfs/dbraw/zinc/38/71/90/963387190.db2.gz SSUQNOHRNJOASY-SFHVURJKSA-N 1 0 420.513 3.688 50 0 HHAARO CCCn1ncc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1C ZINC000023339007 963801151 /nfs/dbraw/zinc/80/11/51/963801151.db2.gz KNEUWWJXHVRGKI-JOCHJYFZSA-N 1 0 424.633 3.929 50 0 HHAARO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C3)c1 ZINC000039353429 966492334 /nfs/dbraw/zinc/49/23/34/966492334.db2.gz LWHZBPGVISUMPF-XXBNENTESA-N 1 0 424.516 3.908 50 0 HHAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)nc(C)n1 ZINC000067641593 968784607 /nfs/dbraw/zinc/78/46/07/968784607.db2.gz ILIUSHOZXCWNML-UHFFFAOYSA-N 1 0 407.562 3.785 50 0 HHAARO O=C(/C=C\c1sc2ccccc2c1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000096924979 969056197 /nfs/dbraw/zinc/05/61/97/969056197.db2.gz IGNRMWHYMAAMFG-FPLPWBNLSA-N 1 0 403.979 3.808 50 0 HHAARO O=C(/C=C\c1ccc(OCc2ccccc2)cc1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000096925053 969056230 /nfs/dbraw/zinc/05/62/30/969056230.db2.gz ZJYUVGVSSYTSBB-RAXLEYEMSA-N 1 0 419.569 3.519 50 0 HHAARO C[N@H+](Cc1ccccc1)[C@H]1CCOC2(CCN(C(=O)c3n[nH]c4ccccc43)CC2)C1 ZINC000169773930 970477148 /nfs/dbraw/zinc/47/71/48/970477148.db2.gz IERGUAOICWJHFR-FQEVSTJZSA-N 1 0 418.541 3.849 50 0 HHAARO C[N@H+](Cc1ccccc1)[C@@H]1CCOC2(CCN(C(=O)c3n[nH]c4ccccc43)CC2)C1 ZINC000169773929 970477214 /nfs/dbraw/zinc/47/72/14/970477214.db2.gz IERGUAOICWJHFR-HXUWFJFHSA-N 1 0 418.541 3.849 50 0 HHAARO O=C(NCC1CC1)c1cccc(OC2CN(C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000169773238 970477346 /nfs/dbraw/zinc/47/73/46/970477346.db2.gz PDJKQCKIHDOUQY-UHFFFAOYSA-N 1 0 419.569 3.554 50 0 HHAARO Cc1c(C[N@@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCCCC3)C2)cnn1C ZINC000169774380 970478139 /nfs/dbraw/zinc/47/81/39/970478139.db2.gz SHYTZDVPQMAVLJ-FQEVSTJZSA-N 1 0 410.562 3.646 50 0 HHAARO COc1cc(C[NH+]2CCC(C)(c3noc(C4CCOCC4)n3)CC2)cc(OC)c1 ZINC000253411628 970560427 /nfs/dbraw/zinc/56/04/27/970560427.db2.gz OVNFVXXJTYYOSH-UHFFFAOYSA-N 1 0 401.507 3.535 50 0 HHAARO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000002212695 132249606 /nfs/dbraw/zinc/24/96/06/132249606.db2.gz KMNBMLZFOISJHM-UHFFFAOYSA-N 1 0 400.530 3.567 50 0 HHAARO CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCCC4)CC1 ZINC000002357305 132253231 /nfs/dbraw/zinc/25/32/31/132253231.db2.gz XGEJXXXMFYVAAY-UHFFFAOYSA-N 1 0 408.571 3.858 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Cl)cc2)CC1 ZINC000004711659 132285122 /nfs/dbraw/zinc/28/51/22/132285122.db2.gz VOMNAYBCQYKAHU-UHFFFAOYSA-N 1 0 401.894 3.521 50 0 HHAARO c1ccc2c3nc(-c4cccnc4)nn3c(N3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000006805432 132317892 /nfs/dbraw/zinc/31/78/92/132317892.db2.gz WJWPVGRBOSWGPA-UHFFFAOYSA-N 1 0 413.529 3.794 50 0 HHAARO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007224759 132322996 /nfs/dbraw/zinc/32/29/96/132322996.db2.gz LYEIGIGFCCLQFD-HXUWFJFHSA-N 1 0 407.558 3.805 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@@H]3c3cccc(OC)c3)cc2)CC1 ZINC000010228049 132345460 /nfs/dbraw/zinc/34/54/60/132345460.db2.gz TZNCZDFGVJITRS-XMMPIXPASA-N 1 0 422.573 3.613 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c(C)c1 ZINC000011697982 132350001 /nfs/dbraw/zinc/35/00/01/132350001.db2.gz ULHHRLHDMMORHE-UHFFFAOYSA-N 1 0 403.490 3.586 50 0 HHAARO C[C@@H](Cc1cccs1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 ZINC000011912663 132352145 /nfs/dbraw/zinc/35/21/45/132352145.db2.gz GFCBASNTPLFYEB-KRWDZBQOSA-N 1 0 421.570 3.980 50 0 HHAARO COc1ccc(OC)c2nc(N3CCOCC3)c(C[NH2+]Cc3ccc(F)cc3)cc12 ZINC000012050573 132353190 /nfs/dbraw/zinc/35/31/90/132353190.db2.gz RZPUHLSLPNUVSO-UHFFFAOYSA-N 1 0 411.477 3.518 50 0 HHAARO Cc1cc(NC(=O)c2ccc(Br)cc2F)ccc1N1CC[NH+](C)CC1 ZINC000012522428 132361662 /nfs/dbraw/zinc/36/16/62/132361662.db2.gz OWSLDQIYQSCELW-UHFFFAOYSA-N 1 0 406.299 3.901 50 0 HHAARO Cc1noc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CC[NH+](C)CC3)cc2)n1 ZINC000012546209 132362970 /nfs/dbraw/zinc/36/29/70/132362970.db2.gz CMHLYAQAINKFHX-UHFFFAOYSA-N 1 0 411.893 3.703 50 0 HHAARO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023114564 132477483 /nfs/dbraw/zinc/47/74/83/132477483.db2.gz NFTBHWHEEJLRLO-ZKTHROLGSA-N 1 0 404.982 3.808 50 0 HHAARO CC(C)(C)c1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)C2CCCCCC2)cc1 ZINC000045966563 519012429 /nfs/dbraw/zinc/01/24/29/519012429.db2.gz VAOPNXPRQRZJGH-UHFFFAOYSA-N 1 0 413.606 3.971 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1ccccc1Cl ZINC000032533110 519714986 /nfs/dbraw/zinc/71/49/86/519714986.db2.gz QKEGFQFVVHLSAX-NQIIRXRSSA-N 1 0 421.919 3.876 50 0 HHAARO CC(C)c1ccc(N2C[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000040428082 519836737 /nfs/dbraw/zinc/83/67/37/519836737.db2.gz OQDDZKJLDUIAKO-QFIPXVFZSA-N 1 0 419.569 3.944 50 0 HHAARO CCCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000022804820 519878759 /nfs/dbraw/zinc/87/87/59/519878759.db2.gz CJMBBANRMBPFOO-UHFFFAOYSA-N 1 0 405.546 3.630 50 0 HHAARO CCOc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537393 520696097 /nfs/dbraw/zinc/69/60/97/520696097.db2.gz OCZVVGZDVOFFIZ-HXUWFJFHSA-N 1 0 413.537 3.717 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1cccc(F)c1 ZINC000032730314 522069424 /nfs/dbraw/zinc/06/94/24/522069424.db2.gz HMHVMKPFYVQSTE-GOSISDBHSA-N 1 0 419.294 3.783 50 0 HHAARO C[N@H+](CCCNc1cc(C(=O)N2CCOCC2)c2ccccc2n1)C1CCCCC1 ZINC000032829532 522773419 /nfs/dbraw/zinc/77/34/19/522773419.db2.gz SEIJXULDIZOLIR-UHFFFAOYSA-N 1 0 410.562 3.774 50 0 HHAARO Cc1cc(C[NH+]2CCC(CNS(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)o1 ZINC000043954278 524675340 /nfs/dbraw/zinc/67/53/40/524675340.db2.gz ANKHREUARDKFLA-UHFFFAOYSA-N 1 0 414.930 3.879 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)[NH+]1CCCC1 ZINC000032902432 524793769 /nfs/dbraw/zinc/79/37/69/524793769.db2.gz QJKPUTBLZSBBGT-KRWDZBQOSA-N 1 0 423.435 3.598 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)[NH+]2CCCCC2)cc1 ZINC000032841502 525358968 /nfs/dbraw/zinc/35/89/68/525358968.db2.gz LVIARDWQSZQTOX-QFIPXVFZSA-N 1 0 407.514 3.537 50 0 HHAARO COc1cccc(C[N@H+](C)CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1OC ZINC000032870767 525911521 /nfs/dbraw/zinc/91/15/21/525911521.db2.gz XJCXMVKQDLNXRE-UHFFFAOYSA-N 1 0 422.529 3.967 50 0 HHAARO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991269 525947028 /nfs/dbraw/zinc/94/70/28/525947028.db2.gz PLDCLOUWQDUWQB-AWEZNQCLSA-N 1 0 408.329 3.937 50 0 HHAARO Cc1cc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCN2CCOCC2)c(C)s1 ZINC000020210688 526058866 /nfs/dbraw/zinc/05/88/66/526058866.db2.gz UFYCJLBTIBTFQX-UHFFFAOYSA-N 1 0 414.550 3.779 50 0 HHAARO O=C(NC1CC1)C1CC[NH+](C2CCN(C/C(Cl)=C/c3ccccc3)CC2)CC1 ZINC000020539758 527485802 /nfs/dbraw/zinc/48/58/02/527485802.db2.gz GMNAULIVPVMPGN-SILNSSARSA-N 1 0 401.982 3.721 50 0 HHAARO COc1ccc2c(C)nc(N3CCC([NH2+][C@H](C)CCCC(C)(C)O)CC3)nc2c1 ZINC000012154732 536963536 /nfs/dbraw/zinc/96/35/36/536963536.db2.gz OELDTOUSOXGUST-MRXNPFEDSA-N 1 0 400.567 3.835 50 0 HHAARO COc1ccc2[nH+]c(C)cc(N3CCC(NS(=O)(=O)c4cccs4)CC3)c2c1 ZINC000009614199 537048457 /nfs/dbraw/zinc/04/84/57/537048457.db2.gz COPVMIUXCWMDPC-UHFFFAOYSA-N 1 0 417.556 3.561 50 0 HHAARO Cc1cc([C@H]2C[C@H](C(=O)N3CCOCC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716777 557430142 /nfs/dbraw/zinc/43/01/42/557430142.db2.gz GZYJQPIIMAMLAA-SFTDATJTSA-N 1 0 414.496 3.738 50 0 HHAARO CCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C1CC1 ZINC000034831239 557466693 /nfs/dbraw/zinc/46/66/93/557466693.db2.gz LNKBXUKBXNSQPH-UHFFFAOYSA-N 1 0 409.578 3.614 50 0 HHAARO CC[C@@H](CO)[NH2+]Cc1cc(OC)c(OCCc2ccccc2)cc1Br ZINC000005065281 557633574 /nfs/dbraw/zinc/63/35/74/557633574.db2.gz HCQNABIGGQPROO-KRWDZBQOSA-N 1 0 408.336 3.940 50 0 HHAARO Cc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 ZINC000005274571 557642879 /nfs/dbraw/zinc/64/28/79/557642879.db2.gz OOMNOFGNBXCQKS-SFHVURJKSA-N 1 0 415.415 3.959 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022680816 557767730 /nfs/dbraw/zinc/76/77/30/557767730.db2.gz MPFXOCYITZBPPZ-FXAWDEMLSA-N 1 0 417.575 3.685 50 0 HHAARO COc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(Br)cc2)C1 ZINC000002966235 557777806 /nfs/dbraw/zinc/77/78/06/557777806.db2.gz QILAFOWZJSZCAK-FQEVSTJZSA-N 1 0 402.312 3.718 50 0 HHAARO CC(C)[NH+]1CCN(Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000019741775 558262240 /nfs/dbraw/zinc/26/22/40/558262240.db2.gz NQJOXTLDVNDLDD-UHFFFAOYSA-N 1 0 418.541 3.853 50 0 HHAARO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](C4CSCCSC4)C3)CC2)c1 ZINC000019744873 558265501 /nfs/dbraw/zinc/26/55/01/558265501.db2.gz QUWFDOYOAFRWSE-IBGZPJMESA-N 1 0 412.068 3.775 50 0 HHAARO OCCOc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)cc1 ZINC000011698880 558270320 /nfs/dbraw/zinc/27/03/20/558270320.db2.gz HUPLKWNOORHJSY-AREMUKBSSA-N 1 0 408.586 3.978 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cc(OC)ccc3OC)oc2C)C1 ZINC000011713226 558271463 /nfs/dbraw/zinc/27/14/63/558271463.db2.gz OXHHSAFIKQUMSV-KRWDZBQOSA-N 1 0 415.534 3.748 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3cccc(SC)c3)CC2)c1 ZINC000011758928 558273183 /nfs/dbraw/zinc/27/31/83/558273183.db2.gz GQUIBJMBIMFMDA-UHFFFAOYSA-N 1 0 414.571 3.828 50 0 HHAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000019772655 558280246 /nfs/dbraw/zinc/28/02/46/558280246.db2.gz NCPYNQDHIIBZIX-VMIIQTFKSA-N 1 0 404.595 3.656 50 0 HHAARO CCCCCc1c(O)nc(SCC[NH+](CC)CC)n(C(=O)c2ccccc2)c1=O ZINC000019789089 558282017 /nfs/dbraw/zinc/28/20/17/558282017.db2.gz ZMAZFFOIWHFNDE-UHFFFAOYSA-N 1 0 417.575 3.804 50 0 HHAARO COc1cccc(NC(=O)CCC2CC[NH+](Cc3cnc(SC)nc3)CC2)c1 ZINC000011838884 558285675 /nfs/dbraw/zinc/28/56/75/558285675.db2.gz CVMSQNMUUULUHQ-UHFFFAOYSA-N 1 0 400.548 3.838 50 0 HHAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000011874514 558292295 /nfs/dbraw/zinc/29/22/95/558292295.db2.gz FYSREIDJKNPDEC-QGZVFWFLSA-N 1 0 424.467 3.555 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@@H]2CCO)c(C)c1C ZINC000019838175 558293296 /nfs/dbraw/zinc/29/32/96/558293296.db2.gz PESUMELBLDGGOS-QFIPXVFZSA-N 1 0 404.501 3.659 50 0 HHAARO CC[C@H]1C[N@H+](CCC(=O)N2CCC[C@@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000011910152 558296622 /nfs/dbraw/zinc/29/66/22/558296622.db2.gz JJNMIPRSAJXCLP-PKOBYXMFSA-N 1 0 415.559 3.879 50 0 HHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccncc2)CC1 ZINC000011937024 558300888 /nfs/dbraw/zinc/30/08/88/558300888.db2.gz KDOKDMPGVSKGLZ-UHFFFAOYSA-N 1 0 405.502 3.523 50 0 HHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](C3CCSCC3)C2)c(OC)c1 ZINC000011946740 558302382 /nfs/dbraw/zinc/30/23/82/558302382.db2.gz VSHFXOLMUFCRCX-QGZVFWFLSA-N 1 0 406.592 3.708 50 0 HHAARO O=C1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccccc1F ZINC000011964281 558304021 /nfs/dbraw/zinc/30/40/21/558304021.db2.gz UHGWSMDMEJZCIL-UHFFFAOYSA-N 1 0 406.461 3.643 50 0 HHAARO CC1=C(CC[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)C(C)(C)CCC1 ZINC000012054349 558315083 /nfs/dbraw/zinc/31/50/83/558315083.db2.gz JHNXZDPRHOVKEL-GOSISDBHSA-N 1 0 401.599 3.886 50 0 HHAARO COc1ccc(CC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012111860 558326345 /nfs/dbraw/zinc/32/63/45/558326345.db2.gz GOUNFHCRMUQGIR-DEOSSOPVSA-N 1 0 414.590 3.900 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(OC)c3)oc2C)C1 ZINC000012206896 558352958 /nfs/dbraw/zinc/35/29/58/558352958.db2.gz IJPWWTPFLGHENV-KRWDZBQOSA-N 1 0 403.498 3.878 50 0 HHAARO Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1Cl ZINC000020406648 558360156 /nfs/dbraw/zinc/36/01/56/558360156.db2.gz VNWNWNDELPKDCU-NRFANRHFSA-N 1 0 400.950 3.699 50 0 HHAARO Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1Cl ZINC000020406646 558360234 /nfs/dbraw/zinc/36/02/34/558360234.db2.gz VNWNWNDELPKDCU-OAQYLSRUSA-N 1 0 400.950 3.699 50 0 HHAARO C[NH+](C)[C@@H]1CCN(Cc2cccnc2)C[C@@H]1CCC(=O)NC1CCCCCCC1 ZINC000012244911 558361095 /nfs/dbraw/zinc/36/10/95/558361095.db2.gz BNWVLQGBZNVMDF-JTHBVZDNSA-N 1 0 400.611 3.843 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@@H]2CCO)cc1C ZINC000020450308 558365252 /nfs/dbraw/zinc/36/52/52/558365252.db2.gz YYJVJNXVGSRYGI-QHCPKHFHSA-N 1 0 405.542 3.621 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3c[nH]c4ccccc34)C[C@@H]2CCO)c(C)c1C ZINC000020453280 558367443 /nfs/dbraw/zinc/36/74/43/558367443.db2.gz CAHYPYMKZRFOOI-QFIPXVFZSA-N 1 0 407.558 3.862 50 0 HHAARO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000012296368 558367462 /nfs/dbraw/zinc/36/74/62/558367462.db2.gz HBIHILGQENLYSC-GHBBCFCZSA-N 1 0 407.599 3.698 50 0 HHAARO Cc1nccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)cc1 ZINC000012306576 558375301 /nfs/dbraw/zinc/37/53/01/558375301.db2.gz XDWZQSFXSXZQIB-OAQYLSRUSA-N 1 0 416.525 3.966 50 0 HHAARO CCn1nc(CC(C)C)cc1C(=O)N(C)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012314969 558378389 /nfs/dbraw/zinc/37/83/89/558378389.db2.gz VUTCKPSHDYQOAX-QFIPXVFZSA-N 1 0 408.590 3.805 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020517729 558383087 /nfs/dbraw/zinc/38/30/87/558383087.db2.gz PANHUMAEPJBRCQ-CQHJRZBDSA-N 1 0 409.917 3.942 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)ccc2C)C1=O ZINC000020533157 558384293 /nfs/dbraw/zinc/38/42/93/558384293.db2.gz KOJJHCFJIIRFQB-NDWLXSOOSA-N 1 0 403.526 3.905 50 0 HHAARO CCCn1cc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020534181 558385595 /nfs/dbraw/zinc/38/55/95/558385595.db2.gz LSIKTOCOSNVFBJ-QFIPXVFZSA-N 1 0 414.594 3.758 50 0 HHAARO CSCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012373614 558390751 /nfs/dbraw/zinc/39/07/51/558390751.db2.gz TYAAEYJQIKLLIL-QFIPXVFZSA-N 1 0 404.620 3.968 50 0 HHAARO COc1cccc(C(=O)N(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)c1OC ZINC000012429793 558404611 /nfs/dbraw/zinc/40/46/11/558404611.db2.gz UIONSVNTGJLMFN-UHFFFAOYSA-N 1 0 414.521 3.870 50 0 HHAARO CCn1ccnc1CN(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012433349 558407298 /nfs/dbraw/zinc/40/72/98/558407298.db2.gz PZPMXZPSMWXHAL-QFIPXVFZSA-N 1 0 414.569 3.935 50 0 HHAARO CN(C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)[C@H]1CC[N@H+](C)C1 ZINC000012434204 558408094 /nfs/dbraw/zinc/40/80/94/558408094.db2.gz PJYXNHSNWJTANF-AWEZNQCLSA-N 1 0 408.449 3.858 50 0 HHAARO Cn1cc(C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012437608 558409543 /nfs/dbraw/zinc/40/95/43/558409543.db2.gz WNXOAYMHTBLUKD-NRFANRHFSA-N 1 0 415.497 3.586 50 0 HHAARO CN(Cc1cc[nH]n1)C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012446723 558414297 /nfs/dbraw/zinc/41/42/97/558414297.db2.gz WILPTBITWMNCIF-UHFFFAOYSA-N 1 0 418.541 3.768 50 0 HHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000012466715 558420408 /nfs/dbraw/zinc/42/04/08/558420408.db2.gz XWCUHMRLOGGXER-UHFFFAOYSA-N 1 0 413.514 3.797 50 0 HHAARO CN(c1ccccc1)c1ccc(C[N@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000020906381 558421161 /nfs/dbraw/zinc/42/11/61/558421161.db2.gz UYVDKTJVAJMTOE-QFIPXVFZSA-N 1 0 403.530 3.956 50 0 HHAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000020998659 558427363 /nfs/dbraw/zinc/42/73/63/558427363.db2.gz XMJLNBZSCFHGRD-KRWDZBQOSA-N 1 0 418.969 3.699 50 0 HHAARO CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012576206 558430990 /nfs/dbraw/zinc/43/09/90/558430990.db2.gz IJQVMOVPBUIEEH-APTRMMRNSA-N 1 0 408.546 3.548 50 0 HHAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)c1 ZINC000012584262 558433690 /nfs/dbraw/zinc/43/36/90/558433690.db2.gz ABSYTHRBOWGRFO-QGZVFWFLSA-N 1 0 407.514 3.827 50 0 HHAARO COc1ccc2[nH]c(C[NH+]3CCC(n4nccc4NC(=O)C4CC4)CC3)c(C)c2c1 ZINC000012586443 558434044 /nfs/dbraw/zinc/43/40/44/558434044.db2.gz UJULEHRFPOZBSY-UHFFFAOYSA-N 1 0 407.518 3.867 50 0 HHAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012593407 558436647 /nfs/dbraw/zinc/43/66/47/558436647.db2.gz AOYUARWXDXOVQF-QGZVFWFLSA-N 1 0 403.906 3.815 50 0 HHAARO CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012703389 558448476 /nfs/dbraw/zinc/44/84/76/558448476.db2.gz VHVZVWDPTHDHJN-PTLVVNQVSA-N 1 0 408.546 3.548 50 0 HHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCc3cn[nH]c3)cc2Cl)CC1 ZINC000012704994 558449583 /nfs/dbraw/zinc/44/95/83/558449583.db2.gz FKBWWDBOUMUEGP-UHFFFAOYSA-N 1 0 418.969 3.925 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1 ZINC000021960959 558456670 /nfs/dbraw/zinc/45/66/70/558456670.db2.gz DEFGWTGOHJQWJI-UHFFFAOYSA-N 1 0 423.586 3.700 50 0 HHAARO COc1cc([C@H](C)O)ccc1COc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OC ZINC000012910080 558484463 /nfs/dbraw/zinc/48/44/63/558484463.db2.gz QOQJZCQGABFMGG-OXJNMPFZSA-N 1 0 401.503 3.605 50 0 HHAARO CCc1ccc([C@H](C)[NH2+]Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)cc1 ZINC000013039868 558506351 /nfs/dbraw/zinc/50/63/51/558506351.db2.gz AYTMVVOWBVRLHY-INIZCTEOSA-N 1 0 414.575 3.720 50 0 HHAARO CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)CC1 ZINC000022787453 558511233 /nfs/dbraw/zinc/51/12/33/558511233.db2.gz WWVZESQVRBSWNQ-QGZVFWFLSA-N 1 0 408.571 3.852 50 0 HHAARO CCOc1cc2c(cc1C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1)O[C@H](C)C2 ZINC000022804518 558513595 /nfs/dbraw/zinc/51/35/95/558513595.db2.gz DORQMBXFLIFGAS-XXBNENTESA-N 1 0 410.558 3.880 50 0 HHAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@@H+]1C1CCCCC1 ZINC000022913884 558520859 /nfs/dbraw/zinc/52/08/59/558520859.db2.gz USWOHPYHDMQLHR-OAQYLSRUSA-N 1 0 402.970 3.931 50 0 HHAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@@H+]1CCc1ccccc1 ZINC000023153413 558539418 /nfs/dbraw/zinc/53/94/18/558539418.db2.gz AAIULNQTTHSDBK-HSZRJFAPSA-N 1 0 424.976 3.841 50 0 HHAARO CSc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000023171141 558540161 /nfs/dbraw/zinc/54/01/61/558540161.db2.gz VLEGLQWODYOWGC-UHFFFAOYSA-N 1 0 423.626 3.965 50 0 HHAARO c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000023374982 558554551 /nfs/dbraw/zinc/55/45/51/558554551.db2.gz IFWUGSJUQPQBIB-DEOSSOPVSA-N 1 0 401.558 3.863 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1F)S2 ZINC000004466027 558593737 /nfs/dbraw/zinc/59/37/37/558593737.db2.gz AGSWJCGWRGCGSY-XSFVSMFZSA-N 1 0 413.518 3.983 50 0 HHAARO O=C(C[NH+]1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1cccc2ccccc21 ZINC000004477312 558598136 /nfs/dbraw/zinc/59/81/36/558598136.db2.gz GWRQTNYZUQLEDR-UHFFFAOYSA-N 1 0 418.526 3.830 50 0 HHAARO O=C(CCCc1nc(-c2ccccc2)no1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024652160 558606178 /nfs/dbraw/zinc/60/61/78/558606178.db2.gz ULAHSJWIKHGORW-UHFFFAOYSA-N 1 0 404.514 3.972 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 ZINC000014184595 558630026 /nfs/dbraw/zinc/63/00/26/558630026.db2.gz ACBHBWUUWJSKDE-LJQANCHMSA-N 1 0 420.479 3.736 50 0 HHAARO Cc1ccc(C)n1CC[NH+]1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 ZINC000025463275 558641728 /nfs/dbraw/zinc/64/17/28/558641728.db2.gz JDIIAXYRVIWNEW-UHFFFAOYSA-N 1 0 408.518 3.721 50 0 HHAARO O=C(CC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000026134709 558656364 /nfs/dbraw/zinc/65/63/64/558656364.db2.gz SCLMEMAFAJZUQU-QGZVFWFLSA-N 1 0 410.301 3.696 50 0 HHAARO C[C@H](CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000026173139 558656839 /nfs/dbraw/zinc/65/68/39/558656839.db2.gz WYTWCMWAKPFZQN-QZTJIDSGSA-N 1 0 420.557 3.842 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1cccc(F)c1F)CC2 ZINC000014746136 558669203 /nfs/dbraw/zinc/66/92/03/558669203.db2.gz JPWRWVQXNORBKG-SFHVURJKSA-N 1 0 424.495 3.559 50 0 HHAARO COc1ccc([C@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027667520 558680029 /nfs/dbraw/zinc/68/00/29/558680029.db2.gz ANKLGLQNOJMSSY-VGSWGCGISA-N 1 0 400.494 3.945 50 0 HHAARO C[N@@H+]1CCCN(C(=O)[C@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 ZINC000014953934 558681667 /nfs/dbraw/zinc/68/16/67/558681667.db2.gz BGKCSEGBOWRPAW-OYQOIYBLSA-N 1 0 401.982 3.533 50 0 HHAARO CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000014956565 558682726 /nfs/dbraw/zinc/68/27/26/558682726.db2.gz BSVSVQFTYQSGHE-QGZVFWFLSA-N 1 0 410.514 3.829 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C(C)C)nn2C)C1 ZINC000014962187 558684306 /nfs/dbraw/zinc/68/43/06/558684306.db2.gz DDQMEILYBVEZBR-IBGZPJMESA-N 1 0 412.578 3.579 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1 ZINC000014993510 558695299 /nfs/dbraw/zinc/69/52/99/558695299.db2.gz KOYGLJGVSMRCAA-SFHVURJKSA-N 1 0 400.906 3.782 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957089 558707927 /nfs/dbraw/zinc/70/79/27/558707927.db2.gz DHHPQPXOUPJBEJ-WMZOPIPTSA-N 1 0 403.935 3.562 50 0 HHAARO O=C(c1ccco1)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015066500 558709402 /nfs/dbraw/zinc/70/94/02/558709402.db2.gz ZMVVZYZJWLEGKD-HXUWFJFHSA-N 1 0 400.494 3.952 50 0 HHAARO COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1C ZINC000015068390 558710953 /nfs/dbraw/zinc/71/09/53/558710953.db2.gz BSVAAPFUYRNDLN-RTWAWAEBSA-N 1 0 422.525 3.745 50 0 HHAARO COC[C@@H]1CCN(C(=O)c2cc(C)ccc2OC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000015069051 558711421 /nfs/dbraw/zinc/71/14/21/558711421.db2.gz MDVIDXPFXZMFLX-OAQYLSRUSA-N 1 0 423.557 3.542 50 0 HHAARO COc1cc(C(=O)NCCCSC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015069569 558711923 /nfs/dbraw/zinc/71/19/23/558711923.db2.gz VRQWAFCVLDDPJF-UHFFFAOYSA-N 1 0 406.592 3.964 50 0 HHAARO O=C(NCc1cccc(F)c1)N1CC[C@]2(C1)Nc1cccnc1[NH+]=C2NC1CCCC1 ZINC000065266359 558745400 /nfs/dbraw/zinc/74/54/00/558745400.db2.gz QUPMZFRALGJECI-HSZRJFAPSA-N 1 0 422.508 3.563 50 0 HHAARO O=C(CCCOc1ccccc1Cl)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000072306655 558763774 /nfs/dbraw/zinc/76/37/74/558763774.db2.gz LNHDBJSOLUDBBC-UHFFFAOYSA-N 1 0 416.949 3.772 50 0 HHAARO COc1cc(C)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1C ZINC000004580656 558766769 /nfs/dbraw/zinc/76/67/69/558766769.db2.gz AKXAWFUPRQISDT-UHFFFAOYSA-N 1 0 418.603 3.587 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1F ZINC000033326832 558766852 /nfs/dbraw/zinc/76/68/52/558766852.db2.gz WBQCOHPHSBACEW-UHFFFAOYSA-N 1 0 412.513 3.577 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000016363665 558788442 /nfs/dbraw/zinc/78/84/42/558788442.db2.gz LSXVZPXFTARLRM-UHFFFAOYSA-N 1 0 424.357 3.978 50 0 HHAARO COc1cc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc(OC)c1O ZINC000016663261 558798354 /nfs/dbraw/zinc/79/83/54/558798354.db2.gz VDBXUZRKJFFLDE-UHFFFAOYSA-N 1 0 422.319 3.656 50 0 HHAARO CCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016751524 558804883 /nfs/dbraw/zinc/80/48/83/558804883.db2.gz QSMUAZOIDSNLBY-OAQYLSRUSA-N 1 0 424.472 3.828 50 0 HHAARO CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016752093 558805008 /nfs/dbraw/zinc/80/50/08/558805008.db2.gz KUXGJWWFMTUQKK-QFIPXVFZSA-N 1 0 420.509 3.997 50 0 HHAARO CCOCc1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)ccc1OC ZINC000039544156 558822164 /nfs/dbraw/zinc/82/21/64/558822164.db2.gz IUCOADGZYWEGDB-HSZRJFAPSA-N 1 0 404.595 3.681 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1)C(=O)OC(C)(C)C ZINC000060339749 558852565 /nfs/dbraw/zinc/85/25/65/558852565.db2.gz ZWEFNBBGPWIMAW-QGZVFWFLSA-N 1 0 406.523 3.763 50 0 HHAARO c1nn(-c2ccccn2)c2c1[C@@H](NC1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000019224771 558852599 /nfs/dbraw/zinc/85/25/99/558852599.db2.gz HHRMVQSDNGHAJF-QHCPKHFHSA-N 1 0 401.558 3.941 50 0 HHAARO CCc1nc(-c2ccc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+]3CCCCCC3)c2)no1 ZINC000033086492 558870964 /nfs/dbraw/zinc/87/09/64/558870964.db2.gz ABMKKYVILDKSQZ-QGZVFWFLSA-N 1 0 420.579 3.540 50 0 HHAARO COCCN(Cc1ccc(OC)c(O)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055134221 558873792 /nfs/dbraw/zinc/87/37/92/558873792.db2.gz UMRVEJRCPIIURT-OAQYLSRUSA-N 1 0 424.585 3.729 50 0 HHAARO COc1cc(CN2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1OC ZINC000019359861 558876116 /nfs/dbraw/zinc/87/61/16/558876116.db2.gz BPODBJNIXZVMBD-UHFFFAOYSA-N 1 0 400.563 3.655 50 0 HHAARO Cc1c(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055414784 558881031 /nfs/dbraw/zinc/88/10/31/558881031.db2.gz MXBMINVHGARNFP-AREMUKBSSA-N 1 0 419.569 3.692 50 0 HHAARO C[NH+](C)CCn1cc(C(=O)Nc2cccc(CN3CCCC3=O)c2)c2ccccc21 ZINC000058159876 558904831 /nfs/dbraw/zinc/90/48/31/558904831.db2.gz WZMOUUMRXOWCJF-UHFFFAOYSA-N 1 0 404.514 3.578 50 0 HHAARO CC(C)[C@@H](CNC(=O)Nc1cccc(-c2nncn2C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000058161637 558905625 /nfs/dbraw/zinc/90/56/25/558905625.db2.gz VMGKZYVNGNUYLS-JOCHJYFZSA-N 1 0 418.545 3.687 50 0 HHAARO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN1CC[N@@H+](C)[C@H](CCO)C1 ZINC000071638822 558906202 /nfs/dbraw/zinc/90/62/02/558906202.db2.gz AZIKMJIKWWAHES-HXUWFJFHSA-N 1 0 407.514 3.941 50 0 HHAARO CCC[N@@H+]1Cc2ccc(NC(=O)Cn3cnc4c5ccccc5oc4c3=O)cc2C1 ZINC000058174843 558908995 /nfs/dbraw/zinc/90/89/95/558908995.db2.gz QQPACVIBYDPIMP-UHFFFAOYSA-N 1 0 402.454 3.507 50 0 HHAARO C[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058394150 558923883 /nfs/dbraw/zinc/92/38/83/558923883.db2.gz UHDKYBIAJUMJEH-KRWDZBQOSA-N 1 0 400.954 3.727 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058393594 558924020 /nfs/dbraw/zinc/92/40/20/558924020.db2.gz ONZGYLXZPQCLNJ-SFHVURJKSA-N 1 0 404.986 3.826 50 0 HHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000058964674 558931114 /nfs/dbraw/zinc/93/11/14/558931114.db2.gz PQKWEPSWBMLCKN-GOSISDBHSA-N 1 0 414.571 3.642 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1 ZINC000059264542 558933122 /nfs/dbraw/zinc/93/31/22/558933122.db2.gz AXQRNROXNKMRNK-NRFANRHFSA-N 1 0 411.546 3.855 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2F)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000019606734 558946536 /nfs/dbraw/zinc/94/65/36/558946536.db2.gz JTUAGOCWIOINHR-NRFANRHFSA-N 1 0 405.539 3.736 50 0 HHAARO COc1cccc2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](CCCO)C4)nc12 ZINC000067446801 558986554 /nfs/dbraw/zinc/98/65/54/558986554.db2.gz GNTFIIPHPAWTPF-UHFFFAOYSA-N 1 0 408.498 3.804 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c(C)c1 ZINC000067620859 558989554 /nfs/dbraw/zinc/98/95/54/558989554.db2.gz UNRVSTUVJZMADN-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO C[N@H+](CCCN1CC2(CCN(C(=O)[C@H]3CC34CCC4)CC2)OC1=O)C1CCCCC1 ZINC000077470431 559006445 /nfs/dbraw/zinc/00/64/45/559006445.db2.gz ACDMSQKUKIVAQJ-HXUWFJFHSA-N 1 0 417.594 3.645 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)n(CC1CC1)c(=O)n2C1CCCCC1 ZINC000077554124 559009047 /nfs/dbraw/zinc/00/90/47/559009047.db2.gz XLFGSCTVZMGKCR-UHFFFAOYSA-N 1 0 410.562 3.544 50 0 HHAARO CCCOc1ccc(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000096999313 559016885 /nfs/dbraw/zinc/01/68/85/559016885.db2.gz DQEUICKBUIOOMP-UHFFFAOYSA-N 1 0 408.974 3.620 50 0 HHAARO CCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 ZINC000082092558 559037108 /nfs/dbraw/zinc/03/71/08/559037108.db2.gz INLHNHFIXWLYCQ-QFIPXVFZSA-N 1 0 412.622 3.939 50 0 HHAARO O=C1CN(C2CC[NH+](Cc3cccc4ccccc43)CC2)C(=O)N1CC(F)(F)F ZINC000585148455 559059809 /nfs/dbraw/zinc/05/98/09/559059809.db2.gz DESFXVPLKCTFGO-UHFFFAOYSA-N 1 0 405.420 3.631 50 0 HHAARO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000097466835 559118930 /nfs/dbraw/zinc/11/89/30/559118930.db2.gz XBRSNWHJKFZNMO-OAHLLOKOSA-N 1 0 415.223 3.930 50 0 HHAARO CC1(C)CCC[N@@H+]1Cc1cn(C2CCN(C(=O)Nc3ccccc3F)CC2)nn1 ZINC000023619580 559178262 /nfs/dbraw/zinc/17/82/62/559178262.db2.gz BPTGMFAFVUPPGJ-UHFFFAOYSA-N 1 0 400.502 3.661 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738185 559179565 /nfs/dbraw/zinc/17/95/65/559179565.db2.gz RLPOISLZBJSKRE-RXVVDRJESA-N 1 0 411.933 3.646 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000004860741 559193131 /nfs/dbraw/zinc/19/31/31/559193131.db2.gz GWSSOODOEXHBJQ-NEPJUHHUSA-N 1 0 422.323 3.776 50 0 HHAARO Cc1ccc(N(C[C@H](O)C[NH+]2CCCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005023634 559229759 /nfs/dbraw/zinc/22/97/59/559229759.db2.gz YQNSWKKNCPHEFU-HSZRJFAPSA-N 1 0 424.566 3.800 50 0 HHAARO CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 ZINC000005093300 559244109 /nfs/dbraw/zinc/24/41/09/559244109.db2.gz ACTBIHRECOLKOM-HXUWFJFHSA-N 1 0 405.498 3.813 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005122073 559248643 /nfs/dbraw/zinc/24/86/43/559248643.db2.gz NHEBFOGBCMSHHE-UHFFFAOYSA-N 1 0 401.488 3.649 50 0 HHAARO CCOc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000011838324 559261365 /nfs/dbraw/zinc/26/13/65/559261365.db2.gz JLXSEKZFCPNYQI-GOSISDBHSA-N 1 0 400.494 3.875 50 0 HHAARO CCOc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)ccc1OC ZINC000011838323 559261369 /nfs/dbraw/zinc/26/13/69/559261369.db2.gz JLXSEKZFCPNYQI-SFHVURJKSA-N 1 0 400.494 3.875 50 0 HHAARO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc(OC)c1OC ZINC000006364678 560560027 /nfs/dbraw/zinc/56/00/27/560560027.db2.gz MHFLBRDHUQVIMT-IBGZPJMESA-N 1 0 417.531 3.969 50 0 HHAARO C[NH+](C)CCCn1cnc2c(c1=N)[C@@H](c1ccc(Cl)cc1)c1ccc(O)cc1O2 ZINC000005347394 560570622 /nfs/dbraw/zinc/57/06/22/560570622.db2.gz PJLNEAQLCGINNJ-IBGZPJMESA-N 1 0 410.905 3.959 50 0 HHAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)c1ccc(O)cc1O2 ZINC000005348942 560571128 /nfs/dbraw/zinc/57/11/28/560571128.db2.gz CTYHIVDCFOAHAV-NRFANRHFSA-N 1 0 420.513 3.704 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000005452080 560589363 /nfs/dbraw/zinc/58/93/63/560589363.db2.gz LXGWRKRXKJDGPC-IQOKHDRSSA-N 1 0 407.514 3.814 50 0 HHAARO Clc1cc(C[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc2c1OCCCO2 ZINC000017318317 560708817 /nfs/dbraw/zinc/70/88/17/560708817.db2.gz JRUJCFAXWVZHME-UHFFFAOYSA-N 1 0 402.922 3.623 50 0 HHAARO CC(C)C[NH2+]Cc1cc(Br)ccc1OCC(=O)NCc1ccccc1 ZINC000004821056 560736560 /nfs/dbraw/zinc/73/65/60/560736560.db2.gz MEEQKVYEGZXUGP-UHFFFAOYSA-N 1 0 405.336 3.890 50 0 HHAARO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COC(C)C)C1 ZINC000104982773 560858964 /nfs/dbraw/zinc/85/89/64/560858964.db2.gz XNJBVESUFGJTCK-FGZHOGPDSA-N 1 0 414.521 3.915 50 0 HHAARO COc1ccc([C@@H]2CCc3nc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cn3C2)cc1 ZINC000105065131 560861324 /nfs/dbraw/zinc/86/13/24/560861324.db2.gz ZDMZLNXQHOJNDR-AZUAARDMSA-N 1 0 410.562 3.616 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1F ZINC000048287587 568434638 /nfs/dbraw/zinc/43/46/38/568434638.db2.gz PLPBJSAGRYZIEN-FQEVSTJZSA-N 1 0 406.523 3.586 50 0 HHAARO CC(C)n1ncc2cc(C[NH2+]Cc3ccccc3CN3CCOCC3)c(Cl)nc21 ZINC000048275571 568435537 /nfs/dbraw/zinc/43/55/37/568435537.db2.gz BEPNESOJWTXSNG-UHFFFAOYSA-N 1 0 413.953 3.788 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000048314956 568438108 /nfs/dbraw/zinc/43/81/08/568438108.db2.gz MNJUJPGVGRFGKA-KRWDZBQOSA-N 1 0 404.894 3.590 50 0 HHAARO CC(=O)N[C@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000048325188 568438543 /nfs/dbraw/zinc/43/85/43/568438543.db2.gz FUIFTEFFDDYBPW-YADHBBJMSA-N 1 0 413.949 3.861 50 0 HHAARO O=C(Cn1ccc2cc(Br)ccc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296382 568462673 /nfs/dbraw/zinc/46/26/73/568462673.db2.gz SQCUUNGZPMCNPU-FUHWJXTLSA-N 1 0 404.352 3.785 50 0 biogenic HHAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000014947853 568463605 /nfs/dbraw/zinc/46/36/05/568463605.db2.gz OSQXMHWGPXSOJN-INIZCTEOSA-N 1 0 406.954 3.892 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000007015234 568468631 /nfs/dbraw/zinc/46/86/31/568468631.db2.gz ZEQJDDZUHBOUKY-QNHAZURESA-N 1 0 400.563 3.652 50 0 HHAARO NC(=O)CC[NH+]1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041509 568473284 /nfs/dbraw/zinc/47/32/84/568473284.db2.gz OGAAPGIBCNGJKO-SFHVURJKSA-N 1 0 401.963 3.581 50 0 HHAARO FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000025261830 568517020 /nfs/dbraw/zinc/51/70/20/568517020.db2.gz UZQQOPIFYSBTOK-CYBMUJFWSA-N 1 0 400.219 3.980 50 0 HHAARO CCn1c(=O)cc(SCC(=O)N2CC[NH+](C3CCCCC3)CC2)c2ccccc21 ZINC000020285098 568596909 /nfs/dbraw/zinc/59/69/09/568596909.db2.gz ZOILQSINXFCIAF-UHFFFAOYSA-N 1 0 413.587 3.590 50 0 HHAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000095399570 568604785 /nfs/dbraw/zinc/60/47/85/568604785.db2.gz LQDHRARTHKTZLT-YJBOKZPZSA-N 1 0 407.967 3.700 50 0 HHAARO O=C(CCn1ccc2cc(Cl)ccc21)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000095442789 568611101 /nfs/dbraw/zinc/61/11/01/568611101.db2.gz NXOCJQGFYBJICQ-UHFFFAOYSA-N 1 0 410.949 3.903 50 0 HHAARO COc1ccc([C@H](O)[C@H](C)[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442651 568611141 /nfs/dbraw/zinc/61/11/41/568611141.db2.gz XCOIHEIQXXMCMO-RNODOKPDSA-N 1 0 404.304 3.945 50 0 HHAARO NC(=O)[C@@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)Cc1ccc(F)cc1 ZINC000095452875 568615454 /nfs/dbraw/zinc/61/54/54/568615454.db2.gz AHKBWYOFYGBRAV-OAHLLOKOSA-N 1 0 409.288 3.842 50 0 HHAARO C[NH+]1CCN([C@@H]2CCCCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)C2)CC1 ZINC000095455677 568616979 /nfs/dbraw/zinc/61/69/79/568616979.db2.gz JHMZUEPWXQNQLN-JOCHJYFZSA-N 1 0 419.635 3.525 50 0 HHAARO CN(CCC1CC[NH+](CCCn2c3ccccc3oc2=O)CC1)C(=O)OC(C)(C)C ZINC000095455728 568617006 /nfs/dbraw/zinc/61/70/06/568617006.db2.gz GXVAOKXQBFWOHB-UHFFFAOYSA-N 1 0 417.550 3.954 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(C)cc3)c(C)c2)CC1 ZINC000040103847 568617095 /nfs/dbraw/zinc/61/70/95/568617095.db2.gz QRODLVUNJRXONJ-UHFFFAOYSA-N 1 0 410.562 3.988 50 0 HHAARO COc1ccc(-c2n[nH]c(C)c2CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000095477859 568631225 /nfs/dbraw/zinc/63/12/25/568631225.db2.gz OQKDUXMYUNOTJW-UHFFFAOYSA-N 1 0 418.541 3.717 50 0 HHAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000225396302 568634025 /nfs/dbraw/zinc/63/40/25/568634025.db2.gz OVGZOBWFBNCWGD-GOTSBHOMSA-N 1 0 403.526 3.797 50 0 HHAARO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762945 568642807 /nfs/dbraw/zinc/64/28/07/568642807.db2.gz AHIUEMBECMBWDH-PXNSSMCTSA-N 1 0 411.550 3.685 50 0 biogenic HHAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc(OC)c1 ZINC000020851324 568645041 /nfs/dbraw/zinc/64/50/41/568645041.db2.gz QBRFSXWKTQSQRK-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020867168 568646895 /nfs/dbraw/zinc/64/68/95/568646895.db2.gz PKOMNJGTSZXKKI-OAHLLOKOSA-N 1 0 418.584 3.697 50 0 HHAARO Cc1cc(Br)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000225541981 568649197 /nfs/dbraw/zinc/64/91/97/568649197.db2.gz ZZYGDDYMQQMVOL-UHFFFAOYSA-N 1 0 423.804 3.998 50 0 HHAARO CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C2CC[NH2+]CC2)cc1 ZINC000021018178 568657850 /nfs/dbraw/zinc/65/78/50/568657850.db2.gz BSURGOYCWRDRQZ-UHFFFAOYSA-N 1 0 417.513 3.858 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN1c1nccs1 ZINC000095957320 568669508 /nfs/dbraw/zinc/66/95/08/568669508.db2.gz XHVYODZHDHAYGA-SFHVURJKSA-N 1 0 404.967 3.546 50 0 HHAARO CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC[NH+](C)C)CC1=O ZINC000021172159 568676464 /nfs/dbraw/zinc/67/64/64/568676464.db2.gz IHNMCROFQWOJAO-SFHVURJKSA-N 1 0 406.530 3.907 50 0 HHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Nc3cc(F)ccc3F)CC2)c1 ZINC000021174704 568676837 /nfs/dbraw/zinc/67/68/37/568676837.db2.gz WOBOCOPPJNKJKG-UHFFFAOYSA-N 1 0 402.489 3.915 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCc2nc(C)n[nH]2)cc1 ZINC000096003710 568682068 /nfs/dbraw/zinc/68/20/68/568682068.db2.gz PQURZCYTAMLPDO-UHFFFAOYSA-N 1 0 402.502 3.697 50 0 HHAARO COc1cc(C=O)ccc1OCCC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000096012360 568684690 /nfs/dbraw/zinc/68/46/90/568684690.db2.gz RNSCZKIJYGINCQ-OAQYLSRUSA-N 1 0 410.514 3.538 50 0 HHAARO COc1cccc(/C=C\C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1OC(F)F ZINC000096129261 568701538 /nfs/dbraw/zinc/70/15/38/568701538.db2.gz ZAQHSPDUHQYMHE-KHPPLWFESA-N 1 0 416.468 3.697 50 0 HHAARO C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420322 568720492 /nfs/dbraw/zinc/72/04/92/568720492.db2.gz MHLQXVOWVVZPPS-WCQYABFASA-N 1 0 407.146 3.826 50 0 HHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cc(C(C)C)nn2C)cc1 ZINC000012431588 568722196 /nfs/dbraw/zinc/72/21/96/568722196.db2.gz RREPLWMXOHAYAD-UHFFFAOYSA-N 1 0 412.578 3.579 50 0 HHAARO COc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCSCC4)c32)c(OC)c1 ZINC000096363705 568739545 /nfs/dbraw/zinc/73/95/45/568739545.db2.gz JUEWEXGXCSELQD-UHFFFAOYSA-N 1 0 411.527 3.986 50 0 HHAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(-c4ccc(OC)c(OC)c4)nn3cnc21 ZINC000021801869 568754168 /nfs/dbraw/zinc/75/41/68/568754168.db2.gz CBVFUORODKCVAT-UHFFFAOYSA-N 1 0 422.533 3.722 50 0 HHAARO COc1ccc(Nc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021928708 568761530 /nfs/dbraw/zinc/76/15/30/568761530.db2.gz CBLLWVMHXRXNID-UHFFFAOYSA-N 1 0 421.549 3.570 50 0 HHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055748712 568782926 /nfs/dbraw/zinc/78/29/26/568782926.db2.gz QBVKBHYCCRSXQX-BBWFWOEESA-N 1 0 402.970 3.989 50 0 HHAARO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2)c1 ZINC000057338463 568827109 /nfs/dbraw/zinc/82/71/09/568827109.db2.gz YHDKIIHFFYZXAB-CYBMUJFWSA-N 1 0 405.292 3.833 50 0 HHAARO COc1ccc(OCC[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000057386115 568831182 /nfs/dbraw/zinc/83/11/82/568831182.db2.gz ZBEVDDPRHKFZGP-UHFFFAOYSA-N 1 0 424.570 3.780 50 0 HHAARO C[C@H](NCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000057435056 568836722 /nfs/dbraw/zinc/83/67/22/568836722.db2.gz ZDMVQSSFTYQNHF-FQEVSTJZSA-N 1 0 418.541 3.891 50 0 HHAARO CC[C@H](C)c1ccc([C@H]([NH2+]CC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455977 568837811 /nfs/dbraw/zinc/83/78/11/568837811.db2.gz WCBDYUKMTXXBEI-WMZHIEFXSA-N 1 0 409.578 3.626 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1nc(SC)ncc1Cl ZINC000012520373 568841158 /nfs/dbraw/zinc/84/11/58/568841158.db2.gz ZHAWWBTZBLUMBM-UHFFFAOYSA-N 1 0 418.954 3.796 50 0 HHAARO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000003048413 568849613 /nfs/dbraw/zinc/84/96/13/568849613.db2.gz LNEDVKXDMWELJG-HYBUGGRVSA-N 1 0 419.569 3.930 50 0 HHAARO CC[C@@H]1C[N@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000230151610 568852835 /nfs/dbraw/zinc/85/28/35/568852835.db2.gz DGVXAVIHODYYOB-DLBZAZTESA-N 1 0 417.579 3.683 50 0 HHAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000230208107 568854920 /nfs/dbraw/zinc/85/49/20/568854920.db2.gz LNQHBBQGMXBOHP-QAPCUYQASA-N 1 0 402.926 3.733 50 0 biogenic HHAARO O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000504065642 568864833 /nfs/dbraw/zinc/86/48/33/568864833.db2.gz WPEUNQPOHNFYQG-SJLPKXTDSA-N 1 0 402.926 3.703 50 0 HHAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+][C@H](C)Cc3cccs3)CC2)c1 ZINC000299782196 568875086 /nfs/dbraw/zinc/87/50/86/568875086.db2.gz FUDPKVAXFFAPGQ-MRXNPFEDSA-N 1 0 407.605 3.699 50 0 HHAARO COC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000012709798 568917620 /nfs/dbraw/zinc/91/76/20/568917620.db2.gz NBUSYOCFCCUMJP-RUZDIDTESA-N 1 0 422.525 3.610 50 0 HHAARO Fc1ccccc1N1CCN(c2ncc3c(n2)CC[N@@H+](CCc2ccccc2)C3)CC1 ZINC000015779701 568920674 /nfs/dbraw/zinc/92/06/74/568920674.db2.gz AGMIBEOSLJEWGU-UHFFFAOYSA-N 1 0 417.532 3.543 50 0 HHAARO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012742411 568929359 /nfs/dbraw/zinc/92/93/59/568929359.db2.gz OGNBPGBOIBGZKR-GOSISDBHSA-N 1 0 411.452 3.943 50 0 HHAARO CC1(C)CC(NC(=O)c2cnn3c2nc(C2CC2)cc3C(F)(F)F)CC(C)(C)[NH2+]1 ZINC000002779285 568932126 /nfs/dbraw/zinc/93/21/26/568932126.db2.gz GRCZOWBFOFASOX-UHFFFAOYSA-N 1 0 409.456 3.665 50 0 HHAARO Cn1cc(CCC(=O)OC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000084318335 568945998 /nfs/dbraw/zinc/94/59/98/568945998.db2.gz VBXGEFKAIZDEBB-FXAWDEMLSA-N 1 0 409.452 3.998 50 0 HHAARO Cc1noc(C)c1COc1ccc(C(=O)NCc2cccc(OCC[NH+](C)C)c2)cc1 ZINC000059350421 568951723 /nfs/dbraw/zinc/95/17/23/568951723.db2.gz HIBJBNAKOPDCMS-UHFFFAOYSA-N 1 0 423.513 3.741 50 0 HHAARO CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004275264 568962190 /nfs/dbraw/zinc/96/21/90/568962190.db2.gz MQHXAEVWXVRNPT-UHFFFAOYSA-N 1 0 401.532 3.657 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676919 568964959 /nfs/dbraw/zinc/96/49/59/568964959.db2.gz FEJSQVBVXKVZHN-IBGZPJMESA-N 1 0 419.573 3.695 50 0 HHAARO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1 ZINC000008003939 568967894 /nfs/dbraw/zinc/96/78/94/568967894.db2.gz LQVNRWMYVZXQFK-FQEVSTJZSA-N 1 0 401.873 3.985 50 0 HHAARO COc1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)c(OC)c1 ZINC000015726986 568978327 /nfs/dbraw/zinc/97/83/27/568978327.db2.gz ZJGHVNLCRVAFMR-UHFFFAOYSA-N 1 0 424.476 3.748 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+]2CCCCC2)cc1 ZINC000008189627 568981026 /nfs/dbraw/zinc/98/10/26/568981026.db2.gz AFTPVPWFJTZJNB-QHCPKHFHSA-N 1 0 421.541 3.779 50 0 HHAARO Cc1nn(-c2ccc(C)cc2C)nc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008339669 568993229 /nfs/dbraw/zinc/99/32/29/568993229.db2.gz NJZWWRANJWTBDK-UHFFFAOYSA-N 1 0 403.530 3.718 50 0 HHAARO COc1ccc(-c2nc(CC(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cs2)cc1 ZINC000008346289 568994918 /nfs/dbraw/zinc/99/49/18/568994918.db2.gz QRKFVYBFEZRXDP-IBGZPJMESA-N 1 0 411.527 3.908 50 0 HHAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006085879 568998167 /nfs/dbraw/zinc/99/81/67/568998167.db2.gz BLJODOXMHBKDDF-JOCHJYFZSA-N 1 0 407.510 3.943 50 0 HHAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015773727 568998846 /nfs/dbraw/zinc/99/88/46/568998846.db2.gz CTJFRZGLMFWVQR-HSZRJFAPSA-N 1 0 423.532 3.522 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)cc1C ZINC000104302946 569008255 /nfs/dbraw/zinc/00/82/55/569008255.db2.gz LRRUWWLUROCTBF-OAQYLSRUSA-N 1 0 400.588 3.794 50 0 HHAARO CSc1ncc(Cl)c(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000012867829 569012252 /nfs/dbraw/zinc/01/22/52/569012252.db2.gz DELGJZWQFFOHFB-UHFFFAOYSA-N 1 0 411.358 3.900 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1nc(SC)ncc1Cl)c1cccc(OC)c1 ZINC000012893153 569020237 /nfs/dbraw/zinc/02/02/37/569020237.db2.gz QWNYFBLGXGICOC-INIZCTEOSA-N 1 0 408.955 3.673 50 0 HHAARO C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012909554 569021409 /nfs/dbraw/zinc/02/14/09/569021409.db2.gz XQQKWNODAONREE-CQSZACIVSA-N 1 0 403.408 3.918 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053348671 569027364 /nfs/dbraw/zinc/02/73/64/569027364.db2.gz YPWCBPGNLZPDOZ-UHFFFAOYSA-N 1 0 400.885 3.835 50 0 HHAARO COc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)c1 ZINC000035372939 569033820 /nfs/dbraw/zinc/03/38/20/569033820.db2.gz DZSYDRUJGNAHRL-UHFFFAOYSA-N 1 0 422.554 3.690 50 0 HHAARO Cn1c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc2c1c1ccccc1oc2=O ZINC000035396881 569034732 /nfs/dbraw/zinc/03/47/32/569034732.db2.gz ZVTSWLQLKUIGIE-UHFFFAOYSA-N 1 0 415.493 3.679 50 0 HHAARO Cc1ccccc1C[NH+]1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2 ZINC000035430843 569036820 /nfs/dbraw/zinc/03/68/20/569036820.db2.gz UMSPYZXREGHJKQ-UHFFFAOYSA-N 1 0 412.331 3.669 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC[C@@H](C)[NH+]4CCCC4)cc32)c1 ZINC000035560026 569044900 /nfs/dbraw/zinc/04/49/00/569044900.db2.gz HPYBBAQDDARQGT-GOSISDBHSA-N 1 0 406.530 3.697 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc32)c1 ZINC000035559998 569044930 /nfs/dbraw/zinc/04/49/30/569044930.db2.gz YCWGXHFTXCUJNV-IBGZPJMESA-N 1 0 420.557 3.945 50 0 HHAARO C[N@@H+]1CCCN(c2ccc(NC(=O)N[C@H]3CCc4cc(F)ccc43)cc2F)CC1 ZINC000239352693 569054281 /nfs/dbraw/zinc/05/42/81/569054281.db2.gz ADBORCLBYCLPMF-FQEVSTJZSA-N 1 0 400.473 3.916 50 0 HHAARO Cc1cccc(OCc2nc(CN(CC[NH+](C)C)C(=O)NC(C)(C)C)cs2)c1 ZINC000035741820 569057253 /nfs/dbraw/zinc/05/72/53/569057253.db2.gz QRDARPPLRKSTPN-UHFFFAOYSA-N 1 0 404.580 3.902 50 0 HHAARO CS[C@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@@H]1[NH+](C)C ZINC000089314156 569058470 /nfs/dbraw/zinc/05/84/70/569058470.db2.gz IKLPCNRHVPHPLB-RDJZCZTQSA-N 1 0 411.600 3.724 50 0 HHAARO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199269 569059050 /nfs/dbraw/zinc/05/90/50/569059050.db2.gz XXEFNKUKVVUJPS-CSGUBPAMSA-N 1 0 403.530 3.507 50 0 HHAARO CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000006598772 569069167 /nfs/dbraw/zinc/06/91/67/569069167.db2.gz ALCGUZLBKILMTQ-BWAGFHJFSA-N 1 0 411.546 3.747 50 0 HHAARO Cc1nnc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)[nH]1 ZINC000426518328 569073313 /nfs/dbraw/zinc/07/33/13/569073313.db2.gz NGAFXTWLHXTFEP-DEOSSOPVSA-N 1 0 409.578 3.684 50 0 HHAARO Cc1cc(OCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2c(C)cc(=O)oc2c1 ZINC000006659831 569084058 /nfs/dbraw/zinc/08/40/58/569084058.db2.gz DRFPTAZYYDAWFF-UHFFFAOYSA-N 1 0 420.509 3.569 50 0 HHAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)s1 ZINC000036101340 569091521 /nfs/dbraw/zinc/09/15/21/569091521.db2.gz DCKLCSBRHSJBCP-SFHVURJKSA-N 1 0 415.511 3.958 50 0 HHAARO COc1cc2[nH+]cc(C(=O)c3ccc(C)c(C)c3)c(N3CCOCC3)c2cc1OC ZINC000036102761 569092202 /nfs/dbraw/zinc/09/22/02/569092202.db2.gz KUMLHHUOTGILBF-UHFFFAOYSA-N 1 0 406.482 3.936 50 0 HHAARO CCC[NH+](CCC)C[C@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000006720712 569098829 /nfs/dbraw/zinc/09/88/29/569098829.db2.gz CATUHJQQCWKHPA-NRFANRHFSA-N 1 0 404.576 3.673 50 0 HHAARO CC[C@H](C)[N@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724929 569100710 /nfs/dbraw/zinc/10/07/10/569100710.db2.gz OHHRDNBXMRTJGU-KRWDZBQOSA-N 1 0 410.518 3.944 50 0 HHAARO CC[C@H](O)C[N@H+](CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000036154840 569100924 /nfs/dbraw/zinc/10/09/24/569100924.db2.gz KQWBKTUEBNCVFG-INIZCTEOSA-N 1 0 420.307 3.908 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+][C@H](C)c3ccccc3)cc21 ZINC000006732828 569104000 /nfs/dbraw/zinc/10/40/00/569104000.db2.gz UOVFGADLIZZKCT-VQIMIIECSA-N 1 0 410.514 3.754 50 0 HHAARO CCn1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc2c1c1ccccc1oc2=O ZINC000064839120 569105152 /nfs/dbraw/zinc/10/51/52/569105152.db2.gz ANYUDUBHPNMQDN-UHFFFAOYSA-N 1 0 407.514 3.858 50 0 HHAARO COc1ccc(C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 ZINC000169681642 569127676 /nfs/dbraw/zinc/12/76/76/569127676.db2.gz PAWORNMZZRBLRK-KNQAVFIVSA-N 1 0 405.922 3.770 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2cccc(F)c2)CC1 ZINC000036344766 569142846 /nfs/dbraw/zinc/14/28/46/569142846.db2.gz KBVXIVJDLIDABM-DEOSSOPVSA-N 1 0 422.548 3.758 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2C)CC1 ZINC000036344971 569143041 /nfs/dbraw/zinc/14/30/41/569143041.db2.gz TZAOOWOHRYAEDP-VWLOTQADSA-N 1 0 418.585 3.927 50 0 HHAARO CC1CC[NH+](CCCNC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)CC1 ZINC000064989349 569145867 /nfs/dbraw/zinc/14/58/67/569145867.db2.gz ISTUAZALAHYTFV-UHFFFAOYSA-N 1 0 407.562 3.596 50 0 HHAARO CCCC[N@H+](CC)CCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000006840659 569150959 /nfs/dbraw/zinc/15/09/59/569150959.db2.gz SRJZJXPSOYAKBT-UHFFFAOYSA-N 1 0 418.607 3.735 50 0 aggregator HHAARO CC(=O)NCCc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000036390797 569166069 /nfs/dbraw/zinc/16/60/69/569166069.db2.gz DLDHPFSZNGYPSW-LJQANCHMSA-N 1 0 407.558 3.670 50 0 HHAARO CC[C@H](C)[C@@H]1Nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919976 569181756 /nfs/dbraw/zinc/18/17/56/569181756.db2.gz BJAZSKMNNHULRK-KKSFZXQISA-N 1 0 400.567 3.850 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1 ZINC000065171689 569190323 /nfs/dbraw/zinc/19/03/23/569190323.db2.gz FCOHRAVIGRMENF-NRFANRHFSA-N 1 0 407.562 3.738 50 0 HHAARO Cc1cc(C)cc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000036548506 569198211 /nfs/dbraw/zinc/19/82/11/569198211.db2.gz ZHLKNLWCDJKAOX-ZSHKSDETSA-N 1 0 419.569 3.879 50 0 HHAARO COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCC[NH+]1CCCCCC1 ZINC000007005645 569198687 /nfs/dbraw/zinc/19/86/87/569198687.db2.gz OCPQLSPAOFEMEL-UHFFFAOYSA-N 1 0 421.563 3.511 50 0 HHAARO COc1ccc2[nH]c(=O)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000065245500 569205214 /nfs/dbraw/zinc/20/52/14/569205214.db2.gz HWVBEKRPVNUCJR-UHFFFAOYSA-N 1 0 419.525 3.662 50 0 HHAARO c1ccc(C[NH+]2CCN(c3nnc(-c4nnc(C5CC5)o4)c4ccccc43)CC2)cc1 ZINC000065258214 569210091 /nfs/dbraw/zinc/21/00/91/569210091.db2.gz NWFSQSFUKIJSEQ-UHFFFAOYSA-N 1 0 412.497 3.879 50 0 HHAARO COc1cccc(-c2noc3nc(C)cc(C(=O)NC4C[C@H]5CC[C@@H](C4)[N@H+]5C)c32)c1 ZINC000036619496 569210707 /nfs/dbraw/zinc/21/07/07/569210707.db2.gz JYAYIEHRMFQCAX-ALOPSCKCSA-N 1 0 406.486 3.562 50 0 HHAARO CC(C)(CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[NH+]1CCCCC1 ZINC000007064251 569217188 /nfs/dbraw/zinc/21/71/88/569217188.db2.gz XNSMLYASPKYLIL-GOSISDBHSA-N 1 0 405.970 3.573 50 0 HHAARO O=C(Cc1c2[nH]cccc-2c(=O)n1-c1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065307545 569219723 /nfs/dbraw/zinc/21/97/23/569219723.db2.gz HZANBXOVZBZEFZ-JOCHJYFZSA-N 1 0 418.541 3.650 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000065475593 569231451 /nfs/dbraw/zinc/23/14/51/569231451.db2.gz SBEDJNVUUOTMEL-UHFFFAOYSA-N 1 0 418.896 3.574 50 0 HHAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(C(C)=O)cc4)cc3s2)CC1 ZINC000007512729 569243872 /nfs/dbraw/zinc/24/38/72/569243872.db2.gz BEKHJAARADRFLF-UHFFFAOYSA-N 1 0 409.511 3.860 50 0 HHAARO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCCO3)c12 ZINC000170613557 569246884 /nfs/dbraw/zinc/24/68/84/569246884.db2.gz MXVFHURRBLVQAD-IBGZPJMESA-N 1 0 422.529 3.676 50 0 HHAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000089644430 569261631 /nfs/dbraw/zinc/26/16/31/569261631.db2.gz HSAYRDNXTYGIOL-MRXNPFEDSA-N 1 0 402.560 3.985 50 0 HHAARO CC(C)(C)OC(=O)Nc1cccc(CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000089694227 569262558 /nfs/dbraw/zinc/26/25/58/569262558.db2.gz LUZRVGXPXUTUET-QFIPXVFZSA-N 1 0 411.546 3.885 50 0 HHAARO COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(C[NH+]2CCCCC2)cc1=O ZINC000016974381 569269615 /nfs/dbraw/zinc/26/96/15/569269615.db2.gz JFECKSQVBPPKSY-UHFFFAOYSA-N 1 0 423.435 3.500 50 0 HHAARO COc1cc([C@@H]2[NH2+]CC3(CCCC3)c3cc4c(cc32)OCCO4)cc(OC)c1OC ZINC000002106063 569277797 /nfs/dbraw/zinc/27/77/97/569277797.db2.gz MNSJXCLIYPYURP-QFIPXVFZSA-N 1 0 411.498 3.988 50 0 biogenic HHAARO CCOc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc(Br)c1OC ZINC000007777657 569308715 /nfs/dbraw/zinc/30/87/15/569308715.db2.gz WDYRDDPTXQQQOA-UHFFFAOYSA-N 1 0 413.356 3.851 50 0 HHAARO COc1ccc(-n2c(NCC[NH+](C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 ZINC000002216092 569310889 /nfs/dbraw/zinc/31/08/89/569310889.db2.gz MGRKMZUXHDFOOZ-UHFFFAOYSA-N 1 0 412.559 3.698 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3C[C@@H](C)C[C@H](C)C3)c21 ZINC000002260085 569325039 /nfs/dbraw/zinc/32/50/39/569325039.db2.gz QULKUUWSBDULNO-GJZGRUSLSA-N 1 0 415.534 3.588 50 0 HHAARO CS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000013023493 569407501 /nfs/dbraw/zinc/40/75/01/569407501.db2.gz GZBLVYCFQJFLRQ-UHFFFAOYSA-N 1 0 420.962 3.659 50 0 HHAARO CC[C@H](C(=O)Nc1cccc(OC)c1)[NH+]1CCC(C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013353460 569411241 /nfs/dbraw/zinc/41/12/41/569411241.db2.gz SOYKFOSHRMINEH-KGVIQGDOSA-N 1 0 415.578 3.629 50 0 HHAARO CN(C(=O)Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000078720209 569420041 /nfs/dbraw/zinc/42/00/41/569420041.db2.gz GADAVTBNTUKNAD-UHFFFAOYSA-N 1 0 405.464 3.808 50 0 HHAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1 ZINC000078726164 569420051 /nfs/dbraw/zinc/42/00/51/569420051.db2.gz XXGZYUBTYBRIAQ-FQEVSTJZSA-N 1 0 406.530 3.558 50 0 HHAARO C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CCC2(C1)CCCCCC2 ZINC000079024429 569424555 /nfs/dbraw/zinc/42/45/55/569424555.db2.gz DPJXRJIYNUNUNA-AWEZNQCLSA-N 1 0 411.468 3.593 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000079046107 569425217 /nfs/dbraw/zinc/42/52/17/569425217.db2.gz SIXCHSTYCOPRDB-GCJKJVERSA-N 1 0 421.545 3.591 50 0 HHAARO Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000079049255 569425475 /nfs/dbraw/zinc/42/54/75/569425475.db2.gz YAKPYUJQCYPTJC-FGZHOGPDSA-N 1 0 401.510 3.783 50 0 HHAARO CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 ZINC000079073950 569426932 /nfs/dbraw/zinc/42/69/32/569426932.db2.gz OPRCDQJHOLVEHX-OAQYLSRUSA-N 1 0 411.546 3.567 50 0 HHAARO COCCn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc2cc(Cl)ccc21 ZINC000079192047 569429270 /nfs/dbraw/zinc/42/92/70/569429270.db2.gz IRHKNBAMMUEENP-QFBILLFUSA-N 1 0 403.954 3.935 50 0 biogenic HHAARO O=C(Cn1ccc2c1cccc2Br)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079192654 569429284 /nfs/dbraw/zinc/42/92/84/569429284.db2.gz UEZOFHYCHNURLZ-MAUKXSAKSA-N 1 0 404.352 3.785 50 0 biogenic HHAARO CCC[N@@H+]1CCc2nc(SCC(=O)Nc3ccc(C)cc3Cl)[nH]c(=O)c2C1 ZINC000067291769 571068296 /nfs/dbraw/zinc/06/82/96/571068296.db2.gz ABHXHRGNDWKGCQ-UHFFFAOYSA-N 1 0 406.939 3.643 50 0 HHAARO CCCC[N@H+](C)CCNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000008603951 571091146 /nfs/dbraw/zinc/09/11/46/571091146.db2.gz YUOLPNJJRZZPNX-UHFFFAOYSA-N 1 0 422.573 3.985 50 0 HHAARO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040103430 571163906 /nfs/dbraw/zinc/16/39/06/571163906.db2.gz XJLLNKMIHPANSR-IBGZPJMESA-N 1 0 414.937 3.573 50 0 HHAARO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000040121269 571177216 /nfs/dbraw/zinc/17/72/16/571177216.db2.gz GVFJKWVZCYIVRE-GJZGRUSLSA-N 1 0 402.564 3.829 50 0 HHAARO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000245261294 571221364 /nfs/dbraw/zinc/22/13/64/571221364.db2.gz FMYKLAAJFBPSHC-RTBURBONSA-N 1 0 424.589 3.647 50 0 HHAARO Cc1cnn(CC[NH+](CCOc2ccccc2F)CCOc2ccccc2F)c1 ZINC000070015916 571254349 /nfs/dbraw/zinc/25/43/49/571254349.db2.gz YZZUCOHKLASIOQ-UHFFFAOYSA-N 1 0 401.457 3.930 50 0 HHAARO COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009728457 571282810 /nfs/dbraw/zinc/28/28/10/571282810.db2.gz CUFFQLHPJHDWLI-UHFFFAOYSA-N 1 0 416.525 3.578 50 0 HHAARO COc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010333902 571300601 /nfs/dbraw/zinc/30/06/01/571300601.db2.gz UCKWIEGWKYFQSJ-QHCPKHFHSA-N 1 0 417.509 3.740 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010335651 571300753 /nfs/dbraw/zinc/30/07/53/571300753.db2.gz BJQHZNPRKKTSQL-HSZRJFAPSA-N 1 0 410.539 3.964 50 0 HHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000010456474 571303225 /nfs/dbraw/zinc/30/32/25/571303225.db2.gz CGIWGZMZWCFZRW-UHFFFAOYSA-N 1 0 422.497 3.599 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cc1ccc(OC)c(OC)c1 ZINC000014651477 571307523 /nfs/dbraw/zinc/30/75/23/571307523.db2.gz QQCPSZHBYOGHPF-UHFFFAOYSA-N 1 0 410.518 3.577 50 0 HHAARO Cc1c(Cl)cccc1NC(=O)C(=O)NCC[NH+]1CCC(c2cccs2)CC1 ZINC000077104295 571311701 /nfs/dbraw/zinc/31/17/01/571311701.db2.gz ZOROIICTFUWKQK-UHFFFAOYSA-N 1 0 405.951 3.644 50 0 HHAARO COc1ccccc1[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033690009 571316272 /nfs/dbraw/zinc/31/62/72/571316272.db2.gz YOBAKVZRCNETJJ-LADGPHEKSA-N 1 0 421.504 3.621 50 0 HHAARO COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N3CC[NH+](C)CC3)n2)cc1OC ZINC000005617929 960751107 /nfs/dbraw/zinc/75/11/07/960751107.db2.gz RLJKKRJZWXHXBG-UHFFFAOYSA-N 1 0 404.514 3.888 50 0 HHAARO CC(=O)c1cccc(OCc2cc(C(=O)N3CCC([NH+]4CCCCC4)CC3)no2)c1 ZINC000011661514 962157081 /nfs/dbraw/zinc/15/70/81/962157081.db2.gz YNFDWAFAEHOCTE-UHFFFAOYSA-N 1 0 411.502 3.547 50 0 HHAARO COc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c1OC ZINC000011815586 962197452 /nfs/dbraw/zinc/19/74/52/962197452.db2.gz HXTSTXIRLUJHFJ-GOSISDBHSA-N 1 0 414.521 3.870 50 0 HHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000011815075 962197918 /nfs/dbraw/zinc/19/79/18/962197918.db2.gz LCYLOAIKBXGRIV-UHFFFAOYSA-N 1 0 413.514 3.797 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCCN(C=O)CC2)cc1F ZINC000011816939 962198037 /nfs/dbraw/zinc/19/80/37/962198037.db2.gz UPUUMFIAQYCYFK-UHFFFAOYSA-N 1 0 422.504 3.660 50 0 HHAARO CC(C)(CO)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000011818841 962198133 /nfs/dbraw/zinc/19/81/33/962198133.db2.gz CULLEFBPLKGCDO-SFHVURJKSA-N 1 0 406.530 3.899 50 0 HHAARO O=C(c1n[nH]c2c1CCCC2)N(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011935086 962209739 /nfs/dbraw/zinc/20/97/39/962209739.db2.gz MWNWQNFSNKKBOH-HXUWFJFHSA-N 1 0 414.594 3.564 50 0 HHAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000012072556 962233398 /nfs/dbraw/zinc/23/33/98/962233398.db2.gz JMUUVSQBKAAQEE-OAQYLSRUSA-N 1 0 413.606 3.774 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1cn(CCc2ccccc2)nn1 ZINC000012223822 962255798 /nfs/dbraw/zinc/25/57/98/962255798.db2.gz KEXOYPKQFSUMIZ-DEOSSOPVSA-N 1 0 417.557 3.868 50 0 HHAARO CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2)C(C)C ZINC000012244613 962257034 /nfs/dbraw/zinc/25/70/34/962257034.db2.gz KOZVLWJFDAFVRL-HSZRJFAPSA-N 1 0 411.594 3.758 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c(OC)c1 ZINC000012430572 962279749 /nfs/dbraw/zinc/27/97/49/962279749.db2.gz JOHJFVUCKAYXSO-MRXNPFEDSA-N 1 0 406.486 3.584 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000012447105 962281473 /nfs/dbraw/zinc/28/14/73/962281473.db2.gz ZRISKDZBQBHVQL-GOSISDBHSA-N 1 0 406.530 3.598 50 0 HHAARO Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000012571020 962293802 /nfs/dbraw/zinc/29/38/02/962293802.db2.gz KMQIXSGUZLOZHE-GOSISDBHSA-N 1 0 406.505 3.868 50 0 HHAARO O=C(CCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012577915 962296896 /nfs/dbraw/zinc/29/68/96/962296896.db2.gz HVQDQGOLDTVFMF-OAQYLSRUSA-N 1 0 420.532 3.972 50 0 HHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cccn2-c2ncccn2)c1 ZINC000012596891 962298961 /nfs/dbraw/zinc/29/89/61/962298961.db2.gz XYBJPKOHONQJQX-HXUWFJFHSA-N 1 0 406.440 3.898 50 0 HHAARO CN(CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1)C(=O)CCn1cccn1 ZINC000012597016 962299266 /nfs/dbraw/zinc/29/92/66/962299266.db2.gz ZODPQOCSWZWKSG-UHFFFAOYSA-N 1 0 422.495 3.705 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000012710787 962315394 /nfs/dbraw/zinc/31/53/94/962315394.db2.gz VYIOPDGVDRTGAK-RUZDIDTESA-N 1 0 408.590 3.527 50 0 HHAARO O=C(C1CC[NH+](C2CCN(Cc3cccc4cccnc43)CC2)CC1)N1CCCC1 ZINC000012760221 962326302 /nfs/dbraw/zinc/32/63/02/962326302.db2.gz UDLUHOPCWKILAS-UHFFFAOYSA-N 1 0 406.574 3.534 50 0 HHAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014533304 962524870 /nfs/dbraw/zinc/52/48/70/962524870.db2.gz PHESYHZICABMFX-UHFFFAOYSA-N 1 0 420.538 3.725 50 0 HHAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC000014744887 962566459 /nfs/dbraw/zinc/56/64/59/962566459.db2.gz OJRBNWDORJBTIP-GOSISDBHSA-N 1 0 404.624 3.652 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC000014748616 962567939 /nfs/dbraw/zinc/56/79/39/962567939.db2.gz DLBISMVUCVWOLJ-CQSZACIVSA-N 1 0 406.983 3.891 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1)C2 ZINC000014745958 962568103 /nfs/dbraw/zinc/56/81/03/962568103.db2.gz KQIZGMXAZNGNLY-LJQANCHMSA-N 1 0 416.516 3.700 50 0 HHAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3cn(C)c4ccccc34)CC2)C1=O ZINC000014754251 962569598 /nfs/dbraw/zinc/56/95/98/962569598.db2.gz HSIRXFPLNZMDNY-UHFFFAOYSA-N 1 0 410.562 3.843 50 0 HHAARO Cc1ccsc1C[NH+]1CCC([C@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 ZINC000014888280 962598575 /nfs/dbraw/zinc/59/85/75/962598575.db2.gz WUQKOJUJTIPNCN-DEOSSOPVSA-N 1 0 423.582 3.746 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)CCn2cncn2)C2CCCC2)CC1 ZINC000014960998 962614894 /nfs/dbraw/zinc/61/48/94/962614894.db2.gz KHFLHGMMRAASKJ-UHFFFAOYSA-N 1 0 423.605 3.703 50 0 HHAARO C[N@H+](Cc1cccnc1)[C@H](Cc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 ZINC000015069520 962647504 /nfs/dbraw/zinc/64/75/04/962647504.db2.gz SDTNEPCCBGXYDO-RUZDIDTESA-N 1 0 421.585 3.790 50 0 HHAARO Cc1cnc(C[NH2+][C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c43)C2)cn1 ZINC000015071094 962647713 /nfs/dbraw/zinc/64/77/13/962647713.db2.gz QRJHFUKJIFEOHL-QGZVFWFLSA-N 1 0 423.586 3.784 50 0 HHAARO Cc1nonc1CN(C)C(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000015071963 962647982 /nfs/dbraw/zinc/64/79/82/962647982.db2.gz GROHIALHCKWRFK-UHFFFAOYSA-N 1 0 400.523 3.540 50 0 HHAARO Cn1cnnc1Sc1ccc(CN2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)o1 ZINC000020997757 963410649 /nfs/dbraw/zinc/41/06/49/963410649.db2.gz FXAFTAUZIMJIPL-IBGZPJMESA-N 1 0 409.559 3.582 50 0 HHAARO COc1ccccc1C[C@@H](C)[NH2+]Cc1cc(NC(C)=O)cc(C(=O)N2CCCC2)c1 ZINC000023337688 963801005 /nfs/dbraw/zinc/80/10/05/963801005.db2.gz HFWMCWHNTOWQNG-QGZVFWFLSA-N 1 0 409.530 3.610 50 0 HHAARO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C3)s1 ZINC000039354998 966491782 /nfs/dbraw/zinc/49/17/82/966491782.db2.gz YDVFMXIQRPAVIG-SJLPKXTDSA-N 1 0 416.518 3.661 50 0 HHAARO CCOC(=O)CC1(S(=O)(=O)c2ccc(F)cc2)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000039544240 966499559 /nfs/dbraw/zinc/49/95/59/966499559.db2.gz GXURHFUZUZWSSM-GOSISDBHSA-N 1 0 423.550 3.744 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(OC)c(OC)c3)c(C)c2)CC1 ZINC000097985512 969182063 /nfs/dbraw/zinc/18/20/63/969182063.db2.gz JXROLEBSDJHWFE-XFFZJAGNSA-N 1 0 409.530 3.806 50 0 HHAARO Cc1oc2c(c1C(=O)NCCC1CC[NH+](C)CC1)CN(Cc1cccc(F)c1)CC2 ZINC000105048901 969219320 /nfs/dbraw/zinc/21/93/20/969219320.db2.gz IZOJJKAPDILWRR-UHFFFAOYSA-N 1 0 413.537 3.747 50 0 HHAARO CCn1nccc1C(=O)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776628 970478563 /nfs/dbraw/zinc/47/85/63/970478563.db2.gz SHEOSRANCYTKFH-QFIPXVFZSA-N 1 0 422.573 3.721 50 0 HHAARO Cc1cnc(C(=O)N2CCC3(CC2)C[C@H]([N@H+](Cc2ccccc2)C2CC2)CCO3)cn1 ZINC000169780838 970480552 /nfs/dbraw/zinc/48/05/52/970480552.db2.gz FUGDEVSZZANYQN-JOCHJYFZSA-N 1 0 420.557 3.603 50 0 HHAARO COCCO[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3F)CC2)C12CCCCC2 ZINC000257181691 970620124 /nfs/dbraw/zinc/62/01/24/970620124.db2.gz NSJNAQJLYBJCIW-NRFANRHFSA-N 1 0 419.541 3.872 50 0 HHAARO CC(C)NC(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23 ZINC000257186304 970621159 /nfs/dbraw/zinc/62/11/59/970621159.db2.gz KHSYTZVLJNJSCJ-NXYDZRKXSA-N 1 0 411.590 3.697 50 0 HHAARO Cc1cc(S(=O)(=O)N2CC(F)(F)C[C@H]2CN2CCc3ccccc3C2)ccc1F ZINC000257189115 970622632 /nfs/dbraw/zinc/62/26/32/970622632.db2.gz HQJHXCPTJUWFLH-SFHVURJKSA-N 1 0 424.488 3.591 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000004122567 132271903 /nfs/dbraw/zinc/27/19/03/132271903.db2.gz NOMZCWDJFKUGMK-UHFFFAOYSA-N 1 0 423.369 3.872 50 0 HHAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000004917855 132294182 /nfs/dbraw/zinc/29/41/82/132294182.db2.gz GDYYOZDPDCUPME-IAGOWNOFSA-N 1 0 412.530 3.839 50 0 HHAARO O=C(CCC(=O)N1CCSc2ccccc21)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006857480 132319235 /nfs/dbraw/zinc/31/92/35/132319235.db2.gz PGEGLFBWYXJXDZ-UHFFFAOYSA-N 1 0 423.582 3.686 50 0 HHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000006857503 132319240 /nfs/dbraw/zinc/31/92/40/132319240.db2.gz VEXQAPPQCYVQTI-ROUUACIJSA-N 1 0 403.592 3.675 50 0 HHAARO CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)c(C)c2)c1C ZINC000011323957 132347984 /nfs/dbraw/zinc/34/79/84/132347984.db2.gz BZJGHAUOHONYBO-UHFFFAOYSA-N 1 0 412.534 3.511 50 0 HHAARO O=C(c1ccco1)N1CCOc2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2C1 ZINC000011912339 132352255 /nfs/dbraw/zinc/35/22/55/132352255.db2.gz ZMWPQJNMEXANMO-UHFFFAOYSA-N 1 0 417.509 3.637 50 0 HHAARO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)N1CCN(c2ccccc2)CC1 ZINC000012534080 132362092 /nfs/dbraw/zinc/36/20/92/132362092.db2.gz HEIGLKCAOCLBOE-IBGZPJMESA-N 1 0 420.582 3.825 50 0 HHAARO FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccco4)CC3)C2)nc1 ZINC000012597162 132364867 /nfs/dbraw/zinc/36/48/67/132364867.db2.gz QKAUJUXFINJHOI-SFHVURJKSA-N 1 0 408.468 3.916 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@H](CSc2nc3ccccc3c(=O)n2Cc2ccccc2)C1 ZINC000023817432 519730305 /nfs/dbraw/zinc/73/03/05/519730305.db2.gz HAMQRFXQEGSFDN-FQEVSTJZSA-N 1 0 423.582 3.894 50 0 HHAARO CC[NH+](CC)[C@@H]1CCN(Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000020538489 520846340 /nfs/dbraw/zinc/84/63/40/520846340.db2.gz KKXAUNXFZXYUKP-GOSISDBHSA-N 1 0 417.623 3.718 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1)c1ccccc1 ZINC000032902455 520861956 /nfs/dbraw/zinc/86/19/56/520861956.db2.gz SPCVVRGCNSONEW-HXUWFJFHSA-N 1 0 423.586 3.742 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)NCc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000032772056 521699255 /nfs/dbraw/zinc/69/92/55/521699255.db2.gz JHPJEHDADUFMQO-SFHVURJKSA-N 1 0 414.981 3.907 50 0 HHAARO CC[C@@H](CNC(=O)c1cc(Br)c(Br)s1)[NH+]1CCCC1 ZINC000032653221 522541019 /nfs/dbraw/zinc/54/10/19/522541019.db2.gz ZSUNECPXHVMMAS-VIFPVBQESA-N 1 0 410.175 3.877 50 0 HHAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)c2ccccc2)CC1)Cc1ccccc1 ZINC000032974109 522757979 /nfs/dbraw/zinc/75/79/79/522757979.db2.gz WTJDZGNEGPFSTQ-UHFFFAOYSA-N 1 0 407.558 3.567 50 0 HHAARO C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000040355523 523775951 /nfs/dbraw/zinc/77/59/51/523775951.db2.gz XWROTWIXJZKZGY-UHFFFAOYSA-N 1 0 413.330 3.526 50 0 HHAARO C[NH+]1CCC2(CC1)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1O2 ZINC000031583790 523786493 /nfs/dbraw/zinc/78/64/93/523786493.db2.gz UQKBMOGNEOPORE-SFHVURJKSA-N 1 0 406.935 3.607 50 0 HHAARO COc1ccc(CCNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000032754958 523964480 /nfs/dbraw/zinc/96/44/80/523964480.db2.gz NQASDOHJALQZOZ-FDDCHVKYSA-N 1 0 411.546 3.771 50 0 HHAARO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000032951960 524085401 /nfs/dbraw/zinc/08/54/01/524085401.db2.gz GJBOLYSBUUMRNF-HNNXBMFYSA-N 1 0 415.397 3.582 50 0 HHAARO Cc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3C)C[C@H]2CCO)cc1 ZINC000036385840 524457771 /nfs/dbraw/zinc/45/77/71/524457771.db2.gz NVXKYLORNKHLOC-RUZDIDTESA-N 1 0 404.558 3.558 50 0 HHAARO Cc1cc2c(nc3n(CCC[NH+](C)C)nc(SCc4ccccc4)n3c2=O)s1 ZINC000040266343 525624581 /nfs/dbraw/zinc/62/45/81/525624581.db2.gz ZGYJEXHZWDLSMO-UHFFFAOYSA-N 1 0 413.572 3.658 50 0 HHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)NCC[NH+]2CCCC2)cc1 ZINC000032974937 525839845 /nfs/dbraw/zinc/83/98/45/525839845.db2.gz QJJSZCPPRFUQDH-UHFFFAOYSA-N 1 0 402.542 3.992 50 0 HHAARO Cc1sc2ncn(CC(=O)Nc3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)c(=O)c2c1C ZINC000032933020 526897326 /nfs/dbraw/zinc/89/73/26/526897326.db2.gz YNNJEESTDBWRHW-OAHLLOKOSA-N 1 0 424.570 3.945 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCOc1ccccc1F ZINC000032879200 527544045 /nfs/dbraw/zinc/54/40/45/527544045.db2.gz NNRLTTRMVOYYPO-UHFFFAOYSA-N 1 0 410.493 3.968 50 0 HHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(C(=O)c2ccsc2)CC1 ZINC000032772362 527570910 /nfs/dbraw/zinc/57/09/10/527570910.db2.gz UYPVGKBEIDRJGR-UHFFFAOYSA-N 1 0 417.619 3.905 50 0 HHAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2ccc(OC)cc2)C1=O ZINC000002213998 535507011 /nfs/dbraw/zinc/50/70/11/535507011.db2.gz NMKHQUBXROWYFM-OQKWZONESA-N 1 0 407.514 3.545 50 0 HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc3nc(C)cn23)CC1 ZINC000012548175 535747065 /nfs/dbraw/zinc/74/70/65/535747065.db2.gz BPJZBWGXINHDLP-UHFFFAOYSA-N 1 0 417.966 3.681 50 0 HHAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1OC ZINC000000795469 557082779 /nfs/dbraw/zinc/08/27/79/557082779.db2.gz CYUIBIPBITUDQH-UHFFFAOYSA-N 1 0 416.949 3.928 50 0 HHAARO CCOC(=O)CCCCCC(=O)c1ccc(C[NH+]2CCC3(CC2)OCCO3)cc1 ZINC000002514767 557354024 /nfs/dbraw/zinc/35/40/24/557354024.db2.gz YBUQJZDFYVRJJY-UHFFFAOYSA-N 1 0 403.519 3.722 50 0 HHAARO COc1ccc([N+]2=C3CCCCCN3C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000003104150 557447017 /nfs/dbraw/zinc/44/70/17/557447017.db2.gz DONZALOUMKCURO-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO O=C(NCC[NH+]1CCCC1)[C@H]1CCCN(c2nc3ccccc3n2C2CCCC2)C1 ZINC000034906690 557473882 /nfs/dbraw/zinc/47/38/82/557473882.db2.gz XUFQJCOYFNGHRY-IBGZPJMESA-N 1 0 409.578 3.580 50 0 HHAARO CC1CC[NH+](CCC2CCN([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)CC1 ZINC000004727904 557587714 /nfs/dbraw/zinc/58/77/14/557587714.db2.gz JXZIDTIGLNTOQQ-NRFANRHFSA-N 1 0 417.981 3.806 50 0 HHAARO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC[NH+](CC)CC)c1C ZINC000005053957 557631141 /nfs/dbraw/zinc/63/11/41/557631141.db2.gz QJUVWQWGKAEPBQ-UHFFFAOYSA-N 1 0 413.562 3.797 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000006767743 557720518 /nfs/dbraw/zinc/72/05/18/557720518.db2.gz PIMGVHHGNGJWTH-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO C[C@H](O)c1ccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000007541265 557746329 /nfs/dbraw/zinc/74/63/29/557746329.db2.gz BSYWTMGXAUWCMW-INIZCTEOSA-N 1 0 421.526 3.858 50 0 HHAARO CCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022696823 557783560 /nfs/dbraw/zinc/78/35/60/557783560.db2.gz KALQWBMBERBVTE-DEOSSOPVSA-N 1 0 403.526 3.794 50 0 HHAARO CN(Cc1ccco1)C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022782128 557819677 /nfs/dbraw/zinc/81/96/77/557819677.db2.gz QXFWNULKVXFWQF-UHFFFAOYSA-N 1 0 403.526 3.645 50 0 HHAARO CCOc1cc(C[NH2+]Cc2ccccn2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356550 557839088 /nfs/dbraw/zinc/83/90/88/557839088.db2.gz YONODADJECJFHF-UHFFFAOYSA-N 1 0 402.458 3.538 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@@H]2CCO)c(C)c1C ZINC000019745194 558265763 /nfs/dbraw/zinc/26/57/63/558265763.db2.gz DKURQUGGXSRWNA-QHCPKHFHSA-N 1 0 407.558 3.862 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccc4cccnc4c3)CC2)O1)c1ccco1 ZINC000011785544 558275968 /nfs/dbraw/zinc/27/59/68/558275968.db2.gz FBJOABQZRNRNDE-HXUWFJFHSA-N 1 0 405.498 3.771 50 0 HHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000011812989 558277726 /nfs/dbraw/zinc/27/77/26/558277726.db2.gz IGESZVKHVSWGON-UHFFFAOYSA-N 1 0 401.478 3.928 50 0 HHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3c(OC)cc(OC)cc3OC)C2)c1 ZINC000011816402 558279789 /nfs/dbraw/zinc/27/97/89/558279789.db2.gz GWAWKBFUYXZIJO-XMMPIXPASA-N 1 0 415.530 3.538 50 0 HHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cccc(C(C)=O)c3)C2)CC1 ZINC000019794687 558283918 /nfs/dbraw/zinc/28/39/18/558283918.db2.gz FXCBDRDNWHMBSG-HSZRJFAPSA-N 1 0 407.558 3.684 50 0 HHAARO COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000019794923 558284366 /nfs/dbraw/zinc/28/43/66/558284366.db2.gz DDXALEVLCLWZBL-JOCHJYFZSA-N 1 0 414.553 3.874 50 0 HHAARO NC(=O)CC[NH+]1CCN([C@H]2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019801826 558285625 /nfs/dbraw/zinc/28/56/25/558285625.db2.gz YTRZDTTZCDSVOR-SFHVURJKSA-N 1 0 419.953 3.721 50 0 HHAARO CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnn(C)c4)C3)C2)cc1 ZINC000011839568 558286175 /nfs/dbraw/zinc/28/61/75/558286175.db2.gz BUWZMFOVPMTYDW-RUZDIDTESA-N 1 0 408.590 3.991 50 0 HHAARO O=C(CCCn1cncn1)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011873869 558291460 /nfs/dbraw/zinc/29/14/60/558291460.db2.gz CCKZMARVMQPKHF-QFIPXVFZSA-N 1 0 424.593 3.527 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)c2cscn2)CC1 ZINC000011932754 558297741 /nfs/dbraw/zinc/29/77/41/558297741.db2.gz DDWMOHLMMCSFNQ-OAQYLSRUSA-N 1 0 413.587 3.985 50 0 HHAARO COc1cccc2ccc(C[NH+]3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)nc21 ZINC000011952874 558303094 /nfs/dbraw/zinc/30/30/94/558303094.db2.gz OQHYXONBRDCHST-OAQYLSRUSA-N 1 0 411.546 3.531 50 0 HHAARO COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1ccccc1C ZINC000012038245 558312410 /nfs/dbraw/zinc/31/24/10/558312410.db2.gz HFCKGTUTHVCGGL-RTWAWAEBSA-N 1 0 402.535 3.632 50 0 HHAARO C[C@@H](Cc1cnccn1)NC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000012074808 558319105 /nfs/dbraw/zinc/31/91/05/558319105.db2.gz WKAKEUUHPAEUEZ-SFHVURJKSA-N 1 0 410.562 3.727 50 0 HHAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)O1 ZINC000012098806 558325550 /nfs/dbraw/zinc/32/55/50/558325550.db2.gz BIOCVYBKBNRCHN-JOCHJYFZSA-N 1 0 420.553 3.534 50 0 HHAARO [NH2+]=C(NC1=N[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)C(=O)N1)Nc1ccccc1 ZINC000020101682 558331998 /nfs/dbraw/zinc/33/19/98/558331998.db2.gz VSHKHOVJOLPZIU-CQSZACIVSA-N 1 0 419.272 3.653 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000020117835 558336650 /nfs/dbraw/zinc/33/66/50/558336650.db2.gz QLFGVQRIYTUAGX-QHCPKHFHSA-N 1 0 407.558 3.568 50 0 HHAARO CSc1ccccc1NC(=O)COc1ccc(-c2ncccn2)cc1C[NH+](C)C ZINC000012218823 558354701 /nfs/dbraw/zinc/35/47/01/558354701.db2.gz IFQRBNBBFOYSAW-UHFFFAOYSA-N 1 0 408.527 3.945 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1ccc(Cl)cc1 ZINC000020351202 558356606 /nfs/dbraw/zinc/35/66/06/558356606.db2.gz OMLQTTLWILUKAQ-PKTZIBPZSA-N 1 0 411.977 3.565 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 ZINC000012245355 558361531 /nfs/dbraw/zinc/36/15/31/558361531.db2.gz RYRMZYLGUDNAFM-CQSZACIVSA-N 1 0 407.436 3.556 50 0 HHAARO C[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)N(C(=O)c1ccoc1)c1ccccn1 ZINC000020432297 558362687 /nfs/dbraw/zinc/36/26/87/558362687.db2.gz VSMFDKKIQXPUEK-FQEVSTJZSA-N 1 0 404.514 3.528 50 0 HHAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012314503 558378029 /nfs/dbraw/zinc/37/80/29/558378029.db2.gz NGHXIGIDVFRANI-UHFFFAOYSA-N 1 0 406.534 3.891 50 0 HHAARO CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NC[C@H]2CCC[N@H+]2CC)C1=O ZINC000020518239 558383509 /nfs/dbraw/zinc/38/35/09/558383509.db2.gz VLSUTUTZNVHOCL-ACXJOVJBSA-N 1 0 403.526 3.851 50 0 HHAARO COc1cccc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)c1 ZINC000012386802 558395585 /nfs/dbraw/zinc/39/55/85/558395585.db2.gz SPDZKADSAOYJMK-UHFFFAOYSA-N 1 0 408.498 3.928 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](CCCn2cccn2)CC1)c1ccccc1Cl ZINC000012387381 558396069 /nfs/dbraw/zinc/39/60/69/558396069.db2.gz WMBFBDAPZPZEBT-UHFFFAOYSA-N 1 0 412.925 3.713 50 0 HHAARO CC[N@@H+](Cc1ccc(OCCO)cc1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012387485 558396489 /nfs/dbraw/zinc/39/64/89/558396489.db2.gz NQWJUTVKELRZBZ-QHCPKHFHSA-N 1 0 414.565 3.973 50 0 HHAARO COc1cc(C(=O)N[C@@H](c2ccccn2)C(F)(F)F)ccc1OC1CC[NH+](C)CC1 ZINC000012387803 558396683 /nfs/dbraw/zinc/39/66/83/558396683.db2.gz LURCTNDLPHTZBX-IBGZPJMESA-N 1 0 423.435 3.597 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CCCC[C@H]1CCO ZINC000012430452 558405175 /nfs/dbraw/zinc/40/51/75/558405175.db2.gz YHLDMBHCMCBNSK-QFIPXVFZSA-N 1 0 423.557 3.502 50 0 HHAARO COc1ccccc1-n1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccccn2)cn1 ZINC000012432334 558406710 /nfs/dbraw/zinc/40/67/10/558406710.db2.gz NLHBUPBEXFHSBY-IBGZPJMESA-N 1 0 400.486 3.629 50 0 HHAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@@H]2CCO)cc1 ZINC000020781668 558412919 /nfs/dbraw/zinc/41/29/19/558412919.db2.gz XOHCTIZHLXLAPZ-QFIPXVFZSA-N 1 0 424.976 3.903 50 0 HHAARO COc1cc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cc(OC)c1OC ZINC000012443547 558412934 /nfs/dbraw/zinc/41/29/34/558412934.db2.gz BXMCRATWRLNTMD-UHFFFAOYSA-N 1 0 415.530 3.756 50 0 HHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 ZINC000012457999 558417942 /nfs/dbraw/zinc/41/79/42/558417942.db2.gz UZCVJDZDRUYTBU-HXUWFJFHSA-N 1 0 414.546 3.851 50 0 HHAARO Cc1ccc(-n2cc(C[NH2+]CCN3CCC[C@@H](O)C3)c(-c3cccc(C)c3)n2)cc1 ZINC000020995165 558426567 /nfs/dbraw/zinc/42/65/67/558426567.db2.gz XCHNHACIKYPMIO-XMMPIXPASA-N 1 0 404.558 3.702 50 0 HHAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)cc1 ZINC000020998151 558427523 /nfs/dbraw/zinc/42/75/23/558427523.db2.gz DYZUQNYFBBZWBS-QHCPKHFHSA-N 1 0 405.542 3.702 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@H](COC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000072015845 558429097 /nfs/dbraw/zinc/42/90/97/558429097.db2.gz PKYQEWRLPTUHMQ-HDFUYHJRSA-N 1 0 410.514 3.574 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 ZINC000012612205 558438647 /nfs/dbraw/zinc/43/86/47/558438647.db2.gz ZAJVSQQCVRSNIM-LJQANCHMSA-N 1 0 402.432 3.991 50 0 HHAARO C[NH+](C)CCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2c(cccc2Cl)s1 ZINC000004359328 558451103 /nfs/dbraw/zinc/45/11/03/558451103.db2.gz SDQTXEFETJACSW-INIZCTEOSA-N 1 0 417.918 3.684 50 0 HHAARO COCCN(Cc1ccc2nonc2c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012762730 558461482 /nfs/dbraw/zinc/46/14/82/558461482.db2.gz FSNYSBYOQHDANV-FQEVSTJZSA-N 1 0 420.557 3.551 50 0 HHAARO O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022611072 558501958 /nfs/dbraw/zinc/50/19/58/558501958.db2.gz YURHEVHFTGFZEI-UHFFFAOYSA-N 1 0 411.933 3.815 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000022787518 558511240 /nfs/dbraw/zinc/51/12/40/558511240.db2.gz FFSJESMFDDSWTB-UHFFFAOYSA-N 1 0 400.542 3.753 50 0 HHAARO COC(=O)c1ccccc1OCCC[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000022861163 558517540 /nfs/dbraw/zinc/51/75/40/558517540.db2.gz ZGHQYWAPSBRARZ-UHFFFAOYSA-N 1 0 402.922 3.713 50 0 HHAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)c1 ZINC000013636615 558554347 /nfs/dbraw/zinc/55/43/47/558554347.db2.gz ILOTUFMCVUSVBQ-IBGZPJMESA-N 1 0 408.542 3.939 50 0 HHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000023374862 558554513 /nfs/dbraw/zinc/55/45/13/558554513.db2.gz YUOIRBBLTKYSQJ-QHCPKHFHSA-N 1 0 404.558 3.762 50 0 HHAARO COC[C@H]1CCN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)C1 ZINC000023399116 558556716 /nfs/dbraw/zinc/55/67/16/558556716.db2.gz XNOAZVIRPOFPFD-QFIPXVFZSA-N 1 0 422.569 3.881 50 0 HHAARO CN(C(=O)CCN1Cc2ccccc2C1=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000023505553 558560157 /nfs/dbraw/zinc/56/01/57/558560157.db2.gz XOBGPSQLSVWLLV-HSZRJFAPSA-N 1 0 419.569 3.588 50 0 HHAARO COc1ccccc1C[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 ZINC000013717616 558580333 /nfs/dbraw/zinc/58/03/33/558580333.db2.gz WQMBHPQCLHSEPD-UHFFFAOYSA-N 1 0 417.469 3.762 50 0 HHAARO Cc1nc(SCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)n(C2CCCCC2)c1C ZINC000024115567 558589954 /nfs/dbraw/zinc/58/99/54/558589954.db2.gz CVOWZLFLCVAFAT-HXUWFJFHSA-N 1 0 422.639 3.570 50 0 HHAARO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000014184975 558630289 /nfs/dbraw/zinc/63/02/89/558630289.db2.gz UVIYHBOQRJZEEP-HNNXBMFYSA-N 1 0 407.436 3.762 50 0 HHAARO C[C@H]1C[NH+](CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000014187304 558631536 /nfs/dbraw/zinc/63/15/36/558631536.db2.gz UFVOYJCGNSYLHV-ROUUACIJSA-N 1 0 424.570 3.830 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Cc1ccccc1 ZINC000014196911 558633861 /nfs/dbraw/zinc/63/38/61/558633861.db2.gz XYDARHBNHXYYNL-HXUWFJFHSA-N 1 0 407.539 3.903 50 0 HHAARO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)c2cccc3ccccc32)CC1)C(C)C ZINC000014252643 558650514 /nfs/dbraw/zinc/65/05/14/558650514.db2.gz FZFUCDGBDYZGNU-UHFFFAOYSA-N 1 0 409.574 3.927 50 0 HHAARO CCCCNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000014531845 558656416 /nfs/dbraw/zinc/65/64/16/558656416.db2.gz OHYBQFRJUFKKAJ-VQTJNVASSA-N 1 0 411.521 3.819 50 0 HHAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014746029 558669170 /nfs/dbraw/zinc/66/91/70/558669170.db2.gz JGNPIWCFCJEPTH-UHFFFAOYSA-N 1 0 416.525 3.639 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)CSCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000027087159 558669436 /nfs/dbraw/zinc/66/94/36/558669436.db2.gz UZNKEARHAOSUHA-NRFANRHFSA-N 1 0 413.587 3.866 50 0 HHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](CCc1ccccc1)CC2 ZINC000014755335 558671760 /nfs/dbraw/zinc/67/17/60/558671760.db2.gz RAFAUYLQWQITOP-UHFFFAOYSA-N 1 0 421.541 3.557 50 0 HHAARO O=C(Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccn2-c2nccs2)C1 ZINC000014882317 558676355 /nfs/dbraw/zinc/67/63/55/558676355.db2.gz FMDUDKZJMSTGMQ-IRLDBZIGSA-N 1 0 420.582 3.989 50 0 HHAARO O=C1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccncc1 ZINC000014882802 558676720 /nfs/dbraw/zinc/67/67/20/558676720.db2.gz VBDROGSSUSDDDS-UHFFFAOYSA-N 1 0 401.510 3.895 50 0 HHAARO CSCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000014952036 558681192 /nfs/dbraw/zinc/68/11/92/558681192.db2.gz BIAKYFLKXQUFME-HXUWFJFHSA-N 1 0 408.583 3.798 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](Cc4cccc5nonc54)C3)C2)c1 ZINC000014955561 558682178 /nfs/dbraw/zinc/68/21/78/558682178.db2.gz AIICRLOWZVFDHU-QHCPKHFHSA-N 1 0 410.493 3.859 50 0 HHAARO CCn1cc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 ZINC000014966575 558685828 /nfs/dbraw/zinc/68/58/28/558685828.db2.gz NYZRZCHSOKSAFF-QGZVFWFLSA-N 1 0 400.954 3.616 50 0 HHAARO C[N@H+](Cc1nccs1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014994043 558695568 /nfs/dbraw/zinc/69/55/68/558695568.db2.gz OPXAKUSZEIJUBQ-CQSZACIVSA-N 1 0 407.923 3.538 50 0 HHAARO Cc1cc(=O)c(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(CC2CCCC2)n1C ZINC000014995227 558695811 /nfs/dbraw/zinc/69/58/11/558695811.db2.gz KHZQTDQDDYGSDP-UHFFFAOYSA-N 1 0 421.585 3.821 50 0 HHAARO CCSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)n1 ZINC000028289366 558695967 /nfs/dbraw/zinc/69/59/67/558695967.db2.gz VTBZHPAPPIGMOS-QGZVFWFLSA-N 1 0 420.966 3.818 50 0 HHAARO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH+]([C@H](C)Cc2cccnc2)CC3)cc1 ZINC000014996598 558696403 /nfs/dbraw/zinc/69/64/03/558696403.db2.gz GWORXNYQGUOQHR-ZJSXRUAMSA-N 1 0 421.585 3.961 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1 ZINC000015063598 558706131 /nfs/dbraw/zinc/70/61/31/558706131.db2.gz MLRWHIWOXVKHMI-DEOSSOPVSA-N 1 0 412.505 3.977 50 0 HHAARO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(CN2CCCC2=O)c1 ZINC000072281251 558706985 /nfs/dbraw/zinc/70/69/85/558706985.db2.gz ZKJPNFHIQQSNHJ-IBGZPJMESA-N 1 0 412.559 3.829 50 0 HHAARO C[C@H](CCn1cccn1)[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000015066920 558709894 /nfs/dbraw/zinc/70/98/94/558709894.db2.gz WVFTXZBLNXCOBX-HXUWFJFHSA-N 1 0 410.562 3.831 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000015067247 558710194 /nfs/dbraw/zinc/71/01/94/558710194.db2.gz ABLSGFLPCIFIAL-PRGQWFPMSA-N 1 0 411.590 3.942 50 0 HHAARO CCOCCC[NH2+][C@@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c32)C1 ZINC000015069325 558711737 /nfs/dbraw/zinc/71/17/37/558711737.db2.gz OVNFLLHYWBWVIS-GOSISDBHSA-N 1 0 411.571 3.688 50 0 HHAARO O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000015071876 558713319 /nfs/dbraw/zinc/71/33/19/558713319.db2.gz DKROEBIGFLEIDZ-SFHVURJKSA-N 1 0 420.513 3.688 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1cnsn1 ZINC000015075189 558715811 /nfs/dbraw/zinc/71/58/11/558715811.db2.gz WHZHYAIEOJYVFB-HNNXBMFYSA-N 1 0 412.481 3.584 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N[C@H](C)c2ccncn2)c1 ZINC000015078527 558717724 /nfs/dbraw/zinc/71/77/24/558717724.db2.gz KXXRZHCLKFRALT-QGZVFWFLSA-N 1 0 424.545 3.762 50 0 HHAARO CC[NH+]1CCN(CCCNC(=O)c2ccc(N3CCCc4ccccc43)s2)CC1 ZINC000022937319 558724373 /nfs/dbraw/zinc/72/43/73/558724373.db2.gz JBTNZYVCFJPMRH-UHFFFAOYSA-N 1 0 412.603 3.590 50 0 HHAARO O=C(COc1ccc(Br)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477081 558740829 /nfs/dbraw/zinc/74/08/29/558740829.db2.gz FZTADTOIHRJMLX-QGZVFWFLSA-N 1 0 407.308 3.764 50 0 HHAARO CN(C)C(=O)c1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000015566157 558744273 /nfs/dbraw/zinc/74/42/73/558744273.db2.gz RSXZBXQBRWTSLD-UHFFFAOYSA-N 1 0 423.513 3.500 50 0 HHAARO Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c(C)c1 ZINC000016021446 558767559 /nfs/dbraw/zinc/76/75/59/558767559.db2.gz VBHHCVNDCIBTFZ-ZSHKSDETSA-N 1 0 419.569 3.879 50 0 HHAARO CC[C@@H](NC(=O)C[NH2+]CCOc1ccccc1OC)c1ccc(Br)cc1 ZINC000016695468 558800949 /nfs/dbraw/zinc/80/09/49/558800949.db2.gz PQGYERZFRDMBMN-QGZVFWFLSA-N 1 0 421.335 3.694 50 0 HHAARO NC(=O)c1cccc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000071890563 558807981 /nfs/dbraw/zinc/80/79/81/558807981.db2.gz PKXFAGJTQONQHB-IBGZPJMESA-N 1 0 406.461 3.744 50 0 HHAARO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[C@H](C)[NH+]3CCCCCC3)CC2)[nH]1 ZINC000033024369 558841567 /nfs/dbraw/zinc/84/15/67/558841567.db2.gz ZQAQRCUFHMQXPA-FQEVSTJZSA-N 1 0 416.610 3.645 50 0 HHAARO Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[N@H+]3CCCC[C@H]3C)CC2)c(C)c1C ZINC000033024417 558841818 /nfs/dbraw/zinc/84/18/18/558841818.db2.gz YDPPWTPUFTZAPV-QGZVFWFLSA-N 1 0 416.610 3.563 50 0 HHAARO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 ZINC000019147131 558846782 /nfs/dbraw/zinc/84/67/82/558846782.db2.gz DDXUCNKGWNDEKK-SFHVURJKSA-N 1 0 421.566 3.943 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccc(OC)cc4)ccc3n2)CC1 ZINC000013671921 558853717 /nfs/dbraw/zinc/85/37/17/558853717.db2.gz KNTRFPXDFASXNB-UHFFFAOYSA-N 1 0 404.514 3.946 50 0 HHAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000019337284 558870315 /nfs/dbraw/zinc/87/03/15/558870315.db2.gz MALMFOVXYIFREW-UHFFFAOYSA-N 1 0 406.534 3.891 50 0 HHAARO O=C(CCC(F)(F)F)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055074255 558871735 /nfs/dbraw/zinc/87/17/35/558871735.db2.gz AXYPMKCSKIPNNW-KRWDZBQOSA-N 1 0 403.876 3.796 50 0 HHAARO Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]([NH+]4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090751 558872091 /nfs/dbraw/zinc/87/20/91/558872091.db2.gz PTSUEFBWPBOWQO-FQEVSTJZSA-N 1 0 417.557 3.607 50 0 HHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](C2CSCCSC2)CC1 ZINC000055368863 558880077 /nfs/dbraw/zinc/88/00/77/558880077.db2.gz SIJKJLZMDAPBEX-UHFFFAOYSA-N 1 0 409.617 3.949 50 0 HHAARO O=C(c1cccc(OC2CC[NH+](Cc3cccc4nonc43)CC2)c1)N1CCCC1 ZINC000055359419 558880133 /nfs/dbraw/zinc/88/01/33/558880133.db2.gz NFWFRXPYPWBDLF-UHFFFAOYSA-N 1 0 406.486 3.502 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccc4nonc4c3)CC2)cc1)N1CCCC1 ZINC000055371571 558880413 /nfs/dbraw/zinc/88/04/13/558880413.db2.gz OREZVKLWCDACLS-UHFFFAOYSA-N 1 0 406.486 3.502 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000033135970 558888344 /nfs/dbraw/zinc/88/83/44/558888344.db2.gz KBXATALWVVWXFZ-HXUWFJFHSA-N 1 0 405.464 3.814 50 0 HHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1ccc(OC)c(OC)c1OC ZINC000004679277 558890252 /nfs/dbraw/zinc/89/02/52/558890252.db2.gz VSOORWPJZGRGPJ-UHFFFAOYSA-N 1 0 415.465 3.974 50 0 HHAARO CC(=O)Nc1nc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cs1 ZINC000058143736 558901676 /nfs/dbraw/zinc/90/16/76/558901676.db2.gz KHDPZRYMRIPENL-HUUCEWRRSA-N 1 0 400.548 3.509 50 0 HHAARO CCOC(=O)C1C(C[NH+]2CCCCCCC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000058167073 558907360 /nfs/dbraw/zinc/90/73/60/558907360.db2.gz HSRYRNCPZDOBJJ-IBGZPJMESA-N 1 0 405.926 3.777 50 0 HHAARO CC1CC[NH+]([C@@H](CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1 ZINC000058197546 558911160 /nfs/dbraw/zinc/91/11/60/558911160.db2.gz NIHVAVKVMLDUBV-SFHVURJKSA-N 1 0 410.547 3.924 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058378524 558923005 /nfs/dbraw/zinc/92/30/05/558923005.db2.gz GEEQTXRPTAAMDU-IBGZPJMESA-N 1 0 413.512 3.820 50 0 HHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000019595388 558946129 /nfs/dbraw/zinc/94/61/29/558946129.db2.gz ITWSFRNMQXVAFO-HXUWFJFHSA-N 1 0 413.587 3.567 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635740 558947408 /nfs/dbraw/zinc/94/74/08/558947408.db2.gz WVJCNWGHJGBCLF-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072463375 558983282 /nfs/dbraw/zinc/98/32/82/558983282.db2.gz BRGQTNGSKMHTKL-MOPGFXCFSA-N 1 0 419.456 3.623 50 0 HHAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c2)C1 ZINC000033264388 558984371 /nfs/dbraw/zinc/98/43/71/558984371.db2.gz BKOBBYMKNYHCKH-UGKGYDQZSA-N 1 0 414.594 3.588 50 0 HHAARO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4C)CC3)n2)c1 ZINC000067601768 558987482 /nfs/dbraw/zinc/98/74/82/558987482.db2.gz CICRNODVZJNPSY-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)cc(N2CCCC2)[nH+]1 ZINC000067601764 558987491 /nfs/dbraw/zinc/98/74/91/558987491.db2.gz ZNEXQXKSBYRJEC-UHFFFAOYSA-N 1 0 401.514 3.501 50 0 HHAARO Cc1cccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)c1 ZINC000067601890 558987657 /nfs/dbraw/zinc/98/76/57/558987657.db2.gz FHYCISLULZQHDF-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO CC(C)Cn1c(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)nc2ccccc21 ZINC000067692171 558991645 /nfs/dbraw/zinc/99/16/45/558991645.db2.gz YZSOFCXHSJFJSM-UHFFFAOYSA-N 1 0 412.578 3.543 50 0 HHAARO CCCC1(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CCC1 ZINC000082097451 559037770 /nfs/dbraw/zinc/03/77/70/559037770.db2.gz CQHFJSHXNVEJPR-QFIPXVFZSA-N 1 0 412.622 3.845 50 0 HHAARO CCCn1c2ccccc2nc(-c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)c1=O ZINC000033298525 559047915 /nfs/dbraw/zinc/04/79/15/559047915.db2.gz FAJWQGQOKRFSOL-UHFFFAOYSA-N 1 0 418.541 3.689 50 0 HHAARO CCCC[NH+]1CCN(C(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)CC1 ZINC000033313152 559055142 /nfs/dbraw/zinc/05/51/42/559055142.db2.gz WUCVSEHEVQFRGF-UHFFFAOYSA-N 1 0 407.562 3.692 50 0 HHAARO Cc1ccc(OCC[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)cc1C ZINC000091586018 559072131 /nfs/dbraw/zinc/07/21/31/559072131.db2.gz RVNMIBWYICYPSE-QFIPXVFZSA-N 1 0 400.563 3.566 50 0 HHAARO CCCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091624855 559072479 /nfs/dbraw/zinc/07/24/79/559072479.db2.gz SZQJVHNYXNLASC-OAQYLSRUSA-N 1 0 400.563 3.859 50 0 HHAARO COc1ccccc1-c1ncc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)s1 ZINC000092062269 559075472 /nfs/dbraw/zinc/07/54/72/559075472.db2.gz BHMDYVPSPWEJHV-ZHRRBRCNSA-N 1 0 402.560 3.818 50 0 HHAARO COc1ccc(C(=O)NCCc2ccc(C)o2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095503196 559082750 /nfs/dbraw/zinc/08/27/50/559082750.db2.gz BVNROKRLGWAAJS-UHFFFAOYSA-N 1 0 400.519 3.821 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccc(F)c1 ZINC000011603846 559113188 /nfs/dbraw/zinc/11/31/88/559113188.db2.gz DMBYNACQRXXPOU-HXUWFJFHSA-N 1 0 410.493 3.602 50 0 HHAARO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000023466482 559175839 /nfs/dbraw/zinc/17/58/39/559175839.db2.gz SKKKFWFOKFFSKZ-QPPBQGQZSA-N 1 0 410.558 3.662 50 0 HHAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000024022766 559187771 /nfs/dbraw/zinc/18/77/71/559187771.db2.gz ZNUPVPXZFVJZME-XMMPIXPASA-N 1 0 421.516 3.933 50 0 HHAARO O=C(CCc1ccc2c(c1)CCO2)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199324 559189814 /nfs/dbraw/zinc/18/98/14/559189814.db2.gz ZRBXXIDEDYNXKB-NZCWTCFWSA-N 1 0 406.570 3.976 50 0 HHAARO Cc1cc2sc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)nc2c(C)c1 ZINC000005107377 559246133 /nfs/dbraw/zinc/24/61/33/559246133.db2.gz PQEYCQLBMWZMLL-UHFFFAOYSA-N 1 0 400.592 3.732 50 0 HHAARO O=C(NCc1cccc(Cl)c1)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000039229724 559258463 /nfs/dbraw/zinc/25/84/63/559258463.db2.gz HZKRCMQLXSPZGV-NRFANRHFSA-N 1 0 406.917 3.816 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000248220410 559269046 /nfs/dbraw/zinc/26/90/46/559269046.db2.gz HOGDXWPASSFKCX-KQSXWVITSA-N 1 0 410.602 3.998 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)C1 ZINC000248220407 559269083 /nfs/dbraw/zinc/26/90/83/559269083.db2.gz HOGDXWPASSFKCX-AVDSPKTLSA-N 1 0 410.602 3.998 50 0 HHAARO COc1ccsc1C(=O)Nc1cc(Br)ccc1N1CC[NH+](C)CC1 ZINC000078783660 560540716 /nfs/dbraw/zinc/54/07/16/560540716.db2.gz CWKFAGKUFUDADH-UHFFFAOYSA-N 1 0 410.337 3.523 50 0 HHAARO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)Cc3ccc(F)cc3)nc21 ZINC000005268258 560556480 /nfs/dbraw/zinc/55/64/80/560556480.db2.gz GULFNJQAQRQDIM-UHFFFAOYSA-N 1 0 401.507 3.971 50 0 HHAARO CCC[N@H+](CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)Cc1ccccc1 ZINC000062581691 560632118 /nfs/dbraw/zinc/63/21/18/560632118.db2.gz KAUPUKPOTPWJMV-UHFFFAOYSA-N 1 0 411.571 3.726 50 0 HHAARO COc1ccc(CCS(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008901874 560640176 /nfs/dbraw/zinc/64/01/76/560640176.db2.gz KQZRLKGTJNLHEI-NRFANRHFSA-N 1 0 422.616 3.836 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)/C=C\c2ccc(OCc3ccccn3)cc2)C1 ZINC000221705225 560836019 /nfs/dbraw/zinc/83/60/19/560836019.db2.gz PKYQEWRLPTUHMQ-JXOZOUPFSA-N 1 0 410.514 3.574 50 0 HHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984307 560858958 /nfs/dbraw/zinc/85/89/58/560858958.db2.gz SUEWZKUMSAHMSS-XZOQPEGZSA-N 1 0 414.521 3.854 50 0 HHAARO Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)Cn3ccnc3)[C@H]2c2cccs2)cc1 ZINC000106111028 560884776 /nfs/dbraw/zinc/88/47/76/560884776.db2.gz PIIOCFNCGFZODF-MMOPVJDHSA-N 1 0 408.527 3.552 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000047417224 560886765 /nfs/dbraw/zinc/88/67/65/560886765.db2.gz BZZQZBSAQVAKDN-IYBDPMFKSA-N 1 0 402.564 3.768 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000106309357 560889750 /nfs/dbraw/zinc/88/97/50/560889750.db2.gz LTNFSNGXIZXJMD-UNMCSNQZSA-N 1 0 421.589 3.741 50 0 HHAARO Cn1c(CC[NH+]2CCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000005207394 568417427 /nfs/dbraw/zinc/41/74/27/568417427.db2.gz WOMISWOVMFQAQE-UHFFFAOYSA-N 1 0 412.921 3.883 50 0 HHAARO CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032421 568424676 /nfs/dbraw/zinc/42/46/76/568424676.db2.gz ZUWDSOLQQFHULI-UHFFFAOYSA-N 1 0 406.511 3.849 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CN(C)C(=O)c3cccs3)cc2)C1 ZINC000048311218 568436917 /nfs/dbraw/zinc/43/69/17/568436917.db2.gz GDHYMUCVQGRVMM-HDICACEKSA-N 1 0 413.587 3.614 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3ccc(C)c(C)c3)cc2)CC1 ZINC000048302245 568437718 /nfs/dbraw/zinc/43/77/18/568437718.db2.gz UFQYZYUXBKFUHX-UHFFFAOYSA-N 1 0 409.574 3.526 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000048314954 568438080 /nfs/dbraw/zinc/43/80/80/568438080.db2.gz MNJUJPGVGRFGKA-QGZVFWFLSA-N 1 0 404.894 3.590 50 0 HHAARO C[NH+](C)CCOc1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000048324487 568438461 /nfs/dbraw/zinc/43/84/61/568438461.db2.gz IWECEJHMPUETAA-UHFFFAOYSA-N 1 0 417.556 3.789 50 0 HHAARO COc1cc([C@@H](C)[NH2+]Cc2ccc(OCc3cscn3)cc2)ccc1OCCO ZINC000048341029 568440394 /nfs/dbraw/zinc/44/03/94/568440394.db2.gz FIXHQPTVTXFIHC-MRXNPFEDSA-N 1 0 414.527 3.953 50 0 HHAARO COC(=O)c1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(F)cc1F ZINC000048341907 568440525 /nfs/dbraw/zinc/44/05/25/568440525.db2.gz ZKODKEGJESOVKW-UHFFFAOYSA-N 1 0 403.429 3.538 50 0 HHAARO COc1ccc(C[N@H+](C)Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)cc1OC ZINC000048346073 568441057 /nfs/dbraw/zinc/44/10/57/568441057.db2.gz JBRWXJSVRWCVTD-UHFFFAOYSA-N 1 0 422.312 3.959 50 0 HHAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@H](O)c1ccccc1 ZINC000048353522 568441114 /nfs/dbraw/zinc/44/11/14/568441114.db2.gz FLAKRGKWKBOZAI-AZUAARDMSA-N 1 0 410.543 3.843 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1nc2c(s1)c(C)ccc2OC ZINC000012286807 568458740 /nfs/dbraw/zinc/45/87/40/568458740.db2.gz FRTSMYGMZXWYKG-UHFFFAOYSA-N 1 0 415.563 3.644 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965915 568488095 /nfs/dbraw/zinc/48/80/95/568488095.db2.gz UOPYWSHBHCOWHB-XMMPIXPASA-N 1 0 412.578 3.969 50 0 HHAARO CC[N@H+](CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC)C1CC1 ZINC000095432818 568609388 /nfs/dbraw/zinc/60/93/88/568609388.db2.gz DYHBLLSLLGBYCP-NRFANRHFSA-N 1 0 421.541 3.918 50 0 HHAARO CN1CCO[C@@H]([C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c2ccc(Cl)cc2)C1 ZINC000095451750 568614839 /nfs/dbraw/zinc/61/48/39/568614839.db2.gz QBEFGYMOMNOSAB-FGZHOGPDSA-N 1 0 414.912 3.826 50 0 HHAARO O=C(O[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc(N2CCOC2=O)cc1 ZINC000095456238 568617570 /nfs/dbraw/zinc/61/75/70/568617570.db2.gz IUMUVYNNMSSCBX-JOCHJYFZSA-N 1 0 406.482 3.563 50 0 HHAARO O=C(O[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1)c1ccc(N2CCOC2=O)cc1 ZINC000095456239 568617596 /nfs/dbraw/zinc/61/75/96/568617596.db2.gz IUMUVYNNMSSCBX-QFIPXVFZSA-N 1 0 406.482 3.563 50 0 HHAARO CCC[NH+]1CCN(c2nnc(-n3cccc3C(=O)Nc3cccc(C)c3C)s2)CC1 ZINC000020980829 568654420 /nfs/dbraw/zinc/65/44/20/568654420.db2.gz ZIYJOONYKRUNLR-UHFFFAOYSA-N 1 0 424.574 3.730 50 0 HHAARO COc1ccccc1N1CCC[C@H]([NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000095940793 568661766 /nfs/dbraw/zinc/66/17/66/568661766.db2.gz XVEQVJISUKNOPN-FCHUYYIVSA-N 1 0 405.546 3.985 50 0 HHAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccn(-c3cccc(F)c3)n1)c1ccccc1O2 ZINC000095955314 568669070 /nfs/dbraw/zinc/66/90/70/568669070.db2.gz GPLUQVPDLPULMG-OAQYLSRUSA-N 1 0 420.488 3.729 50 0 HHAARO CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1OC ZINC000095979798 568675069 /nfs/dbraw/zinc/67/50/69/568675069.db2.gz UUJDJGLWVXALJA-MSOLQXFVSA-N 1 0 408.498 3.791 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000021175135 568676860 /nfs/dbraw/zinc/67/68/60/568676860.db2.gz NNYPKHHSFBSIRW-UHFFFAOYSA-N 1 0 416.953 3.991 50 0 HHAARO C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420341 568720383 /nfs/dbraw/zinc/72/03/83/568720383.db2.gz MTDASFVQYTWGOX-WCQYABFASA-N 1 0 407.146 3.683 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420307 568720518 /nfs/dbraw/zinc/72/05/18/568720518.db2.gz ZQODDIMANSGQIW-YRGRVCCFSA-N 1 0 421.173 3.929 50 0 HHAARO CCOC(=O)c1cnc2c(C(=O)OC)cccc2c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000955139 568758713 /nfs/dbraw/zinc/75/87/13/568758713.db2.gz UAFQRMXLNQGDRM-UHFFFAOYSA-N 1 0 413.518 3.919 50 0 HHAARO Cc1ccccc1Nc1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1cnn2C ZINC000021928625 568761619 /nfs/dbraw/zinc/76/16/19/568761619.db2.gz OIDAIKUILXXRQV-UHFFFAOYSA-N 1 0 405.550 3.870 50 0 HHAARO O=C(CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1)Nc1ccc(Cl)cc1F ZINC000022199708 568765332 /nfs/dbraw/zinc/76/53/32/568765332.db2.gz HGRSACFTCYOOFW-UHFFFAOYSA-N 1 0 417.912 3.836 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1 ZINC000022579692 568770695 /nfs/dbraw/zinc/77/06/95/568770695.db2.gz NXVLBDLFHTXPLP-DEOSSOPVSA-N 1 0 403.526 3.567 50 0 HHAARO CC[C@H](C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2ccccc2C1=O ZINC000299754339 568782253 /nfs/dbraw/zinc/78/22/53/568782253.db2.gz BGJGYRYEEYYBGW-UZVYXBEXSA-N 1 0 411.590 3.780 50 0 HHAARO C[NH+](C)CCCNCc1nn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 ZINC000261491971 568820250 /nfs/dbraw/zinc/82/02/50/568820250.db2.gz NMOIKTFNBQLIOP-UHFFFAOYSA-N 1 0 401.917 3.827 50 0 HHAARO O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1F ZINC000056896255 568820867 /nfs/dbraw/zinc/82/08/67/568820867.db2.gz QEEIWCLZBWGTBI-HSZRJFAPSA-N 1 0 422.479 3.653 50 0 HHAARO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccco1 ZINC000057314311 568826691 /nfs/dbraw/zinc/82/66/91/568826691.db2.gz PDCCRMZRCFDQAI-UHFFFAOYSA-N 1 0 420.538 3.729 50 0 HHAARO CC[NH+](CC)CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000005979272 568833926 /nfs/dbraw/zinc/83/39/26/568833926.db2.gz FZAGYOHSLFNQQK-GAJHUEQPSA-N 1 0 418.541 3.560 50 0 HHAARO COc1c(Br)cc(Br)cc1C[NH2+]CCc1ccccn1 ZINC000034991252 568835430 /nfs/dbraw/zinc/83/54/30/568835430.db2.gz FBZKESIQDGOKOM-UHFFFAOYSA-N 1 0 400.114 3.948 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1cnc2c(cnn2C(C)C)c1 ZINC000012507684 568839606 /nfs/dbraw/zinc/83/96/06/568839606.db2.gz JEBFUNCQMLIHNL-UHFFFAOYSA-N 1 0 419.533 3.956 50 0 HHAARO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1-c1cc(F)ccc1Cl ZINC000230206493 568854998 /nfs/dbraw/zinc/85/49/98/568854998.db2.gz BSRKOWKXVWEBEG-KXBFYZLASA-N 1 0 404.917 3.968 50 0 biogenic HHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000057681162 568858183 /nfs/dbraw/zinc/85/81/83/568858183.db2.gz QCDSSQYRARBRNJ-VWLOTQADSA-N 1 0 413.521 3.951 50 0 HHAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)[C@H]1Cc2ccccc2O1 ZINC000057681164 568858204 /nfs/dbraw/zinc/85/82/04/568858204.db2.gz QCDSSQYRARBRNJ-RUZDIDTESA-N 1 0 413.521 3.951 50 0 HHAARO CC[NH+]1CCN(c2ccc(NCc3cc(=O)oc4cc(OC)ccc34)cc2C)CC1 ZINC000057903605 568866738 /nfs/dbraw/zinc/86/67/38/568866738.db2.gz HDBPTAXSRPKSPN-UHFFFAOYSA-N 1 0 407.514 3.864 50 0 HHAARO O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000299756721 568872827 /nfs/dbraw/zinc/87/28/27/568872827.db2.gz DXWVLCUZSIMVMG-UHFFFAOYSA-N 1 0 423.532 3.653 50 0 HHAARO CC1(C)C[C@H](C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770199 568874200 /nfs/dbraw/zinc/87/42/00/568874200.db2.gz QFJSKZJYZRUYPF-TZIWHRDSSA-N 1 0 418.553 3.661 50 0 HHAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+][C@@H](C)Cc3cccs3)CC2)c1 ZINC000299782173 568875168 /nfs/dbraw/zinc/87/51/68/568875168.db2.gz FUDPKVAXFFAPGQ-INIZCTEOSA-N 1 0 407.605 3.699 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1 ZINC000299788096 568875548 /nfs/dbraw/zinc/87/55/48/568875548.db2.gz WLBGGGVRGAWACH-PKTZIBPZSA-N 1 0 406.526 3.529 50 0 HHAARO O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccccc1OCC[NH+]1CCCCC1 ZINC000263587045 568882130 /nfs/dbraw/zinc/88/21/30/568882130.db2.gz BKTSJSJNPVLRTI-UHFFFAOYSA-N 1 0 420.513 3.771 50 0 HHAARO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCC[NH+]1CCCCCC1 ZINC000015736029 568889106 /nfs/dbraw/zinc/88/91/06/568889106.db2.gz HPNOQHFMJBKUCF-UHFFFAOYSA-N 1 0 424.570 3.575 50 0 HHAARO CC1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(N4CCCC4=O)cc3)cc2)CC1 ZINC000031201536 568918987 /nfs/dbraw/zinc/91/89/87/568918987.db2.gz QVFVPIITHDHMKE-UHFFFAOYSA-N 1 0 419.569 3.904 50 0 HHAARO Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1C ZINC000012727293 568921047 /nfs/dbraw/zinc/92/10/47/568921047.db2.gz GXVWYDAALOMBEZ-GOSISDBHSA-N 1 0 409.530 3.537 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000031662845 568929033 /nfs/dbraw/zinc/92/90/33/568929033.db2.gz PNIAURQIGNOZNL-MOPGFXCFSA-N 1 0 413.484 3.840 50 0 HHAARO O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000006445956 568936652 /nfs/dbraw/zinc/93/66/52/568936652.db2.gz GIVOPYHHSKYZIU-UKRRQHHQSA-N 1 0 424.452 3.622 50 0 HHAARO Cc1cc(C)nc(SCC(=O)N(C)C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000084114589 568938626 /nfs/dbraw/zinc/93/86/26/568938626.db2.gz VDHOAIVLYPKFIH-IRXDYDNUSA-N 1 0 412.603 3.801 50 0 HHAARO COc1ccccc1N1C[C@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1CCCCC2 ZINC000004086860 568940475 /nfs/dbraw/zinc/94/04/75/568940475.db2.gz ABYVGJDCQUOUEX-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC[N@H+]3CCCC[C@H]3C)C2)nn1 ZINC000230162228 568951317 /nfs/dbraw/zinc/95/13/17/568951317.db2.gz UYAZVZQXNBLBRO-NHCUHLMSSA-N 1 0 421.589 3.659 50 0 HHAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000015681437 568967958 /nfs/dbraw/zinc/96/79/58/568967958.db2.gz OTKAYFCUNMFYCM-LJQANCHMSA-N 1 0 405.546 3.884 50 0 HHAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000015681438 568968035 /nfs/dbraw/zinc/96/80/35/568968035.db2.gz OTKAYFCUNMFYCM-IBGZPJMESA-N 1 0 405.546 3.884 50 0 HHAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983510 569009770 /nfs/dbraw/zinc/00/97/70/569009770.db2.gz VAZRBLAKDVLURD-FCHUYYIVSA-N 1 0 400.494 3.607 50 0 HHAARO Cc1sc2ncnc(SCC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC000012891454 569020070 /nfs/dbraw/zinc/02/00/70/569020070.db2.gz ORFFOYRMIBBACK-QGZVFWFLSA-N 1 0 412.584 3.791 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000015972324 569025269 /nfs/dbraw/zinc/02/52/69/569025269.db2.gz AMUPFGDCAJZQCJ-BTCOZLQPSA-N 1 0 411.477 3.645 50 0 HHAARO C[C@@H](NC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000035360308 569033707 /nfs/dbraw/zinc/03/37/07/569033707.db2.gz GAIXORVAXMXKSY-NNESSARFSA-N 1 0 419.569 3.501 50 0 HHAARO Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035485466 569039743 /nfs/dbraw/zinc/03/97/43/569039743.db2.gz SDNYVZVJYMFPNP-XWEVFREBSA-N 1 0 405.542 3.571 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2F)C[C@@H](C)O1 ZINC000229828373 569040724 /nfs/dbraw/zinc/04/07/24/569040724.db2.gz WQTKMQITCGZKGF-ZHALLVOQSA-N 1 0 404.530 3.531 50 0 HHAARO C[N@H+](CCCNC(=O)[C@@H]1CCCN(c2nc3cccnc3s2)C1)C1CCCCC1 ZINC000035505264 569040843 /nfs/dbraw/zinc/04/08/43/569040843.db2.gz MGKOTXBZVZOZCM-QGZVFWFLSA-N 1 0 415.607 3.679 50 0 HHAARO O=C(CSc1nc2ccccc2s1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090609001 569042390 /nfs/dbraw/zinc/04/23/90/569042390.db2.gz WCOVWTRWBJSIDX-OAHLLOKOSA-N 1 0 407.630 3.818 50 0 HHAARO CC[NH+](CC)CCNC(=O)CC1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1 ZINC000035562015 569045101 /nfs/dbraw/zinc/04/51/01/569045101.db2.gz PXCZWLGDKOQINI-UHFFFAOYSA-N 1 0 418.969 3.522 50 0 HHAARO COc1cc(CCC(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc(OC)c1 ZINC000013010869 569050090 /nfs/dbraw/zinc/05/00/90/569050090.db2.gz ROUAXBPJPFZNHZ-QFIPXVFZSA-N 1 0 412.530 3.598 50 0 HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1cc(F)c(F)cc1F ZINC000524730002 569051593 /nfs/dbraw/zinc/05/15/93/569051593.db2.gz QTTFGBTYBHEPPP-HRAATJIYSA-N 1 0 412.496 3.776 50 0 HHAARO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570504 569052125 /nfs/dbraw/zinc/05/21/25/569052125.db2.gz BAMQVPYWMNHYKI-IAVIKHRSSA-N 1 0 409.574 3.811 50 0 HHAARO Cc1cc(O[C@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)c(C)c(=O)oc2c1 ZINC000006659550 569083704 /nfs/dbraw/zinc/08/37/04/569083704.db2.gz JKSVEWRNHTZELU-MRXNPFEDSA-N 1 0 414.546 3.911 50 0 HHAARO Cc1c(C)c(=O)oc2cc(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000006660036 569084151 /nfs/dbraw/zinc/08/41/51/569084151.db2.gz JCTVQSNDGVVLOX-UHFFFAOYSA-N 1 0 420.509 3.569 50 0 HHAARO CCc1csc(-c2ccc(S(=O)(=O)NCC[N@H+](C)C3CCCCC3)s2)n1 ZINC000064755866 569089702 /nfs/dbraw/zinc/08/97/02/569089702.db2.gz RMKRSJPPEZJWCY-UHFFFAOYSA-N 1 0 413.634 3.977 50 0 HHAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036097205 569090214 /nfs/dbraw/zinc/09/02/14/569090214.db2.gz HZSIGRCNSKUDIZ-IBGZPJMESA-N 1 0 423.937 3.636 50 0 HHAARO Fc1ccc(OCc2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)cc1 ZINC000064761136 569091269 /nfs/dbraw/zinc/09/12/69/569091269.db2.gz PDCJOSYMWBMNCV-UHFFFAOYSA-N 1 0 407.449 3.900 50 0 HHAARO CCc1cccc2c([C@@H](CC(=O)NCC[NH+](C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006706258 569095236 /nfs/dbraw/zinc/09/52/36/569095236.db2.gz IGVCXUYXZRUBEN-IBGZPJMESA-N 1 0 407.514 3.659 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc(N2CCCC2)[nH+]1 ZINC000064799725 569097347 /nfs/dbraw/zinc/09/73/47/569097347.db2.gz CTAGERATOJPXNL-UHFFFAOYSA-N 1 0 420.344 3.654 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1c(C)onc1-c1ccc(Br)s1 ZINC000064820086 569102398 /nfs/dbraw/zinc/10/23/98/569102398.db2.gz RKKQPUMURDBSKT-UHFFFAOYSA-N 1 0 400.342 3.936 50 0 HHAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146892 569098839 /nfs/dbraw/zinc/09/88/39/569098839.db2.gz SDYDBWPPZLNUJY-UPVQGACJSA-N 1 0 420.509 3.853 50 0 HHAARO Cc1ccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000036340524 569141702 /nfs/dbraw/zinc/14/17/02/569141702.db2.gz PUOVKHBGDUTWFB-FQEVSTJZSA-N 1 0 416.569 3.854 50 0 HHAARO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)cc1OCC ZINC000006891462 569174095 /nfs/dbraw/zinc/17/40/95/569174095.db2.gz AHPNCPDCFIKKOK-IBGZPJMESA-N 1 0 401.532 3.778 50 0 HHAARO Cc1ccc2c(cc(NC(=O)C3CCC3)cc2C(=O)N2CC[NH+](CC(C)C)CC2)n1 ZINC000065136102 569183274 /nfs/dbraw/zinc/18/32/74/569183274.db2.gz ZWHDIZOKRHQGAK-UHFFFAOYSA-N 1 0 408.546 3.696 50 0 HHAARO O=C(Cn1ncc2c3ccccc3[nH]c2c1=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006937537 569185192 /nfs/dbraw/zinc/18/51/92/569185192.db2.gz KNZXOCMXICBJIE-UHFFFAOYSA-N 1 0 415.497 3.502 50 0 HHAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCC[NH+]3CCCCC3)c12 ZINC000007004099 569198398 /nfs/dbraw/zinc/19/83/98/569198398.db2.gz WFNIZMNVJFVKET-UHFFFAOYSA-N 1 0 405.546 3.952 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000007263613 569230805 /nfs/dbraw/zinc/23/08/05/569230805.db2.gz LGZMBUZBXFGZIJ-JOCHJYFZSA-N 1 0 420.509 3.997 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000065547841 569234840 /nfs/dbraw/zinc/23/48/40/569234840.db2.gz HGVXMVHDZGCVMA-IBGZPJMESA-N 1 0 410.537 3.616 50 0 HHAARO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000170597466 569242131 /nfs/dbraw/zinc/24/21/31/569242131.db2.gz FLBPPPZJVZBPKC-PKTZIBPZSA-N 1 0 423.557 3.691 50 0 HHAARO COC(=O)c1cccc(CS(=O)(=O)Nc2ccc3c(c2)C[N@@H+](CCC(C)C)C3)c1 ZINC000170609153 569244902 /nfs/dbraw/zinc/24/49/02/569244902.db2.gz RBRIKKXKSLNFFC-UHFFFAOYSA-N 1 0 416.543 3.777 50 0 HHAARO Cc1cc(NCc2cnc3ccc(Br)cn23)cc(N2CC[NH+](C)CC2)c1 ZINC000170608785 569245151 /nfs/dbraw/zinc/24/51/51/569245151.db2.gz NFRNYMHCDNAKQF-UHFFFAOYSA-N 1 0 414.351 3.769 50 0 HHAARO COc1ccc(C2(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCOCC2)cc1 ZINC000071284076 569251980 /nfs/dbraw/zinc/25/19/80/569251980.db2.gz RGXYBIKXKJEZJW-UHFFFAOYSA-N 1 0 408.542 3.524 50 0 HHAARO Cn1ncc2c1nc(N1CC[NH+](Cc3ccccc3)CC1)nc2Nc1ccc(F)cc1 ZINC000017148924 569275700 /nfs/dbraw/zinc/27/57/00/569275700.db2.gz MHININBZRWUWLX-UHFFFAOYSA-N 1 0 417.492 3.568 50 0 HHAARO COC[C@](C)([NH2+]C[C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 ZINC000252493899 569290733 /nfs/dbraw/zinc/29/07/33/569290733.db2.gz NGBKYQCQZOFVHC-YKSBVNFPSA-N 1 0 413.562 3.916 50 0 HHAARO Cn1cc(CCC(=O)OC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000252680056 569319913 /nfs/dbraw/zinc/31/99/13/569319913.db2.gz VBXGEFKAIZDEBB-XLIONFOSSA-N 1 0 409.452 3.998 50 0 HHAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007910349 569321554 /nfs/dbraw/zinc/32/15/54/569321554.db2.gz QJMAHCIVKIVZFD-HXUWFJFHSA-N 1 0 407.558 3.701 50 0 HHAARO Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C2=O)c(C)c1 ZINC000253429214 569368788 /nfs/dbraw/zinc/36/87/88/569368788.db2.gz MKESYZTUMLPMOO-AQNXPRMDSA-N 1 0 415.578 3.952 50 0 HHAARO C[NH+](C)CCCn1c2sc3c(c2c(=O)n(C2CCCCC2)c1=O)CCCCC3 ZINC000002440587 569400590 /nfs/dbraw/zinc/40/05/90/569400590.db2.gz YNRKSQUMXYOYHT-UHFFFAOYSA-N 1 0 403.592 3.951 50 0 HHAARO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@@H]1CCCc2ccccc21 ZINC000027906426 569409476 /nfs/dbraw/zinc/40/94/76/569409476.db2.gz PRPDUDNBOMQDCJ-LJQANCHMSA-N 1 0 409.486 3.505 50 0 HHAARO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953978 569421996 /nfs/dbraw/zinc/42/19/96/569421996.db2.gz FKYVRHSALSZXPX-ROUUACIJSA-N 1 0 402.491 3.910 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCc2c(C)nn(CC(C)C)c2C)CC1 ZINC000039996376 571137244 /nfs/dbraw/zinc/13/72/44/571137244.db2.gz CCBPXWQSLBGUGS-UHFFFAOYSA-N 1 0 411.594 3.869 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccc(F)cc3)c(C)c2)CC1 ZINC000040103848 571164384 /nfs/dbraw/zinc/16/43/84/571164384.db2.gz OSHZXPMRMIQIEV-UHFFFAOYSA-N 1 0 414.525 3.819 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)CCc3ccc(O)cc3)c(C)c2)CC1 ZINC000040103843 571164489 /nfs/dbraw/zinc/16/44/89/571164489.db2.gz KPNFPABQRINSKN-IBGZPJMESA-N 1 0 410.562 3.985 50 0 HHAARO CCC(CC)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C)[NH+]1CCCC1 ZINC000040105024 571165904 /nfs/dbraw/zinc/16/59/04/571165904.db2.gz RSYWHJCAQVMUHP-JOCHJYFZSA-N 1 0 402.583 3.854 50 0 HHAARO FC(F)(F)c1ccc(N2CCN(C3CC[NH+](Cc4cccs4)CC3)CC2)nc1 ZINC000244914773 571210432 /nfs/dbraw/zinc/21/04/32/571210432.db2.gz BDMXMFUGBJUJRL-UHFFFAOYSA-N 1 0 410.509 3.949 50 0 HHAARO O=C(NCC1CC[NH+](C2CCSCC2)CC1)c1cc(Br)cs1 ZINC000244969088 571210890 /nfs/dbraw/zinc/21/08/90/571210890.db2.gz GXNYZWCKVRTLQX-UHFFFAOYSA-N 1 0 403.411 3.848 50 0 HHAARO O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069458957 571228171 /nfs/dbraw/zinc/22/81/71/571228171.db2.gz MYSZHTVGSFDWQA-FCHUYYIVSA-N 1 0 401.551 3.864 50 0 HHAARO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCCCC3)c3ccccc3c2=O)cc1 ZINC000009433784 571258600 /nfs/dbraw/zinc/25/86/00/571258600.db2.gz PSWUQVHMPXOUOQ-UHFFFAOYSA-N 1 0 419.525 3.605 50 0 HHAARO CCn1c2ccc(C(=O)NCC3([NH+]4CCCCC4)CCCCC3)cc2nc(C)c1=O ZINC000009502993 571263457 /nfs/dbraw/zinc/26/34/57/571263457.db2.gz SCUWCKSDNUQJPW-UHFFFAOYSA-N 1 0 410.562 3.643 50 0 HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)cc1N1CCCC1=O ZINC000009515656 571264890 /nfs/dbraw/zinc/26/48/90/571264890.db2.gz QRWIXXOSXPJGSH-SFHVURJKSA-N 1 0 401.894 3.627 50 0 HHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(C)cc2)N(CCC[NH+](C)C)C1=O ZINC000010233221 571297635 /nfs/dbraw/zinc/29/76/35/571297635.db2.gz FJJZQMLCIUZHTL-NRFANRHFSA-N 1 0 406.482 3.607 50 0 HHAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333502 571300465 /nfs/dbraw/zinc/30/04/65/571300465.db2.gz UAGKORUJYGJDOP-NRFANRHFSA-N 1 0 405.498 3.514 50 0 HHAARO O=C(C[NH+]1CCC(COCc2ccc(Cl)cc2)CC1)NCCc1ccccc1 ZINC000077191612 571312314 /nfs/dbraw/zinc/31/23/14/571312314.db2.gz MUACXQJNJSHHFM-UHFFFAOYSA-N 1 0 400.950 3.928 50 0 HHAARO Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CC[NH+](Cc2ccsc2)CC1 ZINC000077200879 571313142 /nfs/dbraw/zinc/31/31/42/571313142.db2.gz TYJJAYUDDUWYLI-UHFFFAOYSA-N 1 0 412.534 3.930 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011841541 962201416 /nfs/dbraw/zinc/20/14/16/962201416.db2.gz MQNXGIKAHITOPP-NRFANRHFSA-N 1 0 414.569 3.522 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc4ccccc43)CC2)O1)C1CCOCC1 ZINC000011872781 962204421 /nfs/dbraw/zinc/20/44/21/962204421.db2.gz LWCJNYXWPVZGGZ-HSZRJFAPSA-N 1 0 422.569 3.896 50 0 HHAARO C[C@H]1C[N@H+](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000011910228 962207708 /nfs/dbraw/zinc/20/77/08/962207708.db2.gz AHEOTJSPZQIZCU-SIKLNZKXSA-N 1 0 406.526 3.781 50 0 HHAARO COc1cccc(OC)c1C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccccc3)O2)CC1 ZINC000011971525 962217869 /nfs/dbraw/zinc/21/78/69/962217869.db2.gz VKNORHZRJOYNDE-HXUWFJFHSA-N 1 0 424.541 3.647 50 0 HHAARO C[C@H](CC[N@H+]1CCc2nnc(CCNC(=O)C3CCCCC3)n2CC1)c1ccccc1 ZINC000012004844 962221817 /nfs/dbraw/zinc/22/18/17/962221817.db2.gz RYHXGNWUROLSLQ-HXUWFJFHSA-N 1 0 423.605 3.569 50 0 HHAARO CC[C@@H](C)C[NH+]1CCC([C@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000012042928 962227593 /nfs/dbraw/zinc/22/75/93/962227593.db2.gz BAZWGHSDSGSGLF-KOSHJBKYSA-N 1 0 415.578 3.696 50 0 HHAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000012092356 962237086 /nfs/dbraw/zinc/23/70/86/962237086.db2.gz LQYMFSFEGZMQPY-UHFFFAOYSA-N 1 0 400.563 3.666 50 0 HHAARO COc1cccc(CCNC(=O)[C@@H]2CC23CC[NH+](Cc2ccccc2OC)CC3)c1 ZINC000012181618 962249955 /nfs/dbraw/zinc/24/99/55/962249955.db2.gz QVYGLKMBYHQMJZ-QFIPXVFZSA-N 1 0 408.542 3.665 50 0 HHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)c1cc2ccccc2[nH]1 ZINC000012194769 962252697 /nfs/dbraw/zinc/25/26/97/962252697.db2.gz GNZQGDISSJVYHI-SFHVURJKSA-N 1 0 405.498 3.581 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)c1OC ZINC000012449868 962282913 /nfs/dbraw/zinc/28/29/13/962282913.db2.gz UXUSRDHVLYTVKC-IRLDBZIGSA-N 1 0 408.542 3.759 50 0 HHAARO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 ZINC000012467641 962283533 /nfs/dbraw/zinc/28/35/33/962283533.db2.gz SGJAMJXECQHAMK-HNNXBMFYSA-N 1 0 422.545 3.796 50 0 HHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1cc(C)nc(C)n1 ZINC000012708571 962315548 /nfs/dbraw/zinc/31/55/48/962315548.db2.gz XAAMRCVGJKISNR-OAQYLSRUSA-N 1 0 410.562 3.519 50 0 HHAARO CC[C@@H](COC)NC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012708986 962316266 /nfs/dbraw/zinc/31/62/66/962316266.db2.gz XDNXDUWRKTYDKY-QFIPXVFZSA-N 1 0 410.558 3.927 50 0 HHAARO COc1cc(C(=O)N(C)CCOc2ccc(C)cc2)ccc1OC1CC[NH+](C)CC1 ZINC000012763939 962325894 /nfs/dbraw/zinc/32/58/94/962325894.db2.gz JSFPBAQHWDEANZ-UHFFFAOYSA-N 1 0 412.530 3.628 50 0 HHAARO Cc1ccc(F)cc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014742623 962566816 /nfs/dbraw/zinc/56/68/16/962566816.db2.gz UONFGFVQEGDEDG-NRFANRHFSA-N 1 0 420.532 3.728 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccc1OC)C2 ZINC000014752284 962568193 /nfs/dbraw/zinc/56/81/93/962568193.db2.gz KLPXAOFJXNHNQF-HXUWFJFHSA-N 1 0 424.589 3.617 50 0 HHAARO COC[C@H]1CCCCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000015079642 962653534 /nfs/dbraw/zinc/65/35/34/962653534.db2.gz VQICNZOXRVIVQO-JOCHJYFZSA-N 1 0 423.557 3.766 50 0 HHAARO O=C1CC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)CCN1CCOc1ccccc1 ZINC000020542914 963389255 /nfs/dbraw/zinc/38/92/55/963389255.db2.gz PYYFFWGLIWWJAF-UHFFFAOYSA-N 1 0 424.932 3.639 50 0 HHAARO c1nn(-c2ccccc2)cc1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020908873 963403472 /nfs/dbraw/zinc/40/34/72/963403472.db2.gz XMMHMPYAMMSWSM-RUZDIDTESA-N 1 0 401.558 3.659 50 0 HHAARO CC(C)Cn1c(CN(C)CC2([NH+]3CCCCC3)CCCCC2)cnc1S(C)(=O)=O ZINC000022913265 963739341 /nfs/dbraw/zinc/73/93/41/963739341.db2.gz VOECUZZPWABCAV-UHFFFAOYSA-N 1 0 424.655 3.563 50 0 HHAARO CCc1ccc(CN2CCC([NH+]3CCC(C(=O)NCc4cccnc4)CC3)CC2)cc1 ZINC000055061142 965748347 /nfs/dbraw/zinc/74/83/47/965748347.db2.gz OUFZAFFQQOITOT-UHFFFAOYSA-N 1 0 420.601 3.637 50 0 HHAARO CC(=O)Nc1cccc2nc(CN3CC[N@H+](CC4CCCCC4)[C@H](CCO)C3)ccc21 ZINC000039543804 966499373 /nfs/dbraw/zinc/49/93/73/966499373.db2.gz PNMDALKBRJJUJF-JOCHJYFZSA-N 1 0 424.589 3.642 50 0 HHAARO Cc1oc2c(c1C(=O)NCC[N@H+]1CCCC[C@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000169750496 970468057 /nfs/dbraw/zinc/46/80/57/970468057.db2.gz FCFXUMTURYJEOX-QGZVFWFLSA-N 1 0 413.537 3.890 50 0 HHAARO CCCNC(=O)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776671 970478378 /nfs/dbraw/zinc/47/83/78/970478378.db2.gz UZJCQIDKPMTZLZ-OAQYLSRUSA-N 1 0 403.542 3.923 50 0 HHAARO COCC[NH+]1CCC2(CC1)CN(Cc1cccc(F)c1F)Cc1ccccc1O2 ZINC000257183328 970620089 /nfs/dbraw/zinc/62/00/89/970620089.db2.gz HJJYIFAPGXIWLL-UHFFFAOYSA-N 1 0 402.485 3.840 50 0 HHAARO CCC[N@H+](C)C[C@@H]1CC(F)(F)CN1C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000409419929 972890425 /nfs/dbraw/zinc/89/04/25/972890425.db2.gz ABCLOMJZTSAGIF-FQEVSTJZSA-N 1 0 418.532 3.824 50 0 HHAARO CCOc1ccc(C(=O)N2C[C@@H](c3nnc(C(C)C)o3)C3(C2)CC[NH+](C)CC3)cc1 ZINC000409420031 972891057 /nfs/dbraw/zinc/89/10/57/972891057.db2.gz MHCPAFMAYWFKCY-IBGZPJMESA-N 1 0 412.534 3.543 50 0 HHAARO CC[NH+]1CCN(c2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc32)CC1 ZINC000007615891 132325140 /nfs/dbraw/zinc/32/51/40/132325140.db2.gz OULLZKWPNDUWHT-UHFFFAOYSA-N 1 0 410.884 3.879 50 0 HHAARO Cc1ccc(-c2noc(-c3ccc(N4CCC([NH+]5CCCCC5)CC4)nn3)n2)cc1 ZINC000035378717 132801425 /nfs/dbraw/zinc/80/14/25/132801425.db2.gz XTTLWVXOOCHFFS-UHFFFAOYSA-N 1 0 404.518 3.957 50 0 HHAARO CC(=O)N(c1nc(/C=C/C(=O)N2CC[NH+](CC(C)C)CC2)cs1)c1ccccc1 ZINC000040160080 519474678 /nfs/dbraw/zinc/47/46/78/519474678.db2.gz DTMFHVRPEOHAMK-MDZDMXLPSA-N 1 0 412.559 3.641 50 0 HHAARO CCCC[NH+]1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579023 520590447 /nfs/dbraw/zinc/59/04/47/520590447.db2.gz URCNJLMLUMNIQY-UHFFFAOYSA-N 1 0 420.513 3.727 50 0 HHAARO CCOc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)ccc1O ZINC000020537396 520700005 /nfs/dbraw/zinc/70/00/05/520700005.db2.gz OCZVVGZDVOFFIZ-FQEVSTJZSA-N 1 0 413.537 3.717 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 ZINC000020543192 522378869 /nfs/dbraw/zinc/37/88/69/522378869.db2.gz YEAZZPVEQHREAZ-QFIPXVFZSA-N 1 0 413.537 3.630 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3ccc4c(c3)CCO4)C2)cc1OC ZINC000020541002 523939902 /nfs/dbraw/zinc/93/99/02/523939902.db2.gz JBFWUMDQWLGYMS-JOCHJYFZSA-N 1 0 410.558 3.778 50 0 HHAARO COc1ccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c(F)c1 ZINC000020535049 524028926 /nfs/dbraw/zinc/02/89/26/524028926.db2.gz XYSGTLPXNKOAIN-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040355989 524105384 /nfs/dbraw/zinc/10/53/84/524105384.db2.gz IBIKYIDMPYPBRV-CQSZACIVSA-N 1 0 404.511 3.529 50 0 HHAARO Cc1ccc(C[NH2+][C@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c43)C2)cc1 ZINC000020599054 524612380 /nfs/dbraw/zinc/61/23/80/524612380.db2.gz LCZNKPCKWJSOKJ-SFHVURJKSA-N 1 0 416.550 3.857 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000053968172 525138220 /nfs/dbraw/zinc/13/82/20/525138220.db2.gz CMMMPALXZGWOOM-UHFFFAOYSA-N 1 0 414.933 3.743 50 0 HHAARO COc1ccc([C@@H](CNc2ccc3nnc(C(F)(F)F)n3n2)[NH+]2CCCCC2)cc1 ZINC000032869497 525187654 /nfs/dbraw/zinc/18/76/54/525187654.db2.gz SFHZAPFRBAXOJC-MRXNPFEDSA-N 1 0 420.439 3.791 50 0 HHAARO COc1ccc([C@H](CNS(=O)(=O)C2=Cc3ccccc3CC2)[NH+]2CCCC2)cc1 ZINC000032679676 525362003 /nfs/dbraw/zinc/36/20/03/525362003.db2.gz VVURXOQAAYPVSX-QHCPKHFHSA-N 1 0 412.555 3.739 50 0 HHAARO c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538566 526424755 /nfs/dbraw/zinc/42/47/55/526424755.db2.gz DZDQNOPGIHQEMH-QHCPKHFHSA-N 1 0 401.558 3.659 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000040160061 526492440 /nfs/dbraw/zinc/49/24/40/526492440.db2.gz BYIWOTXNMBQNCY-FQEVSTJZSA-N 1 0 407.543 3.664 50 0 HHAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)c(Cl)c1 ZINC000043953947 527213581 /nfs/dbraw/zinc/21/35/81/527213581.db2.gz MLRYABXMURHIFH-UHFFFAOYSA-N 1 0 402.944 3.731 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](Cc2ccccc2)[C@H](CCO)C1 ZINC000036385674 527528286 /nfs/dbraw/zinc/52/82/86/527528286.db2.gz XZVKUQKLYWSWFI-XMMPIXPASA-N 1 0 422.548 3.697 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000032879884 527529674 /nfs/dbraw/zinc/52/96/74/527529674.db2.gz NTPAXDCUFWYFPJ-LJQANCHMSA-N 1 0 415.896 3.686 50 0 HHAARO O=C(C1CC[NH+](Cc2ccccc2F)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000000795507 557083158 /nfs/dbraw/zinc/08/31/58/557083158.db2.gz DMVCWJPNZDSXKX-RMKNXTFCSA-N 1 0 421.560 3.895 50 0 HHAARO COc1ccc([C@H]2CCc3nc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cn3C2)cc1 ZINC000034898773 557480725 /nfs/dbraw/zinc/48/07/25/557480725.db2.gz ZDMZLNXQHOJNDR-QUCCMNQESA-N 1 0 410.562 3.616 50 0 HHAARO COc1ccc(OC)c(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c1 ZINC000004673458 557579861 /nfs/dbraw/zinc/57/98/61/557579861.db2.gz FJFXXQMLQSLBIE-UHFFFAOYSA-N 1 0 402.922 3.886 50 0 HHAARO CCc1ccc2nc(N3CCC(C(=O)NCCC[NH+](CC)CC)CC3)sc2c1 ZINC000004757372 557594604 /nfs/dbraw/zinc/59/46/04/557594604.db2.gz HHTWFKVJGKBWQL-UHFFFAOYSA-N 1 0 402.608 3.923 50 0 HHAARO O=C1C[C@@H]([C@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000005015832 557626067 /nfs/dbraw/zinc/62/60/67/557626067.db2.gz KOJFHACVEAYTSQ-SJORKVTESA-N 1 0 408.420 3.601 50 0 HHAARO C[N@H+](CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)Cc1ccccc1 ZINC000006876465 557728072 /nfs/dbraw/zinc/72/80/72/557728072.db2.gz MLLIIZBHMUFJKF-UHFFFAOYSA-N 1 0 411.477 3.636 50 0 HHAARO COc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CC[NH+](C)CC3)cc1 ZINC000002715993 557749994 /nfs/dbraw/zinc/74/99/94/557749994.db2.gz LVWCZZSJYQBZSM-UHFFFAOYSA-N 1 0 411.502 3.529 50 0 HHAARO CCOc1ccc(N2C[C@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)cc1 ZINC000002974613 557776048 /nfs/dbraw/zinc/77/60/48/557776048.db2.gz YHJCGKQMZWJOGY-DEOSSOPVSA-N 1 0 409.506 3.507 50 0 HHAARO COc1ccccc1[N+]1=C2CCCCN2[C@](O)(c2ccc(Br)cc2)C1 ZINC000002966236 557777783 /nfs/dbraw/zinc/77/77/83/557777783.db2.gz QILAFOWZJSZCAK-HXUWFJFHSA-N 1 0 402.312 3.718 50 0 HHAARO CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000008745110 557804638 /nfs/dbraw/zinc/80/46/38/557804638.db2.gz FFHDZCDLBYLUEI-UHFFFAOYSA-N 1 0 419.447 3.801 50 0 HHAARO Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(Cl)c3C)n2)s1 ZINC000009938586 557851978 /nfs/dbraw/zinc/85/19/78/557851978.db2.gz WBDNMIDQYSJCMI-UHFFFAOYSA-N 1 0 421.939 3.643 50 0 HHAARO O[C@H](COc1ccccc1-c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022918042 558260821 /nfs/dbraw/zinc/26/08/21/558260821.db2.gz XRFMRRPTNKCBRI-DEOSSOPVSA-N 1 0 402.538 3.911 50 0 HHAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000019741161 558261837 /nfs/dbraw/zinc/26/18/37/558261837.db2.gz AQAAOESVHFCTBB-HSZRJFAPSA-N 1 0 419.548 3.798 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@@H](C)CCSC)CC2)c(Cl)c1 ZINC000011663134 558266715 /nfs/dbraw/zinc/26/67/15/558266715.db2.gz QVAXJNHILKXKMW-HNNXBMFYSA-N 1 0 414.999 3.701 50 0 HHAARO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000011663448 558267215 /nfs/dbraw/zinc/26/72/15/558267215.db2.gz GSKRPYDSLLVIOX-FQEVSTJZSA-N 1 0 406.452 3.599 50 0 HHAARO COc1ccc(OCc2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)no2)c(Cl)c1 ZINC000011720274 558272103 /nfs/dbraw/zinc/27/21/03/558272103.db2.gz IACIDIIYGIOIQX-UHFFFAOYSA-N 1 0 419.909 3.616 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)c(Cl)c1 ZINC000011762021 558273336 /nfs/dbraw/zinc/27/33/36/558273336.db2.gz OTOWPXBLZBLDOQ-UHFFFAOYSA-N 1 0 416.949 3.802 50 0 HHAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]CCCn1ncc2ccccc21 ZINC000011819763 558282968 /nfs/dbraw/zinc/28/29/68/558282968.db2.gz OILXVQRPYDFDGQ-UHFFFAOYSA-N 1 0 418.545 3.736 50 0 HHAARO Cc1nonc1C(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000011821708 558284734 /nfs/dbraw/zinc/28/47/34/558284734.db2.gz ORZPJSVCCVSJQW-UHFFFAOYSA-N 1 0 419.529 3.636 50 0 HHAARO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccnc4)C3)CC2)c1 ZINC000019798620 558284828 /nfs/dbraw/zinc/28/48/28/558284828.db2.gz MORMPUYFYCRRMZ-OAQYLSRUSA-N 1 0 404.480 3.887 50 0 HHAARO CN1CCC([NH+]2CCC(Oc3cccc(C(=O)NCCc4ccccc4)c3)CC2)CC1 ZINC000011838383 558285347 /nfs/dbraw/zinc/28/53/47/558285347.db2.gz YOESZYNQZFJLHR-UHFFFAOYSA-N 1 0 421.585 3.597 50 0 HHAARO Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000011842982 558287926 /nfs/dbraw/zinc/28/79/26/558287926.db2.gz HNWHZIKBMJEVNJ-JOCHJYFZSA-N 1 0 403.574 3.962 50 0 HHAARO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000011843122 558288193 /nfs/dbraw/zinc/28/81/93/558288193.db2.gz LGOMANUODBUGRC-RUZDIDTESA-N 1 0 411.542 3.836 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](C[C@H]2CC=CCC2)CC1)c1ccc2c(c1)OCO2 ZINC000011934819 558298893 /nfs/dbraw/zinc/29/88/93/558298893.db2.gz PBUOGKUWSXQAKN-KRWDZBQOSA-N 1 0 408.502 3.857 50 0 HHAARO CCOc1ccc(CC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(C)cc4)C3=O)CC2)cc1 ZINC000019890308 558302980 /nfs/dbraw/zinc/30/29/80/558302980.db2.gz FCKJNMAFSNSPPC-HSZRJFAPSA-N 1 0 406.526 3.980 50 0 HHAARO COc1cccc2ccc(C[NH+]3CCC(CCC(=O)NC[C@@H]4CCCO4)CC3)nc21 ZINC000011952864 558303080 /nfs/dbraw/zinc/30/30/80/558303080.db2.gz OQHYXONBRDCHST-NRFANRHFSA-N 1 0 411.546 3.531 50 0 HHAARO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000011999806 558308203 /nfs/dbraw/zinc/30/82/03/558308203.db2.gz UJCXHTREDKZQAX-RLLQIKCJSA-N 1 0 410.514 3.814 50 0 HHAARO OC[C@H]1CCCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012028394 558310720 /nfs/dbraw/zinc/31/07/20/558310720.db2.gz KZMPPEGHWBFNSS-OAQYLSRUSA-N 1 0 405.498 3.674 50 0 HHAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C2CCOCC2)CC1)N1CCCCC1 ZINC000012053462 558314949 /nfs/dbraw/zinc/31/49/49/558314949.db2.gz GIDVYBAHGOXBJE-UHFFFAOYSA-N 1 0 406.954 3.988 50 0 HHAARO CC(=O)Nc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012093296 558324742 /nfs/dbraw/zinc/32/47/42/558324742.db2.gz MQSGBXKYLGZAAP-FQEVSTJZSA-N 1 0 411.521 3.811 50 0 HHAARO COc1ccc(-n2cc(C[NH2+][C@H]3CCCCNC3=O)c(-c3ccccc3Cl)n2)cc1 ZINC000012197109 558350251 /nfs/dbraw/zinc/35/02/51/558350251.db2.gz RWMXAEURGVQPJJ-NRFANRHFSA-N 1 0 424.932 3.960 50 0 HHAARO CCCc1cc(C(=O)N(CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000012197952 558350572 /nfs/dbraw/zinc/35/05/72/558350572.db2.gz NYOVBEDXTMRAAI-UHFFFAOYSA-N 1 0 417.525 3.767 50 0 HHAARO CCc1[nH]nc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)c1C ZINC000012209158 558353534 /nfs/dbraw/zinc/35/35/34/558353534.db2.gz XDXKNLCTTBMMRE-UHFFFAOYSA-N 1 0 409.578 3.973 50 0 HHAARO CCc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000012282053 558365328 /nfs/dbraw/zinc/36/53/28/558365328.db2.gz YFWALYRLSSGXLO-YADHBBJMSA-N 1 0 406.526 3.991 50 0 HHAARO O=C(c1cccnc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000012282205 558365362 /nfs/dbraw/zinc/36/53/62/558365362.db2.gz RKYDHJRRZYHSQG-HXUWFJFHSA-N 1 0 411.571 3.562 50 0 HHAARO CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000012283395 558365457 /nfs/dbraw/zinc/36/54/57/558365457.db2.gz VIIBZRMVJBWKFB-UHFFFAOYSA-N 1 0 422.533 3.604 50 0 HHAARO CC(C)c1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000020455623 558369221 /nfs/dbraw/zinc/36/92/21/558369221.db2.gz FUUUYBQSYFZMFU-UHFFFAOYSA-N 1 0 421.520 3.529 50 0 HHAARO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 ZINC000012300824 558370604 /nfs/dbraw/zinc/37/06/04/558370604.db2.gz KAUUPZPROPIMAH-FQEVSTJZSA-N 1 0 418.497 3.957 50 0 HHAARO CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)CCn1cnc2ccccc21 ZINC000012314690 558378062 /nfs/dbraw/zinc/37/80/62/558378062.db2.gz QKDRCQHSWQZVEV-UHFFFAOYSA-N 1 0 422.548 3.979 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CSc1ccncc1 ZINC000012315085 558378567 /nfs/dbraw/zinc/37/85/67/558378567.db2.gz JNEZHKRPGKZHAX-SFHVURJKSA-N 1 0 401.551 3.726 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)CCn1cnc2ccccc21 ZINC000012315911 558379340 /nfs/dbraw/zinc/37/93/40/558379340.db2.gz VYJGOACNRFKUPC-UHFFFAOYSA-N 1 0 422.548 3.979 50 0 HHAARO Cc1nc2sccn2c1CN1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020512105 558382308 /nfs/dbraw/zinc/38/23/08/558382308.db2.gz DSWAEPPSBOJJAM-HXUWFJFHSA-N 1 0 413.566 3.630 50 0 HHAARO Clc1cccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc5nonc5c4)C3)CC2)c1 ZINC000020534144 558385493 /nfs/dbraw/zinc/38/54/93/558385493.db2.gz YFPTWHYSRQMSGA-FQEVSTJZSA-N 1 0 411.937 3.663 50 0 HHAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000012332544 558385659 /nfs/dbraw/zinc/38/56/59/558385659.db2.gz IKIKLHCVDXAMCT-JOCHJYFZSA-N 1 0 416.525 3.778 50 0 HHAARO CCCn1cc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c(C)n1 ZINC000020534180 558385690 /nfs/dbraw/zinc/38/56/90/558385690.db2.gz LSIKTOCOSNVFBJ-JOCHJYFZSA-N 1 0 414.594 3.758 50 0 HHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](CC3=Cc4cc(OC)ccc4OC3)C2)c1 ZINC000012386295 558395067 /nfs/dbraw/zinc/39/50/67/558395067.db2.gz NWQCCLJPCLAEDN-RUZDIDTESA-N 1 0 409.526 3.797 50 0 HHAARO O=C(c1cccnc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012430089 558404640 /nfs/dbraw/zinc/40/46/40/558404640.db2.gz KJNWHVLLYGEEOV-VWLOTQADSA-N 1 0 419.569 3.582 50 0 HHAARO CC(=O)c1ccc(OCC(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012432866 558406960 /nfs/dbraw/zinc/40/69/60/558406960.db2.gz ANQKKYALLDXINW-HSZRJFAPSA-N 1 0 408.542 3.824 50 0 HHAARO CCn1ccnc1CN(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000012433350 558407247 /nfs/dbraw/zinc/40/72/47/558407247.db2.gz PZPMXZPSMWXHAL-JOCHJYFZSA-N 1 0 414.569 3.935 50 0 HHAARO O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012433809 558407849 /nfs/dbraw/zinc/40/78/49/558407849.db2.gz KZBOBIXDIQYDLH-HXUWFJFHSA-N 1 0 421.589 3.981 50 0 HHAARO CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](CNCc2nc(C)c(C)nc2C)C[C@@]1(C)CO ZINC000020784968 558413522 /nfs/dbraw/zinc/41/35/22/558413522.db2.gz VGKYXCOWHOXIBN-OIBXWCBGSA-N 1 0 416.997 3.979 50 0 HHAARO CC[C@@H](Nc1ncnc2sc(C(=O)NCC[NH+](C)C)c(C)c21)c1cccs1 ZINC000012450363 558416031 /nfs/dbraw/zinc/41/60/31/558416031.db2.gz ZBGWESZCPXMKSL-CYBMUJFWSA-N 1 0 403.577 3.916 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCc2ccccn2)c1 ZINC000012449542 558416059 /nfs/dbraw/zinc/41/60/59/558416059.db2.gz DRKCSNPDEVPRGS-UHFFFAOYSA-N 1 0 423.557 3.849 50 0 HHAARO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012465512 558420514 /nfs/dbraw/zinc/42/05/14/558420514.db2.gz SHXZBFQZOYUPKN-FQEVSTJZSA-N 1 0 404.514 3.946 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OCC)c(CO)c2)C1 ZINC000012471993 558422093 /nfs/dbraw/zinc/42/20/93/558422093.db2.gz QMAUMZAPPZLPJB-RUZDIDTESA-N 1 0 411.542 3.966 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1ccc(-n2cccn2)cc1 ZINC000012510058 558423965 /nfs/dbraw/zinc/42/39/65/558423965.db2.gz UKBGZPFPLRNRBM-NRFANRHFSA-N 1 0 422.504 3.561 50 0 HHAARO Cc1ccc(C)c(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020993880 558426635 /nfs/dbraw/zinc/42/66/35/558426635.db2.gz HOXXHZMKITYHDE-JOCHJYFZSA-N 1 0 421.545 3.673 50 0 HHAARO COc1ccc(CC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000012586160 558434173 /nfs/dbraw/zinc/43/41/73/558434173.db2.gz JYPOOHGBVRPMHO-NRFANRHFSA-N 1 0 410.558 3.659 50 0 HHAARO COc1ccc(-n2cc(C[N@@H+]3CCCN(C(C)=O)CC3)c(-c3cccc(F)c3)n2)cc1 ZINC000012594963 558437177 /nfs/dbraw/zinc/43/71/77/558437177.db2.gz ZDHWMCROTWLCOI-UHFFFAOYSA-N 1 0 422.504 3.741 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795137 558449135 /nfs/dbraw/zinc/44/91/35/558449135.db2.gz ZBOCLKZODPCHFK-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000004359191 558449435 /nfs/dbraw/zinc/44/94/35/558449435.db2.gz YQIIHTUXOLSACA-UHFFFAOYSA-N 1 0 417.918 3.945 50 0 HHAARO Cc1cccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c1C ZINC000021795200 558449640 /nfs/dbraw/zinc/44/96/40/558449640.db2.gz DNWDKFDBOQJLHD-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1)c1cccs1 ZINC000021866116 558452754 /nfs/dbraw/zinc/45/27/54/558452754.db2.gz BPMXXICFCXERSF-FQEVSTJZSA-N 1 0 408.523 3.777 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1COc2ccccc2C1 ZINC000012713402 558453752 /nfs/dbraw/zinc/45/37/52/558453752.db2.gz JEFXCBJXTXZNQS-JOCHJYFZSA-N 1 0 410.533 3.790 50 0 HHAARO C[NH+](C)CCCN(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccc(F)cc2s1 ZINC000004359623 558456813 /nfs/dbraw/zinc/45/68/13/558456813.db2.gz GCMIYTIHKDPSIC-SFHVURJKSA-N 1 0 415.490 3.560 50 0 HHAARO COc1cc(C(=O)NCCc2ccccc2Cl)ccc1OC1CC[NH+](C)CC1 ZINC000012751077 558459128 /nfs/dbraw/zinc/45/91/28/558459128.db2.gz SMAVIZXNLZASSU-UHFFFAOYSA-N 1 0 402.922 3.794 50 0 HHAARO Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000012753402 558459484 /nfs/dbraw/zinc/45/94/84/558459484.db2.gz QVJWSPQIHHOFOD-UHFFFAOYSA-N 1 0 417.575 3.644 50 0 HHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000022276790 558475617 /nfs/dbraw/zinc/47/56/17/558475617.db2.gz OXHGUTXALMWBGX-UHFFFAOYSA-N 1 0 407.543 3.623 50 0 HHAARO COc1cc([C@H](C)O)ccc1COc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OC ZINC000012910070 558484436 /nfs/dbraw/zinc/48/44/36/558484436.db2.gz QOQJZCQGABFMGG-JXFKEZNVSA-N 1 0 401.503 3.605 50 0 HHAARO OCC[NH+]1CCN(CCO[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000022442414 558489705 /nfs/dbraw/zinc/48/97/05/558489705.db2.gz ZAAWVPYDNUHLJE-HXUWFJFHSA-N 1 0 418.990 3.715 50 0 HHAARO C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC(=O)c1ccccc1 ZINC000022619697 558503002 /nfs/dbraw/zinc/50/30/02/558503002.db2.gz MARZVFGFFSPATJ-UWJYYQICSA-N 1 0 413.949 3.802 50 0 HHAARO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000022759622 558508254 /nfs/dbraw/zinc/50/82/54/558508254.db2.gz VZDPWKSKGUQXCT-HXUWFJFHSA-N 1 0 413.543 3.894 50 0 HHAARO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1Cc1cccs1 ZINC000022913620 558520571 /nfs/dbraw/zinc/52/05/71/558520571.db2.gz MADWWQPWNAMDTR-LJQANCHMSA-N 1 0 404.963 3.746 50 0 HHAARO OCC[C@@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000023360408 558551671 /nfs/dbraw/zinc/55/16/71/558551671.db2.gz ABXUNKFPSUJBEL-HSZRJFAPSA-N 1 0 422.960 3.866 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360953 558552171 /nfs/dbraw/zinc/55/21/71/558552171.db2.gz CCRXXXKIODCOHH-DEOSSOPVSA-N 1 0 423.601 3.673 50 0 HHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)CC1 ZINC000023374865 558554583 /nfs/dbraw/zinc/55/45/83/558554583.db2.gz JDAMHLWBJLUCAM-JOCHJYFZSA-N 1 0 418.585 3.974 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000023881915 558579898 /nfs/dbraw/zinc/57/98/98/558579898.db2.gz DPAMPTPJFUTOHU-QFIPXVFZSA-N 1 0 409.603 3.629 50 0 HHAARO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717582 558580353 /nfs/dbraw/zinc/58/03/53/558580353.db2.gz LAOFTYFOPHYMQH-UHFFFAOYSA-N 1 0 419.460 3.935 50 0 HHAARO CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000069923627 558612050 /nfs/dbraw/zinc/61/20/50/558612050.db2.gz GCSBKAZYPXNGCN-UHFFFAOYSA-N 1 0 405.558 3.981 50 0 HHAARO O=C(NCC1([NH+]2CCSCC2)CCCC1)C1(c2cccc(Br)c2)CC1 ZINC000069929426 558626310 /nfs/dbraw/zinc/62/63/10/558626310.db2.gz GCIZTSNPEDGKDE-UHFFFAOYSA-N 1 0 423.420 3.959 50 0 HHAARO C[C@@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 ZINC000014196820 558633589 /nfs/dbraw/zinc/63/35/89/558633589.db2.gz FJMUUGDJKVCBPY-SNVBAGLBSA-N 1 0 410.257 3.721 50 0 HHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000014196790 558633611 /nfs/dbraw/zinc/63/36/11/558633611.db2.gz YTHRFTCYGNOIGD-NRFANRHFSA-N 1 0 401.894 3.986 50 0 HHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014530307 558655610 /nfs/dbraw/zinc/65/56/10/558655610.db2.gz AMHCWVWTOGMGKR-IBGZPJMESA-N 1 0 411.546 3.670 50 0 HHAARO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)N2CCCC2)C[N@H+](CCc2ccccc2)C1 ZINC000014530867 558655861 /nfs/dbraw/zinc/65/58/61/558655861.db2.gz KWTOHMQYEZBIFT-RTWAWAEBSA-N 1 0 423.532 3.567 50 0 HHAARO CC(C)CC[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014533298 558656814 /nfs/dbraw/zinc/65/68/14/558656814.db2.gz GWQJBARMQRAOCO-UHFFFAOYSA-N 1 0 420.557 3.927 50 0 HHAARO CC[C@@H](C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014534333 558657389 /nfs/dbraw/zinc/65/73/89/558657389.db2.gz QYTGAYMFWTZEOK-HXUWFJFHSA-N 1 0 420.557 3.927 50 0 HHAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(-c3ccccc3Cl)o1)CC2 ZINC000014540483 558659672 /nfs/dbraw/zinc/65/96/72/558659672.db2.gz BJRLYYGBKQLRSF-UHFFFAOYSA-N 1 0 401.894 3.849 50 0 HHAARO COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014542653 558660530 /nfs/dbraw/zinc/66/05/30/558660530.db2.gz NUSWZONCPJKUKB-UHFFFAOYSA-N 1 0 421.541 3.522 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1ccccc1Cl)CC2 ZINC000014732115 558665603 /nfs/dbraw/zinc/66/56/03/558665603.db2.gz YFTMZPSBMGASGE-LJQANCHMSA-N 1 0 422.960 3.934 50 0 HHAARO CC(C)C[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014750386 558670633 /nfs/dbraw/zinc/67/06/33/558670633.db2.gz DHGWPQOMUKDOHP-UHFFFAOYSA-N 1 0 406.530 3.537 50 0 HHAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)cs1 ZINC000014879508 558675517 /nfs/dbraw/zinc/67/55/17/558675517.db2.gz OCMDBIPWJRLCMI-GOSISDBHSA-N 1 0 403.523 3.534 50 0 HHAARO COc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCCC2)cc1 ZINC000027664219 558679502 /nfs/dbraw/zinc/67/95/02/558679502.db2.gz VEOPXJVTPONFOQ-QHCPKHFHSA-N 1 0 412.530 3.816 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1F ZINC000014959107 558683391 /nfs/dbraw/zinc/68/33/91/558683391.db2.gz RSLFTPMNDYTWIQ-KRWDZBQOSA-N 1 0 418.896 3.921 50 0 HHAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1ccccc1F ZINC000014959103 558683428 /nfs/dbraw/zinc/68/34/28/558683428.db2.gz RSLFTPMNDYTWIQ-QGZVFWFLSA-N 1 0 418.896 3.921 50 0 HHAARO COc1ccc(C(=O)CCC(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000015065855 558708646 /nfs/dbraw/zinc/70/86/46/558708646.db2.gz XLLBKSDTHAAJPN-QFIPXVFZSA-N 1 0 408.542 3.872 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000015069819 558711902 /nfs/dbraw/zinc/71/19/02/558711902.db2.gz HDEYJYJSCSCIAP-UHFFFAOYSA-N 1 0 422.504 3.741 50 0 HHAARO COc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c(OC)c1 ZINC000015070897 558712817 /nfs/dbraw/zinc/71/28/17/558712817.db2.gz SQLPRJQZNYCZBJ-FQEVSTJZSA-N 1 0 424.545 3.522 50 0 HHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015078070 558717725 /nfs/dbraw/zinc/71/77/25/558717725.db2.gz GGRPZBIYIVCRSG-QFIPXVFZSA-N 1 0 417.575 3.824 50 0 HHAARO COc1cc([C@H]2ON=C(C[NH2+]Cc3ccc(Cl)cc3)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015085722 558720426 /nfs/dbraw/zinc/72/04/26/558720426.db2.gz RFNMMGDMDRSNEJ-SGTLLEGYSA-N 1 0 418.877 3.939 50 0 HHAARO C[C@H](NC(=O)CN(C)C1CC[NH+](CCc2ccccn2)CC1)c1ccc(Cl)cc1 ZINC000072308296 558770273 /nfs/dbraw/zinc/77/02/73/558770273.db2.gz BJXOJLGTLJBLNH-SFHVURJKSA-N 1 0 414.981 3.551 50 0 HHAARO O=C(C[NH2+]CCOc1ccccc1F)N1c2ccccc2OC[C@H]1c1ccccc1 ZINC000016695492 558800962 /nfs/dbraw/zinc/80/09/62/558800962.db2.gz ARTMPIKNOFHFAB-NRFANRHFSA-N 1 0 406.457 3.961 50 0 HHAARO COc1ccc(CN(C)C(=O)COC(=O)c2ccc(C[NH+]3CCCCC3)s2)cc1 ZINC000072312518 558837779 /nfs/dbraw/zinc/83/77/79/558837779.db2.gz JGHDPRNKJCBTDM-UHFFFAOYSA-N 1 0 416.543 3.558 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[N@@H+]3CCC[C@@H]3C2)c(F)c1 ZINC000019221087 558851835 /nfs/dbraw/zinc/85/18/35/558851835.db2.gz FONMVGHTTJLKOH-HXUWFJFHSA-N 1 0 406.505 3.967 50 0 HHAARO CCc1ccc(CN(CC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000033032750 558857004 /nfs/dbraw/zinc/85/70/04/558857004.db2.gz YPUCJWJWYCAVQC-UHFFFAOYSA-N 1 0 421.585 3.621 50 0 HHAARO C[NH+]1CCN(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=O)CC1 ZINC000019360058 558876086 /nfs/dbraw/zinc/87/60/86/558876086.db2.gz YXDCLHHQBVQHRM-LDADJPATSA-N 1 0 417.918 3.841 50 0 HHAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(SC)c2)CC1 ZINC000004669449 558877200 /nfs/dbraw/zinc/87/72/00/558877200.db2.gz GYHMCLLKWQRWRI-UHFFFAOYSA-N 1 0 424.636 3.590 50 0 HHAARO Clc1ccc(-n2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057328219 558888174 /nfs/dbraw/zinc/88/81/74/558888174.db2.gz ULZZIRRBCKJXNK-UHFFFAOYSA-N 1 0 404.905 3.791 50 0 HHAARO Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2C(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000004676263 558888638 /nfs/dbraw/zinc/88/86/38/558888638.db2.gz LNEDVKXDMWELJG-GBXCKJPGSA-N 1 0 419.569 3.930 50 0 HHAARO c1sc2nc(CN3CCOCC3)nc(NCC[NH+]3CCCC3)c2c1-c1ccccc1 ZINC000058017562 558895677 /nfs/dbraw/zinc/89/56/77/558895677.db2.gz OGDNVHPKMYNCMV-UHFFFAOYSA-N 1 0 423.586 3.698 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccc(OC)c2)CC1 ZINC000058149059 558902311 /nfs/dbraw/zinc/90/23/11/558902311.db2.gz CMVQYKZIXXYXLL-UHFFFAOYSA-N 1 0 404.514 3.716 50 0 HHAARO CC1CC[NH+]([C@H](CNC(=O)Nc2cccnc2-n2cccn2)c2cccs2)CC1 ZINC000058197548 558911153 /nfs/dbraw/zinc/91/11/53/558911153.db2.gz NIHVAVKVMLDUBV-GOSISDBHSA-N 1 0 410.547 3.924 50 0 HHAARO Cc1nc(-c2cccc(NC(=O)NC[C@@H]([C@@H]3CCOC3)[NH+]3CCCC3)c2)cs1 ZINC000058404618 558924395 /nfs/dbraw/zinc/92/43/95/558924395.db2.gz XIMUDQHOUHAGHM-XLIONFOSSA-N 1 0 400.548 3.741 50 0 HHAARO O=C(CCOc1cccc(Br)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058406526 558924536 /nfs/dbraw/zinc/92/45/36/558924536.db2.gz LDPSZFVENTVVEO-UHFFFAOYSA-N 1 0 409.368 3.989 50 0 HHAARO Cc1cc(C)cc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000064800141 558965711 /nfs/dbraw/zinc/96/57/11/558965711.db2.gz FABATEDPPSPYLM-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364505 558975615 /nfs/dbraw/zinc/97/56/15/558975615.db2.gz GJDXNAVYUBYURK-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO CCNc1nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc(C)[nH+]1 ZINC000067602027 558987837 /nfs/dbraw/zinc/98/78/37/558987837.db2.gz GFFRTQKELLTWEY-UHFFFAOYSA-N 1 0 401.514 3.846 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067603760 558988167 /nfs/dbraw/zinc/98/81/67/558988167.db2.gz MAIPPAGAELZIJC-UHFFFAOYSA-N 1 0 415.541 3.891 50 0 HHAARO COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)c(C)o2)cc1C ZINC000067755358 558992314 /nfs/dbraw/zinc/99/23/14/558992314.db2.gz FAXBDCSMOVGXQQ-FQEVSTJZSA-N 1 0 413.562 3.820 50 0 HHAARO FC(F)(F)c1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4nccs4)C3)CC2)c1 ZINC000067909760 558994677 /nfs/dbraw/zinc/99/46/77/558994677.db2.gz GHWXLXAEEMHUKF-GOSISDBHSA-N 1 0 410.509 3.949 50 0 HHAARO C[NH+](C)CCOc1cccc2c1c(NC(=O)N1CCCC1)nn2-c1ccc(F)cc1 ZINC000077538165 559008674 /nfs/dbraw/zinc/00/86/74/559008674.db2.gz DQJBEEJVIBTNNJ-UHFFFAOYSA-N 1 0 411.481 3.733 50 0 HHAARO O=S(=O)(NCC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(Cl)c1 ZINC000023127709 559015987 /nfs/dbraw/zinc/01/59/87/559015987.db2.gz QGIBKIGOBPAVLU-UHFFFAOYSA-N 1 0 402.944 3.731 50 0 HHAARO Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127548 559016061 /nfs/dbraw/zinc/01/60/61/559016061.db2.gz RMKDEBISULXAAC-UHFFFAOYSA-N 1 0 405.951 3.677 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Cc1ccccc1 ZINC000023196764 559032266 /nfs/dbraw/zinc/03/22/66/559032266.db2.gz NROVTCSZEPHYCG-LADGPHEKSA-N 1 0 410.558 3.927 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000033278756 559042287 /nfs/dbraw/zinc/04/22/87/559042287.db2.gz PTYJODYWUSMOOB-UHFFFAOYSA-N 1 0 415.921 3.909 50 0 HHAARO O=C(CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000095347284 559079726 /nfs/dbraw/zinc/07/97/26/559079726.db2.gz GJTHOXFOOJTJGT-OAQYLSRUSA-N 1 0 401.510 3.807 50 0 HHAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](C[C@H]2CCOC(C)(C)C2)CC3)c1 ZINC000095523146 559085641 /nfs/dbraw/zinc/08/56/41/559085641.db2.gz LQRBKGHHLAKVIX-FQEVSTJZSA-N 1 0 400.563 3.715 50 0 HHAARO CCn1c(C)cc(O)c([C@H](c2ccc(OC)c(OC)c2)[NH+]2CCC(C)CC2)c1=O ZINC000024022983 559187852 /nfs/dbraw/zinc/18/78/52/559187852.db2.gz CRMNTAUJXOZCFX-QFIPXVFZSA-N 1 0 400.519 3.721 50 0 HHAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@@]2(O)C(F)(F)F ZINC000033436060 559192490 /nfs/dbraw/zinc/19/24/90/559192490.db2.gz OSUFIZIKVFXQCL-OLBFVZFUSA-N 1 0 406.499 3.667 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936630 559211892 /nfs/dbraw/zinc/21/18/92/559211892.db2.gz BMNVEUGRYZLPHA-SFHVURJKSA-N 1 0 415.603 3.884 50 0 HHAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000006554682 560206126 /nfs/dbraw/zinc/20/61/26/560206126.db2.gz ZDNXZGYMXMNADE-QDSKXPNFSA-N 1 0 412.530 3.663 50 0 biogenic,in-vitro HHAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000017331666 560709388 /nfs/dbraw/zinc/70/93/88/560709388.db2.gz NDQILCLJDROEMA-UHFFFAOYSA-N 1 0 414.449 3.528 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982502 560858675 /nfs/dbraw/zinc/85/86/75/560858675.db2.gz FCTWSSQCXSTXJF-LEWJYISDSA-N 1 0 402.922 3.733 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983613 560859203 /nfs/dbraw/zinc/85/92/03/560859203.db2.gz QTKJEPAJRPVJCC-NHCUHLMSSA-N 1 0 402.922 3.733 50 0 HHAARO O=S(=O)(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1Br ZINC000047032996 560879883 /nfs/dbraw/zinc/87/98/83/560879883.db2.gz VHOBPICWSKGRBL-KRWDZBQOSA-N 1 0 409.349 3.565 50 0 HHAARO COc1ccc(C[NH2+]CC[C@H]2CCC(=O)N2CC2(c3ccccc3)CCOCC2)cc1 ZINC000012218056 560892407 /nfs/dbraw/zinc/89/24/07/560892407.db2.gz NRARCKVEBDQYNZ-HSZRJFAPSA-N 1 0 422.569 3.914 50 0 HHAARO C[C@@H]1CN(c2ccccc2NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@@H](C)O1 ZINC000047807499 568431239 /nfs/dbraw/zinc/43/12/39/568431239.db2.gz UNEQDSMLZYIGND-MDZRGWNJSA-N 1 0 402.564 3.786 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000047852354 568431454 /nfs/dbraw/zinc/43/14/54/568431454.db2.gz RYYPTAAJTCLKNP-ZDUSSCGKSA-N 1 0 401.320 3.592 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000048221537 568432463 /nfs/dbraw/zinc/43/24/63/568432463.db2.gz HFTHEDRJGSYDLB-OAQYLSRUSA-N 1 0 406.574 3.998 50 0 HHAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000048374002 568442329 /nfs/dbraw/zinc/44/23/29/568442329.db2.gz CKZGEUCGLQACRO-ZRCGQRJVSA-N 1 0 413.606 3.675 50 0 HHAARO O=C(NC[C@H]1CCCO1)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000000778770 568473818 /nfs/dbraw/zinc/47/38/18/568473818.db2.gz ALMCLYYSAPXNEO-XMMPIXPASA-N 1 0 408.542 3.773 50 0 HHAARO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000390827947 568491535 /nfs/dbraw/zinc/49/15/35/568491535.db2.gz MIOSFPFSZMLAKQ-SGKWCMOWSA-N 1 0 409.574 3.842 50 0 HHAARO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000033312351 568513703 /nfs/dbraw/zinc/51/37/03/568513703.db2.gz ILWGKUCXWGLHAB-HNNXBMFYSA-N 1 0 402.963 3.753 50 0 HHAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020153965 568590840 /nfs/dbraw/zinc/59/08/40/568590840.db2.gz KEQPIEDNZOIIPG-UHFFFAOYSA-N 1 0 406.452 3.645 50 0 HHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1csc2c1CCCCC2 ZINC000020379944 568602460 /nfs/dbraw/zinc/60/24/60/568602460.db2.gz ITOSMRHQVXSDLX-UHFFFAOYSA-N 1 0 411.615 3.955 50 0 HHAARO COc1ccc(-c2cc(NC(=O)[C@H](C)C[NH+]3CCOCC3)ccc2OC(F)F)cc1 ZINC000095453094 568615693 /nfs/dbraw/zinc/61/56/93/568615693.db2.gz UVBYIWLAVDXAMS-OAHLLOKOSA-N 1 0 420.456 3.870 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000020728725 568640652 /nfs/dbraw/zinc/64/06/52/568640652.db2.gz SLSNKLFXMZPEMH-ALDSOSFCSA-N 1 0 407.539 3.986 50 0 HHAARO Cc1c(C(=O)Nc2c(F)cccc2F)sc2nc(C)nc(N3CC[NH+](C)CC3)c12 ZINC000020753810 568641520 /nfs/dbraw/zinc/64/15/20/568641520.db2.gz DCZWRYWJRDVCQY-UHFFFAOYSA-N 1 0 417.485 3.590 50 0 HHAARO Cc1nn(-c2cccc(F)c2)c2nc(C)cc(C(=O)NCCC[NH+]3CCCCC3)c12 ZINC000020943295 568653012 /nfs/dbraw/zinc/65/30/12/568653012.db2.gz XDFOVYQJJDPIBL-UHFFFAOYSA-N 1 0 409.509 3.782 50 0 HHAARO Cc1cccc(-n2ncc(C(=O)NCCC[NH+]3CCCCCC3)c2-n2cccc2)c1 ZINC000020980114 568654457 /nfs/dbraw/zinc/65/44/57/568654457.db2.gz OMBSXLHEFIURGG-UHFFFAOYSA-N 1 0 405.546 3.967 50 0 HHAARO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3C)c2)c2ccc(F)cc2C1 ZINC000225614908 568657146 /nfs/dbraw/zinc/65/71/46/568657146.db2.gz VUYBGEVWIIOPSX-XMMPIXPASA-N 1 0 406.505 3.962 50 0 HHAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(SC)cc2)[NH+]2CCCCC2)c1=O ZINC000021097952 568665374 /nfs/dbraw/zinc/66/53/74/568665374.db2.gz OPJJFSVMRABEEA-OAQYLSRUSA-N 1 0 402.560 3.806 50 0 HHAARO CCCC[N@H+](CC)CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000021163757 568674720 /nfs/dbraw/zinc/67/47/20/568674720.db2.gz ADYQXHCATCCDLG-UHFFFAOYSA-N 1 0 403.596 3.536 50 0 HHAARO O=C(O[C@H]1CC[N@H+](CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000096026672 568686769 /nfs/dbraw/zinc/68/67/69/568686769.db2.gz GPQNKPHQEHQXEP-DEOSSOPVSA-N 1 0 401.506 3.783 50 0 HHAARO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000229764607 568715147 /nfs/dbraw/zinc/71/51/47/568715147.db2.gz CKZGEUCGLQACRO-MZKRTTBSSA-N 1 0 413.606 3.675 50 0 HHAARO Cc1c(C(=O)Nc2ccc(F)cc2Cl)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000021636578 568725453 /nfs/dbraw/zinc/72/54/53/568725453.db2.gz BLTVAXNFJFWUCP-UHFFFAOYSA-N 1 0 419.913 3.796 50 0 HHAARO CCOC(=O)c1nc2onc(C)c2c(NCC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000021646291 568728127 /nfs/dbraw/zinc/72/81/27/568728127.db2.gz HSGHJRLYDPSMFP-UHFFFAOYSA-N 1 0 423.517 3.735 50 0 HHAARO Cn1cc([C@@H](CNS(=O)(=O)c2cccc3ccccc32)[NH+](C)C)c2ccccc21 ZINC000021696128 568739708 /nfs/dbraw/zinc/73/97/08/568739708.db2.gz IXZHUVYHYQRUBI-JOCHJYFZSA-N 1 0 407.539 3.913 50 0 HHAARO Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OCCC[NH+](C)C)c3n2)cc1 ZINC000021789049 568752931 /nfs/dbraw/zinc/75/29/31/568752931.db2.gz JIKCKVNLXVZBLX-UHFFFAOYSA-N 1 0 406.408 3.832 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F ZINC000021789032 568753018 /nfs/dbraw/zinc/75/30/18/568753018.db2.gz SFZLZHFKOGNICI-UHFFFAOYSA-N 1 0 412.437 3.975 50 0 HHAARO C[C@H](CC[NH+](C)C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000253609932 568755009 /nfs/dbraw/zinc/75/50/09/568755009.db2.gz HBDQZJAFAVGPSS-AJTRQSMSSA-N 1 0 407.639 3.536 50 0 HHAARO CCCn1cc([C@@H]2C[C@H]3CN(Cc4ccc(OC)cc4)C(=O)[C@]34CCC[N@H+]24)c(C)n1 ZINC000012458541 568756376 /nfs/dbraw/zinc/75/63/76/568756376.db2.gz PLTDOLMVSPSFJU-APTRMMRNSA-N 1 0 408.546 3.548 50 0 HHAARO Cc1ccc(CNc2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021929552 568761616 /nfs/dbraw/zinc/76/16/16/568761616.db2.gz XKYQYSOEHPDXGS-UHFFFAOYSA-N 1 0 419.577 3.739 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)cc2)C1 ZINC000052678881 568775605 /nfs/dbraw/zinc/77/56/05/568775605.db2.gz TVXHKZLKOJHSJY-HDICACEKSA-N 1 0 411.521 3.583 50 0 HHAARO c1c(-c2ccc3c(c2)OCCO3)n2c([n+]1-c1ccc3c(c1)OCCO3)CCCCC2 ZINC000002684332 568800910 /nfs/dbraw/zinc/80/09/10/568800910.db2.gz JWSZQXSCBIZFGD-UHFFFAOYSA-N 1 0 405.474 3.701 50 0 HHAARO CCN(CC)c1ccc2c(cc1=O)[C@@H]([NH2+]C)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000002944425 568819792 /nfs/dbraw/zinc/81/97/92/568819792.db2.gz KHZZMTAJRIDFIB-SFHVURJKSA-N 1 0 412.530 3.793 50 0 biogenic HHAARO O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000056896080 568820920 /nfs/dbraw/zinc/82/09/20/568820920.db2.gz CPKSMNLNWMREBL-QHCPKHFHSA-N 1 0 404.489 3.514 50 0 HHAARO CCOc1ccc(C2(CNC(=O)NC[C@@H](C)C[NH+]3CCCCC3)CCOCC2)cc1 ZINC000056952787 568822204 /nfs/dbraw/zinc/82/22/04/568822204.db2.gz ZKHAKBCKYWAIBG-HXUWFJFHSA-N 1 0 417.594 3.555 50 0 HHAARO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 ZINC000057315521 568826915 /nfs/dbraw/zinc/82/69/15/568826915.db2.gz HLYPTPVLWFSIRW-IBGZPJMESA-N 1 0 401.510 3.948 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc3c(C)nn(C)c3nc2C)[NH+]2CCCCC2)cc1 ZINC000029755183 568828848 /nfs/dbraw/zinc/82/88/48/568828848.db2.gz QPMLLUUNWOCVIN-JOCHJYFZSA-N 1 0 421.545 3.551 50 0 HHAARO CC[C@H](C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000005955750 568832179 /nfs/dbraw/zinc/83/21/79/568832179.db2.gz VXQNQPUDZRPCMP-HNNXBMFYSA-N 1 0 423.966 3.882 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029837094 568837070 /nfs/dbraw/zinc/83/70/70/568837070.db2.gz CGPBJJNLZWCLAR-UXHICEINSA-N 1 0 419.928 3.653 50 0 HHAARO CC[C@H](C)c1ccc([C@@H]([NH2+]CC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455982 568837830 /nfs/dbraw/zinc/83/78/30/568837830.db2.gz WCBDYUKMTXXBEI-CVDCTZTESA-N 1 0 409.578 3.626 50 0 HHAARO C[C@H]1C[NH+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000012544218 568849490 /nfs/dbraw/zinc/84/94/90/568849490.db2.gz DUUNTDYLEABOFZ-ROUUACIJSA-N 1 0 404.514 3.526 50 0 HHAARO COc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000003323920 568854597 /nfs/dbraw/zinc/85/45/97/568854597.db2.gz USUVCJLABUOKFJ-NRFANRHFSA-N 1 0 423.513 3.912 50 0 HHAARO COc1ccc([C@@H]2[NH2+]CC3(CCCC3)c3cc4c(cc32)OCCO4)c(OC)c1OC ZINC000003154373 568858679 /nfs/dbraw/zinc/85/86/79/568858679.db2.gz VLWMWNBLVLEQJO-NRFANRHFSA-N 1 0 411.498 3.988 50 0 HHAARO Cc1cccn2cc(CN3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CCC3=O)nc12 ZINC000299755226 568872616 /nfs/dbraw/zinc/87/26/16/568872616.db2.gz BRHMJMTUKXZIBL-RMKNXTFCSA-N 1 0 422.916 3.570 50 0 HHAARO Cc1cc2c(C)nc(N3CCC([NH2+]C[C@H](C)Oc4cccnc4)CC3)nc2cc1F ZINC000299762064 568873292 /nfs/dbraw/zinc/87/32/92/568873292.db2.gz VKBWWMVCRDJBHG-INIZCTEOSA-N 1 0 409.509 3.807 50 0 HHAARO CSc1ccc2cc(C[NH2+]Cc3ccc4c(c3)OCO4)c(N3CCOCC3)nc2c1 ZINC000299766289 568873751 /nfs/dbraw/zinc/87/37/51/568873751.db2.gz MYBSPXXVNFIFNG-UHFFFAOYSA-N 1 0 423.538 3.812 50 0 HHAARO Cc1nnc(SCCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)s1 ZINC000299786723 568875543 /nfs/dbraw/zinc/87/55/43/568875543.db2.gz PSVPPNPRENZEJN-KSZLIROESA-N 1 0 402.589 3.671 50 0 HHAARO COc1ccc2cc(C[NH2+]CCc3ccc(F)cc3)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000299796125 568876326 /nfs/dbraw/zinc/87/63/26/568876326.db2.gz NKTAIXLYAMSGHJ-LJQANCHMSA-N 1 0 423.532 3.924 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1cc(Br)ccc1F ZINC000031239436 568920259 /nfs/dbraw/zinc/92/02/59/568920259.db2.gz QLWVXYBRQGLBJP-UHFFFAOYSA-N 1 0 420.326 3.530 50 0 HHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@@]21O ZINC000004046185 568936158 /nfs/dbraw/zinc/93/61/58/568936158.db2.gz PXZKKURWIUHBFW-XVGFKIFBSA-N 1 0 405.579 3.745 50 0 biogenic HHAARO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000012765490 568948050 /nfs/dbraw/zinc/94/80/50/568948050.db2.gz APKFEBJYYSNGKU-OAQYLSRUSA-N 1 0 421.928 3.554 50 0 HHAARO COc1ccc(Br)cc1C[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000012775709 568954486 /nfs/dbraw/zinc/95/44/86/568954486.db2.gz SYRFQOOOCXHFQR-UHFFFAOYSA-N 1 0 403.320 3.869 50 0 HHAARO C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000084651523 568954591 /nfs/dbraw/zinc/95/45/91/568954591.db2.gz SAMVUGKOZGDOOP-AWEZNQCLSA-N 1 0 406.523 3.816 50 0 HHAARO Clc1cc(C[NH2+]Cc2ccccc2CN2CCOCC2)cc2c1OCCCO2 ZINC000007985803 568964577 /nfs/dbraw/zinc/96/45/77/568964577.db2.gz WCEUSISGWIVVLL-UHFFFAOYSA-N 1 0 402.922 3.623 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681523 568968092 /nfs/dbraw/zinc/96/80/92/568968092.db2.gz NTIYNTFPUYGURP-GOSISDBHSA-N 1 0 409.509 3.796 50 0 HHAARO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107829 568991949 /nfs/dbraw/zinc/99/19/49/568991949.db2.gz MWHAEIYCMQZNGZ-GHTZIAJQSA-N 1 0 424.593 3.646 50 0 biogenic HHAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000015773659 568998885 /nfs/dbraw/zinc/99/88/85/568998885.db2.gz KXBZXOZAOWUUQP-DEOSSOPVSA-N 1 0 419.569 3.691 50 0 HHAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015773730 568998892 /nfs/dbraw/zinc/99/88/92/568998892.db2.gz CTJFRZGLMFWVQR-QHCPKHFHSA-N 1 0 423.532 3.522 50 0 HHAARO O=C(COc1ccccc1)Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000085878210 569009692 /nfs/dbraw/zinc/00/96/92/569009692.db2.gz SLBMVUAAXXRAMN-NZQKXSOJSA-N 1 0 421.541 3.698 50 0 biogenic HHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1 ZINC000012916056 569022555 /nfs/dbraw/zinc/02/25/55/569022555.db2.gz KIORWCJXOFOOLA-UHFFFAOYSA-N 1 0 420.509 3.523 50 0 HHAARO CC1CC[NH+](Cc2ccc(CNC(=O)N3CCN(c4ccccc4)CC3)cc2)CC1 ZINC000026381845 569031657 /nfs/dbraw/zinc/03/16/57/569031657.db2.gz WHMVFIJHYNOGBX-UHFFFAOYSA-N 1 0 406.574 3.950 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000035399190 569035284 /nfs/dbraw/zinc/03/52/84/569035284.db2.gz ZCVFIAICCPPNNS-LJQANCHMSA-N 1 0 406.615 3.512 50 0 HHAARO CC(C)[NH+]1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)CC1 ZINC000013009005 569049908 /nfs/dbraw/zinc/04/99/08/569049908.db2.gz NDMGOHFITBBKEV-UHFFFAOYSA-N 1 0 413.522 3.738 50 0 HHAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)c1 ZINC000239672631 569054477 /nfs/dbraw/zinc/05/44/77/569054477.db2.gz BUIGRYTWMJQJQY-TXPKVOOTSA-N 1 0 418.559 3.531 50 0 HHAARO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000241930298 569054996 /nfs/dbraw/zinc/05/49/96/569054996.db2.gz UHKWHLBHIMFQGW-AUSIDOKSSA-N 1 0 423.557 3.563 50 0 HHAARO C[C@H](C(=O)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)[NH+]1CCCCCC1 ZINC000089448647 569060547 /nfs/dbraw/zinc/06/05/47/569060547.db2.gz PIEZLAUTRCTMJL-MSOLQXFVSA-N 1 0 404.555 3.851 50 0 HHAARO CCn1cc(C[NH+]2CCC(C(=O)NC[C@@H]3CCCO3)CC2)c2cc(Cl)ccc21 ZINC000064669724 569078852 /nfs/dbraw/zinc/07/88/52/569078852.db2.gz IWBOLJYGECJZPZ-IBGZPJMESA-N 1 0 403.954 3.822 50 0 HHAARO CC1CC[NH+](CCNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)CC1 ZINC000064746583 569088505 /nfs/dbraw/zinc/08/85/05/569088505.db2.gz LHPJXSKGNSVVLG-UHFFFAOYSA-N 1 0 411.550 3.579 50 0 HHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096036 569090035 /nfs/dbraw/zinc/09/00/35/569090035.db2.gz LZJPQKCSYHUARK-HXUWFJFHSA-N 1 0 419.493 3.549 50 0 HHAARO CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(CC[NH+](C)C)C(=O)C(C)(C)C ZINC000006696061 569091708 /nfs/dbraw/zinc/09/17/08/569091708.db2.gz UMWKDEXFOIDISP-UHFFFAOYSA-N 1 0 416.610 3.818 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146329 569098579 /nfs/dbraw/zinc/09/85/79/569098579.db2.gz LPXHQSOXPKUHHD-SFTDATJTSA-N 1 0 420.912 3.872 50 0 HHAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145909 569098681 /nfs/dbraw/zinc/09/86/81/569098681.db2.gz WYVCMRDEPCENNA-VXKWHMMOSA-N 1 0 414.521 3.997 50 0 HHAARO CCC[NH+](CCC)C[C@H](O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000006720714 569098905 /nfs/dbraw/zinc/09/89/05/569098905.db2.gz WAARBNAKZHQIEZ-NRFANRHFSA-N 1 0 404.576 3.673 50 0 HHAARO CCn1c(=O)cc(SCC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc21 ZINC000006736737 569104480 /nfs/dbraw/zinc/10/44/80/569104480.db2.gz GMVUONGHKMZGAY-UHFFFAOYSA-N 1 0 413.587 3.590 50 0 HHAARO CC[C@@H](C(=O)NCCC[NH+](CC)CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799259 569126336 /nfs/dbraw/zinc/12/63/36/569126336.db2.gz DOSFBPWLPLYMRN-KRWDZBQOSA-N 1 0 414.575 3.719 50 0 HHAARO CCOc1ccc(CN(Cc2nc(C(=O)NC[C@H]3CCCO3)co2)[C@@H](C)CC)cc1 ZINC000169680301 569126756 /nfs/dbraw/zinc/12/67/56/569126756.db2.gz HOTRYOCWFBYLBN-FXAWDEMLSA-N 1 0 415.534 3.783 50 0 HHAARO O=C(CCCn1sc2ccccc2c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006800185 569126893 /nfs/dbraw/zinc/12/68/93/569126893.db2.gz GWCHCCHFXACPJM-UHFFFAOYSA-N 1 0 409.555 3.624 50 0 HHAARO CCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340736 569141500 /nfs/dbraw/zinc/14/15/00/569141500.db2.gz BYCNEWRDZBYGOB-HXUWFJFHSA-N 1 0 416.997 3.875 50 0 HHAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3F)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341829 569141626 /nfs/dbraw/zinc/14/16/26/569141626.db2.gz OQHGQKUKNJQEQG-NRFANRHFSA-N 1 0 423.488 3.964 50 0 HHAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1Cc1ccccc1F ZINC000036340396 569141631 /nfs/dbraw/zinc/14/16/31/569141631.db2.gz XNKYRGVFBSQGRC-GOSISDBHSA-N 1 0 420.532 3.685 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2cc(C)ccc2C)CC1 ZINC000036344616 569142667 /nfs/dbraw/zinc/14/26/67/569142667.db2.gz AJHOMZQKLJJABD-VWLOTQADSA-N 1 0 418.585 3.927 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2F)CC1 ZINC000036345468 569143231 /nfs/dbraw/zinc/14/32/31/569143231.db2.gz CIOABFLGNULQSL-XMMPIXPASA-N 1 0 422.548 3.758 50 0 HHAARO CCOC(=O)Cc1ccc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc1 ZINC000006877205 569163812 /nfs/dbraw/zinc/16/38/12/569163812.db2.gz FTDOWBVXUBEKKY-UHFFFAOYSA-N 1 0 401.551 3.768 50 0 HHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[NH+]1CCCCCC1)C(=O)c1cccnc1O2 ZINC000006878075 569164965 /nfs/dbraw/zinc/16/49/65/569164965.db2.gz HBPMVLFHBXVGAX-UHFFFAOYSA-N 1 0 422.529 3.525 50 0 HHAARO O=C(NCCC[NH+]1CCCCCC1)c1csc(-c2ccnc(N3CCCC3)c2)n1 ZINC000065062497 569166620 /nfs/dbraw/zinc/16/66/20/569166620.db2.gz UPYVAHMFINYZMA-UHFFFAOYSA-N 1 0 413.591 3.801 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3C(=O)CSc4ccccc43)cc2)C1 ZINC000036390940 569166648 /nfs/dbraw/zinc/16/66/48/569166648.db2.gz KKKUBGVROLMNTJ-GOSISDBHSA-N 1 0 423.582 3.674 50 0 HHAARO Cc1ccccc1Oc1nccnc1SCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000065111224 569178799 /nfs/dbraw/zinc/17/87/99/569178799.db2.gz WGQGNQYBEYPAHJ-MRXNPFEDSA-N 1 0 400.548 3.518 50 0 HHAARO Cc1ccc(-n2ncc(C(=O)NCCc3ccsc3)c2C2CC[NH2+]CC2)cc1C ZINC000007000369 569197905 /nfs/dbraw/zinc/19/79/05/569197905.db2.gz BEOFJYQQDWMXAZ-UHFFFAOYSA-N 1 0 408.571 3.990 50 0 HHAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1 ZINC000007030622 569201651 /nfs/dbraw/zinc/20/16/51/569201651.db2.gz LRHSQZGSKYBTQM-OAQYLSRUSA-N 1 0 406.453 3.781 50 0 HHAARO CC(C)(C)OC(=O)N1CCN(C(=O)c2cc3c(s2)C[N@@H+](C2CCCC2)C3)CC1 ZINC000065238952 569203120 /nfs/dbraw/zinc/20/31/20/569203120.db2.gz ZDXJMJXOZGJBHI-UHFFFAOYSA-N 1 0 405.564 3.699 50 0 HHAARO COc1ccc(NC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)cc1OC ZINC000065255924 569208005 /nfs/dbraw/zinc/20/80/05/569208005.db2.gz DNGRDEARFBJROK-HXUWFJFHSA-N 1 0 418.497 3.502 50 0 HHAARO O=C(NCc1ccc(Cl)cc1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256117 569208177 /nfs/dbraw/zinc/20/81/77/569208177.db2.gz NGWYIFUFURMBCE-OAQYLSRUSA-N 1 0 406.917 3.816 50 0 HHAARO COc1ccc(NC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)cc1OC ZINC000065256092 569208249 /nfs/dbraw/zinc/20/82/49/569208249.db2.gz NIQUEUYBZRQVQR-FQEVSTJZSA-N 1 0 418.497 3.502 50 0 HHAARO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1 ZINC000065257018 569208567 /nfs/dbraw/zinc/20/85/67/569208567.db2.gz UMZDBIHBAWNKRN-NRFANRHFSA-N 1 0 420.488 3.850 50 0 HHAARO O=C(c1ccn2c(c1)nnc2-c1ccc(F)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065296223 569218920 /nfs/dbraw/zinc/21/89/20/569218920.db2.gz VTTVVECKAPYEIU-UHFFFAOYSA-N 1 0 407.493 3.626 50 0 HHAARO COc1cc(C)c(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1OC ZINC000170599575 569242879 /nfs/dbraw/zinc/24/28/79/569242879.db2.gz BHTGGWLVFILRJG-INIZCTEOSA-N 1 0 408.420 3.926 50 0 HHAARO COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(C[NH+]2CCCCC2)cc1=O ZINC000016974413 569269645 /nfs/dbraw/zinc/26/96/45/569269645.db2.gz OYHBJMLREIPNOD-UHFFFAOYSA-N 1 0 423.435 3.500 50 0 HHAARO Cc1cc(C[N@@H+](C)Cc2cc(=O)n3ccsc3n2)cc(C)c1OCC(F)(F)F ZINC000054394290 569277634 /nfs/dbraw/zinc/27/76/34/569277634.db2.gz SBPBGLVHBONCAB-UHFFFAOYSA-N 1 0 411.449 3.946 50 0 HHAARO O=C1N[C@H](Cc2ccccc2)C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000252444280 569285920 /nfs/dbraw/zinc/28/59/20/569285920.db2.gz NSCRMHWHGBMGRC-XLIONFOSSA-N 1 0 423.563 3.878 50 0 HHAARO O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252474621 569288022 /nfs/dbraw/zinc/28/80/22/569288022.db2.gz IJVQQXZDUWCJLA-GOTSBHOMSA-N 1 0 416.512 3.602 50 0 HHAARO COC[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537339 569293103 /nfs/dbraw/zinc/29/31/03/569293103.db2.gz KYRLKKDTSBXEHV-HBMCJLEFSA-N 1 0 408.464 3.618 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000198026830 569318647 /nfs/dbraw/zinc/31/86/47/569318647.db2.gz RVCSGXJZYCBWOW-HPQBIULASA-N 1 0 412.599 3.973 50 0 HHAARO O=C(C1CCCC1)N1CCC2(CC1)C[C@H]([NH+]1CCN(c3ccccc3)CC1)CCO2 ZINC000581820115 569320990 /nfs/dbraw/zinc/32/09/90/569320990.db2.gz RRYKIFDPYYVJPD-HSZRJFAPSA-N 1 0 411.590 3.539 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000002294139 569369361 /nfs/dbraw/zinc/36/93/61/569369361.db2.gz ARGLLOMHEHTLDT-LLVKDONJSA-N 1 0 408.296 3.530 50 0 HHAARO COc1c(Br)cc(Br)cc1CNC1CC[NH+](C2CC2)CC1 ZINC000055043146 569376280 /nfs/dbraw/zinc/37/62/80/569376280.db2.gz OUQVALYTFYNQJC-UHFFFAOYSA-N 1 0 418.173 3.937 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000002349080 569380583 /nfs/dbraw/zinc/38/05/83/569380583.db2.gz PLFMRJWYEHIVPE-UHFFFAOYSA-N 1 0 409.461 3.871 50 0 HHAARO Cc1ccc(NC(=O)C2CC[NH+](CCC(=O)Nc3ccc4c(c3)CCC4)CC2)nc1 ZINC000078726167 569420043 /nfs/dbraw/zinc/42/00/43/569420043.db2.gz JJJVVIZVIMYJOH-UHFFFAOYSA-N 1 0 406.530 3.558 50 0 HHAARO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H](C)C1 ZINC000078969699 569422495 /nfs/dbraw/zinc/42/24/95/569422495.db2.gz JXZWVEUXGSBXNL-QUCCMNQESA-N 1 0 411.594 3.770 50 0 HHAARO CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008583663 571082680 /nfs/dbraw/zinc/08/26/80/571082680.db2.gz BNEGSXFLQWONTO-JOCHJYFZSA-N 1 0 420.509 3.997 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc12 ZINC000427586289 571131804 /nfs/dbraw/zinc/13/18/04/571131804.db2.gz CWGFCDROYMSBTK-PXAZEXFGSA-N 1 0 402.951 3.836 50 0 HHAARO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008892886 571142861 /nfs/dbraw/zinc/14/28/61/571142861.db2.gz RQZSBVWIXSNQNZ-LJQANCHMSA-N 1 0 419.978 3.751 50 0 HHAARO O=C(Nc1cc(Cl)ccc1N1CCOCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000040103431 571163846 /nfs/dbraw/zinc/16/38/46/571163846.db2.gz XJLLNKMIHPANSR-LJQANCHMSA-N 1 0 414.937 3.573 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328864 571225562 /nfs/dbraw/zinc/22/55/62/571225562.db2.gz QHTQETRUAUTZJL-KNQAVFIVSA-N 1 0 401.526 3.500 50 0 HHAARO O=C1c2cccn2CC[C@H]1[C@@H](O)c1cc[n+](Cc2ccccc2Br)cc1 ZINC000009498891 571263230 /nfs/dbraw/zinc/26/32/30/571263230.db2.gz AOIWHXZUIXYBOK-PXNSSMCTSA-N 1 0 412.307 3.523 50 0 HHAARO CSc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)c1 ZINC000010333537 571300574 /nfs/dbraw/zinc/30/05/74/571300574.db2.gz BEHSGJIFTSJCNN-NRFANRHFSA-N 1 0 407.539 3.919 50 0 HHAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccc(F)cc1 ZINC000010334042 571300695 /nfs/dbraw/zinc/30/06/95/571300695.db2.gz LIHAAQXEJVZOQS-QFIPXVFZSA-N 1 0 405.473 3.871 50 0 HHAARO Cc1ccc2cc(C(=O)Nc3ccccc3C[N@@H+]3CCC[C@@H](C(N)=O)C3)c(C)nc2c1 ZINC000071862938 571303766 /nfs/dbraw/zinc/30/37/66/571303766.db2.gz HDLQMSQXOINFDY-HXUWFJFHSA-N 1 0 416.525 3.801 50 0 HHAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cc(OC)cc(OC)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000011843554 962202137 /nfs/dbraw/zinc/20/21/37/962202137.db2.gz XFEZRRZMDPHHNK-OWSXEPHWSA-N 1 0 408.498 3.655 50 0 HHAARO Cc1c([C@H](C)NC(=O)C[NH+]2CCC(c3ccccc3)CC2)cnn1-c1ccccn1 ZINC000011936825 962212070 /nfs/dbraw/zinc/21/20/70/962212070.db2.gz WKLYBYOSLAMPHN-SFHVURJKSA-N 1 0 403.530 3.633 50 0 HHAARO COc1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)cc(OC)c1 ZINC000012004144 962221653 /nfs/dbraw/zinc/22/16/53/962221653.db2.gz VANOVDHETJXVEQ-HSZRJFAPSA-N 1 0 408.542 3.665 50 0 HHAARO CCn1ncc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)c1C ZINC000012074483 962233538 /nfs/dbraw/zinc/23/35/38/962233538.db2.gz NWWCJIPIUALKEL-UHFFFAOYSA-N 1 0 410.562 3.881 50 0 HHAARO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)sc2ncnc(NCc3ccco3)c12 ZINC000012097217 962238573 /nfs/dbraw/zinc/23/85/73/962238573.db2.gz AUDCXPPTAAWESO-HNNXBMFYSA-N 1 0 413.547 3.619 50 0 HHAARO O=C(NC1CC1)c1cn(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)nn1 ZINC000012150243 962246407 /nfs/dbraw/zinc/24/64/07/962246407.db2.gz JETSTZIZORMFFP-UHFFFAOYSA-N 1 0 417.513 3.800 50 0 HHAARO Cc1cc(C(=O)NCc2nnc3n2CC[N@@H+](Cc2ccc(C(C)C)cc2)CC3)c(C)o1 ZINC000012183390 962250082 /nfs/dbraw/zinc/25/00/82/962250082.db2.gz PSIJCWKREJNALJ-UHFFFAOYSA-N 1 0 421.545 3.600 50 0 HHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000012434488 962279559 /nfs/dbraw/zinc/27/95/59/962279559.db2.gz VQZVDDPZASIRKT-NRFANRHFSA-N 1 0 409.530 3.566 50 0 HHAARO Cc1c(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)[nH]c2ccc(Cl)cc12 ZINC000012456355 962282896 /nfs/dbraw/zinc/28/28/96/962282896.db2.gz JFFMXSWFYFCALP-UHFFFAOYSA-N 1 0 403.954 3.981 50 0 HHAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(C)c(O)c(C)c4)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000012594052 962299628 /nfs/dbraw/zinc/29/96/28/962299628.db2.gz PCKFUEHLWXJVHM-XTJBDQBJSA-N 1 0 406.526 3.956 50 0 HHAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2CCc1ccccc1 ZINC000014747695 962568077 /nfs/dbraw/zinc/56/80/77/962568077.db2.gz CPJNXUFMJMLBSV-UHFFFAOYSA-N 1 0 405.542 3.937 50 0 HHAARO O=C1NC(=O)[C@](CCc2ccccc2)(C2CC[NH+](CCCc3ccccc3)CC2)N1 ZINC000014880706 962597728 /nfs/dbraw/zinc/59/77/28/962597728.db2.gz ZDOINIBUFSKHFJ-VWLOTQADSA-N 1 0 405.542 3.542 50 0 HHAARO O=C1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000014991516 962619391 /nfs/dbraw/zinc/61/93/91/962619391.db2.gz VMWLSQVDCYAHMB-HXUWFJFHSA-N 1 0 417.475 3.807 50 0 HHAARO COc1ccc(NC(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)cc1Cl ZINC000015078233 962651606 /nfs/dbraw/zinc/65/16/06/962651606.db2.gz WRUKRBKAGSRKIM-SFHVURJKSA-N 1 0 402.926 3.914 50 0 HHAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794472 963374960 /nfs/dbraw/zinc/37/49/60/963374960.db2.gz PCMMFBHSYMOATD-QFIPXVFZSA-N 1 0 404.558 3.963 50 0 HHAARO Cn1cc(CN2CCC[N@H+](Cc3cccs3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019836699 963375110 /nfs/dbraw/zinc/37/51/10/963375110.db2.gz BCYPYDFMIXCZKL-UHFFFAOYSA-N 1 0 424.570 3.628 50 0 HHAARO COc1ccc2c(c1)C=C(CN1CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C1)CO2 ZINC000020780722 963395357 /nfs/dbraw/zinc/39/53/57/963395357.db2.gz ULGWQMOIDSHDAS-DEOSSOPVSA-N 1 0 419.569 3.758 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1OC ZINC000020999161 963410868 /nfs/dbraw/zinc/41/08/68/963410868.db2.gz ISELDSYKXJQDAY-GOSISDBHSA-N 1 0 420.985 3.538 50 0 HHAARO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000022312753 963632333 /nfs/dbraw/zinc/63/23/33/963632333.db2.gz QMESPOBNCNYCAP-JTPHSUOKSA-N 1 0 409.555 3.841 50 0 HHAARO C[N@@H+](Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O)C[C@H](O)c1ccccc1 ZINC000023129128 963772231 /nfs/dbraw/zinc/77/22/31/963772231.db2.gz TWPQOYFHDOVDEM-DEOSSOPVSA-N 1 0 417.484 3.749 50 0 HHAARO Cn1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)c(-c2ccccc2)n1 ZINC000023145154 963774859 /nfs/dbraw/zinc/77/48/59/963774859.db2.gz UQECSUXYMZJBMK-VWLOTQADSA-N 1 0 418.585 3.589 50 0 HHAARO Cc1cccc(Cc2nnc(CCC(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)o2)c1 ZINC000023153542 963775830 /nfs/dbraw/zinc/77/58/30/963775830.db2.gz XWECUWZDZLZHKH-QFIPXVFZSA-N 1 0 418.541 3.682 50 0 HHAARO Cc1ccc2nc(OCc3ccccc3C)c(C[NH2+]CCN3CCOCC3)cc2c1 ZINC000023581169 963855815 /nfs/dbraw/zinc/85/58/15/963855815.db2.gz ZOUUPNCQSANVQW-UHFFFAOYSA-N 1 0 405.542 3.852 50 0 HHAARO COCCN(Cc1ccc2c(c1)CCO2)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055270775 965800646 /nfs/dbraw/zinc/80/06/46/965800646.db2.gz WYGWRAMQGJSZSE-JOCHJYFZSA-N 1 0 420.597 3.949 50 0 HHAARO C[C@H]1C[N@H+](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000039399477 966491960 /nfs/dbraw/zinc/49/19/60/966491960.db2.gz AHEOTJSPZQIZCU-UGKGYDQZSA-N 1 0 406.526 3.781 50 0 HHAARO Cn1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c(-c2ccccc2)n1 ZINC000039532076 966497544 /nfs/dbraw/zinc/49/75/44/966497544.db2.gz ILHKSUJDCQOOLT-OAQYLSRUSA-N 1 0 404.514 3.935 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000096924970 969056001 /nfs/dbraw/zinc/05/60/01/969056001.db2.gz CZKOIRBSFKIUMS-DUQGCJEPSA-N 1 0 410.514 3.679 50 0 HHAARO O=C(NCc1ccco1)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777161 970479611 /nfs/dbraw/zinc/47/96/11/970479611.db2.gz XNMVLJAJZXOCCK-UHFFFAOYSA-N 1 0 417.509 3.942 50 0 HHAARO CC[C@@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)Cc2cc(OC)ccc2O1 ZINC000299791944 970723662 /nfs/dbraw/zinc/72/36/62/970723662.db2.gz DLLCDWVOLMDSMP-GOSISDBHSA-N 1 0 400.544 3.705 50 0 HHAARO CCCCc1ccc(NC(=O)N[C@@H]2CCN(c3cc(N4CCCC4)cn[nH+]3)C2)cc1 ZINC000409419927 972890509 /nfs/dbraw/zinc/89/05/09/972890509.db2.gz RVOUKZQPNPRWBZ-HXUWFJFHSA-N 1 0 408.550 3.820 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]ccc3C(=O)N(C)C)C2)c(Cl)c1OC ZINC000409420172 972890656 /nfs/dbraw/zinc/89/06/56/972890656.db2.gz ZFADLKWWECXNSW-OAHLLOKOSA-N 1 0 405.926 3.767 50 0 HHAARO CSc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004674666 132282047 /nfs/dbraw/zinc/28/20/47/132282047.db2.gz ACJBGPKMPOQFGJ-UHFFFAOYSA-N 1 0 409.599 3.969 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)cc2Cl)CC1 ZINC000004711712 132285328 /nfs/dbraw/zinc/28/53/28/132285328.db2.gz UOSKRQLIJLDPNR-UHFFFAOYSA-N 1 0 415.921 3.829 50 0 HHAARO Clc1ccccc1Cn1ncc2c1ncnc2N1CC[NH+](C2CCCCC2)CC1 ZINC000006759821 132315106 /nfs/dbraw/zinc/31/51/06/132315106.db2.gz ARBNAGWDUWBTRY-UHFFFAOYSA-N 1 0 410.953 3.983 50 0 HHAARO Cn1nc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c2c1-c1ccccc1SC2 ZINC000006781347 132316066 /nfs/dbraw/zinc/31/60/66/132316066.db2.gz NUWQJNKDHZMTEM-UHFFFAOYSA-N 1 0 419.554 3.697 50 0 HHAARO Nc1cc(N)[nH+]c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)n1 ZINC000006830484 132318199 /nfs/dbraw/zinc/31/81/99/132318199.db2.gz XJVMAHJAMLIFFX-OAHLLOKOSA-N 1 0 409.540 3.613 50 0 HHAARO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000006910632 132320334 /nfs/dbraw/zinc/32/03/34/132320334.db2.gz ZDLXRMBCZOEWBU-UHFFFAOYSA-N 1 0 419.566 3.524 50 0 HHAARO Cc1cc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)ccc1N1CC[NH+](C)CC1 ZINC000012537280 132362282 /nfs/dbraw/zinc/36/22/82/132362282.db2.gz WOGCKSUVBQRGOZ-QFIPXVFZSA-N 1 0 409.530 3.557 50 0 HHAARO COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012554301 132363382 /nfs/dbraw/zinc/36/33/82/132363382.db2.gz SCYKNSDUFAPWFI-UHFFFAOYSA-N 1 0 407.436 3.647 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1cccc(Cl)c1 ZINC000032565479 519714915 /nfs/dbraw/zinc/71/49/15/519714915.db2.gz CKEGYIGRVBBALO-RTWAWAEBSA-N 1 0 403.929 3.736 50 0 HHAARO CC(=O)Nc1nc2ccc(CC(=O)NCC[C@H](C)[NH+]3CCCCCC3)cc2s1 ZINC000032959604 519753036 /nfs/dbraw/zinc/75/30/36/519753036.db2.gz VGXDSTXVTSUDBC-HNNXBMFYSA-N 1 0 402.564 3.568 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045832289 519820023 /nfs/dbraw/zinc/82/00/23/519820023.db2.gz PNTYBFRLBIMNDG-QFIPXVFZSA-N 1 0 417.569 3.695 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC1CC1 ZINC000036246110 520095177 /nfs/dbraw/zinc/09/51/77/520095177.db2.gz WBHSRYLGPIHPBB-FQEVSTJZSA-N 1 0 401.551 3.797 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000043193442 520835113 /nfs/dbraw/zinc/83/51/13/520835113.db2.gz KXBIJYCEIHVHSR-FQEVSTJZSA-N 1 0 402.564 3.789 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccsc1 ZINC000031988382 520861295 /nfs/dbraw/zinc/86/12/95/520861295.db2.gz MGCOJMIQGQBMGH-GOSISDBHSA-N 1 0 401.532 3.636 50 0 HHAARO COc1cc(-c2n[nH]cc2CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000020598700 521901346 /nfs/dbraw/zinc/90/13/46/521901346.db2.gz SDXNCQDFXXVQOQ-HXUWFJFHSA-N 1 0 422.529 3.591 50 0 HHAARO C[N@H+](Cc1ccccc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CCCCC1 ZINC000042012208 523376164 /nfs/dbraw/zinc/37/61/64/523376164.db2.gz SJRHIVHTQOPFKV-UHFFFAOYSA-N 1 0 414.550 3.500 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)c2ccc(F)cc2)C1 ZINC000052678882 524885976 /nfs/dbraw/zinc/88/59/76/524885976.db2.gz TVXHKZLKOJHSJY-ROUUACIJSA-N 1 0 411.521 3.583 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCC(=O)N3)[NH+]2CCCCC2)cc1 ZINC000032841501 525186542 /nfs/dbraw/zinc/18/65/42/525186542.db2.gz LVIARDWQSZQTOX-JOCHJYFZSA-N 1 0 407.514 3.537 50 0 HHAARO COc1ccc([C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000040160728 525358811 /nfs/dbraw/zinc/35/88/11/525358811.db2.gz FWCOYFNNVFSUMQ-ZSQFBXSQSA-N 1 0 424.585 3.877 50 0 HHAARO COc1cccc(CNC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)c1 ZINC000020574566 525993614 /nfs/dbraw/zinc/99/36/14/525993614.db2.gz HETLCTGYACENPA-UHFFFAOYSA-N 1 0 419.529 3.625 50 0 HHAARO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032777582 526052737 /nfs/dbraw/zinc/05/27/37/526052737.db2.gz RFMNTIGAZSXKKY-GFCCVEGCSA-N 1 0 403.331 3.713 50 0 HHAARO Cc1nc2cccnc2n1-c1cc(C(=O)NCC[C@H](C)[NH+]2CCCC2)ccc1Cl ZINC000032932241 527181108 /nfs/dbraw/zinc/18/11/08/527181108.db2.gz AGWLZQDTYDTQAB-HNNXBMFYSA-N 1 0 411.937 3.987 50 0 HHAARO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccccc1 ZINC000032899561 527204279 /nfs/dbraw/zinc/20/42/79/527204279.db2.gz ORIUBRLUCLQZKM-JOCHJYFZSA-N 1 0 421.472 3.993 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000032870908 527544080 /nfs/dbraw/zinc/54/40/80/527544080.db2.gz AYSPJWPMIRPUEC-UHFFFAOYSA-N 1 0 410.493 3.968 50 0 HHAARO Cn1nc(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n(-c2ccccc2)c1=O ZINC000077100633 527553010 /nfs/dbraw/zinc/55/30/10/527553010.db2.gz CFWHUWUBOGIMQC-UHFFFAOYSA-N 1 0 416.447 3.969 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(c3ccccc3OC)CC2)cc1 ZINC000009874706 535605113 /nfs/dbraw/zinc/60/51/13/535605113.db2.gz JIKPQBKJUSMDKC-UHFFFAOYSA-N 1 0 410.562 3.569 50 0 HHAARO CCC[NH2+]Cc1cc(OC)c(OCC(=O)Nc2ccccc2)cc1Br ZINC000002860909 557410074 /nfs/dbraw/zinc/41/00/74/557410074.db2.gz QTPDFQROBHOONI-UHFFFAOYSA-N 1 0 407.308 3.975 50 0 HHAARO Cc1cc([C@@H]2C[C@H](C(=O)N3CCOCC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716776 557430151 /nfs/dbraw/zinc/43/01/51/557430151.db2.gz GZYJQPIIMAMLAA-RTWAWAEBSA-N 1 0 414.496 3.738 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2C)n1 ZINC000034911944 557478398 /nfs/dbraw/zinc/47/83/98/557478398.db2.gz VFTUZIQWQZCSJC-NRFANRHFSA-N 1 0 417.557 3.575 50 0 HHAARO Cc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)NCc4ccccc4)CC3)CC2)cc1 ZINC000034912041 557479534 /nfs/dbraw/zinc/47/95/34/557479534.db2.gz WSLMFDCIBVKQDC-UHFFFAOYSA-N 1 0 419.569 3.628 50 0 HHAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000004261628 557532929 /nfs/dbraw/zinc/53/29/29/557532929.db2.gz IUFOZEOZHJOXCO-UHFFFAOYSA-N 1 0 405.586 3.722 50 0 HHAARO O[C@H](CSc1ccccc1)C[NH+]1CCC(Nc2nccc(C(F)(F)F)n2)CC1 ZINC000004299521 557537353 /nfs/dbraw/zinc/53/73/53/557537353.db2.gz NALRVUKYUOFNRE-HNNXBMFYSA-N 1 0 412.481 3.525 50 0 HHAARO O=C(C1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004700577 557583521 /nfs/dbraw/zinc/58/35/21/557583521.db2.gz FJYBFCLAMAVIOU-UHFFFAOYSA-N 1 0 411.977 3.896 50 0 HHAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004700192 557583604 /nfs/dbraw/zinc/58/36/04/557583604.db2.gz WXIQUKNWMXKMIF-UHFFFAOYSA-N 1 0 405.586 3.805 50 0 HHAARO C[C@H](C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000004725545 557587285 /nfs/dbraw/zinc/58/72/85/557587285.db2.gz UBRLMYIFSYLLJQ-JOCHJYFZSA-N 1 0 405.586 3.847 50 0 HHAARO CCOc1ccc(C[NH+]2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000004725548 557587289 /nfs/dbraw/zinc/58/72/89/557587289.db2.gz XPMSPEVMAUWDQR-UHFFFAOYSA-N 1 0 421.585 3.642 50 0 HHAARO CC[C@H](CO)[NH2+]Cc1cc(OC)c(OCCc2ccccc2)cc1Br ZINC000005065282 557633523 /nfs/dbraw/zinc/63/35/23/557633523.db2.gz HCQNABIGGQPROO-QGZVFWFLSA-N 1 0 408.336 3.940 50 0 HHAARO COc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974590 557776120 /nfs/dbraw/zinc/77/61/20/557776120.db2.gz PRPDFBZHRZIDAA-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO Cc1nc(CSc2ccc(C(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc2)cs1 ZINC000022694141 557782727 /nfs/dbraw/zinc/78/27/27/557782727.db2.gz SZHKYRHOWDBNMO-LJQANCHMSA-N 1 0 419.616 3.830 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)[NH+](C)C)cc1 ZINC000008744969 557804670 /nfs/dbraw/zinc/80/46/70/557804670.db2.gz PTPZPYFKHJGTGQ-JOCHJYFZSA-N 1 0 421.545 3.931 50 0 HHAARO Cc1c(-c2ccccc2)sc2ncnc(N3CCN(CC[NH+]4CCCC4)CC3)c12 ZINC000022781921 557819703 /nfs/dbraw/zinc/81/97/03/557819703.db2.gz APGWCVIHSLUXOK-UHFFFAOYSA-N 1 0 407.587 3.885 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2C)C[C@@H]1CCO ZINC000019731373 558259584 /nfs/dbraw/zinc/25/95/84/558259584.db2.gz DYMOQTRCRHWMGE-VWLOTQADSA-N 1 0 404.558 3.558 50 0 HHAARO COc1ccc(C[NH+]2CCC(O)(Cc3cc(-c4cccc(OC)c4)no3)CC2)cc1 ZINC000011661973 558265962 /nfs/dbraw/zinc/26/59/62/558265962.db2.gz AMJBTEHBZMMFNI-UHFFFAOYSA-N 1 0 408.498 3.928 50 0 HHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000011789701 558277181 /nfs/dbraw/zinc/27/71/81/558277181.db2.gz IGQVLXGDVLGBOG-KRWDZBQOSA-N 1 0 412.921 3.896 50 0 HHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000011813463 558278228 /nfs/dbraw/zinc/27/82/28/558278228.db2.gz YLNJHQHDZKABAK-LJQANCHMSA-N 1 0 420.981 3.786 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011821351 558284605 /nfs/dbraw/zinc/28/46/05/558284605.db2.gz HUBODLGTDVJOBO-AREMUKBSSA-N 1 0 421.585 3.934 50 0 HHAARO O=C(NCc1ccco1)[C@@H]1CC12CC[NH+](Cc1ccc(Oc3ncccn3)cc1)CC2 ZINC000011838817 558285632 /nfs/dbraw/zinc/28/56/32/558285632.db2.gz NVFYWZGWRRPZTD-NRFANRHFSA-N 1 0 418.497 3.780 50 0 HHAARO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000011844655 558289317 /nfs/dbraw/zinc/28/93/17/558289317.db2.gz MULCUDBIOJSHQU-CYBMUJFWSA-N 1 0 405.882 3.521 50 0 HHAARO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1F ZINC000011879612 558294113 /nfs/dbraw/zinc/29/41/13/558294113.db2.gz MDQHNCAPICFHBF-GOSISDBHSA-N 1 0 414.521 3.870 50 0 HHAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(Cl)s2)cc1 ZINC000011910001 558296365 /nfs/dbraw/zinc/29/63/65/558296365.db2.gz CITJYVVQWCDRPU-INIZCTEOSA-N 1 0 406.935 3.859 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCSCC2)c1 ZINC000011952651 558303093 /nfs/dbraw/zinc/30/30/93/558303093.db2.gz QRQAAHYXJLIPRN-UHFFFAOYSA-N 1 0 404.576 3.670 50 0 HHAARO C[NH+](C)Cc1cc(-c2cnccn2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000011977340 558305798 /nfs/dbraw/zinc/30/57/98/558305798.db2.gz YONGFNHAEYRSTG-UHFFFAOYSA-N 1 0 420.557 3.669 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2ncc(C)c(-c3cccs3)n2)c1C1CC1 ZINC000012038090 558312416 /nfs/dbraw/zinc/31/24/16/558312416.db2.gz VFHDPNNQXXHMPH-UHFFFAOYSA-N 1 0 424.574 3.648 50 0 HHAARO C[NH+]1CCC(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@@H]2CCO)CC1 ZINC000020472529 558374158 /nfs/dbraw/zinc/37/41/58/558374158.db2.gz UZGQSDRJOWTCFF-IBGZPJMESA-N 1 0 417.981 3.563 50 0 HHAARO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000012315355 558378877 /nfs/dbraw/zinc/37/88/77/558378877.db2.gz PGUJTFXPDKANJZ-GOSISDBHSA-N 1 0 422.495 3.774 50 0 HHAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)NCc2ccco2)c1 ZINC000012373753 558391104 /nfs/dbraw/zinc/39/11/04/558391104.db2.gz KOGXXAXJALQUIE-UHFFFAOYSA-N 1 0 405.498 3.956 50 0 HHAARO CCOc1ccc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@@H]2CCO)cc1 ZINC000020869660 558418364 /nfs/dbraw/zinc/41/83/64/558418364.db2.gz IDHJARVLFPJUGW-QFIPXVFZSA-N 1 0 407.558 3.646 50 0 HHAARO COc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464730 558420245 /nfs/dbraw/zinc/42/02/45/558420245.db2.gz OHZFOUOTKYWFIV-GOSISDBHSA-N 1 0 414.521 3.950 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[NH2+]CCN1CCOCC1 ZINC000020919434 558423359 /nfs/dbraw/zinc/42/33/59/558423359.db2.gz OBUNXBCQMZCJTE-UHFFFAOYSA-N 1 0 412.484 3.548 50 0 HHAARO O=C1CC[C@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1ccc(-n2cccn2)cc1 ZINC000012510068 558423955 /nfs/dbraw/zinc/42/39/55/558423955.db2.gz UKBGZPFPLRNRBM-OAQYLSRUSA-N 1 0 422.504 3.561 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@@H](COC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)C1 ZINC000072015846 558429158 /nfs/dbraw/zinc/42/91/58/558429158.db2.gz PKYQEWRLPTUHMQ-OXHGWOFKSA-N 1 0 410.514 3.574 50 0 HHAARO COC(=O)c1ccccc1C(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012578045 558431540 /nfs/dbraw/zinc/43/15/40/558431540.db2.gz GAZUVUQKVUUQRW-LJQANCHMSA-N 1 0 412.505 3.639 50 0 HHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccccc4OC)CC3)on2)c1 ZINC000012594144 558436900 /nfs/dbraw/zinc/43/69/00/558436900.db2.gz UCGUDXVYFBPCHN-UHFFFAOYSA-N 1 0 408.498 3.928 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccc4nccnc4c3)CC2)cc1 ZINC000012612616 558438930 /nfs/dbraw/zinc/43/89/30/558438930.db2.gz WDVXCQYCZYNOEK-UHFFFAOYSA-N 1 0 418.541 3.665 50 0 HHAARO COc1ccc(CC(=O)N(C)[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OC ZINC000012702166 558448059 /nfs/dbraw/zinc/44/80/59/558448059.db2.gz JHUQQNTWLZEQLJ-JOCHJYFZSA-N 1 0 410.558 3.802 50 0 HHAARO COC(=O)c1ccccc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000012714111 558454359 /nfs/dbraw/zinc/45/43/59/558454359.db2.gz IEZXIOCWEOEYSA-UHFFFAOYSA-N 1 0 424.541 3.509 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(cccc3C)s2)cc1 ZINC000004359709 558456770 /nfs/dbraw/zinc/45/67/70/558456770.db2.gz CEHYHLTZHQCBLQ-UHFFFAOYSA-N 1 0 411.527 3.990 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794433 558467683 /nfs/dbraw/zinc/46/76/83/558467683.db2.gz AMJQWHOAKOQPID-FCHUYYIVSA-N 1 0 413.537 3.779 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)[NH+](C)C)cc1 ZINC000012971992 558489193 /nfs/dbraw/zinc/48/91/93/558489193.db2.gz KDMNCJGBOXYXRM-HXUWFJFHSA-N 1 0 413.587 3.582 50 0 HHAARO CC[NH+](CC)C[C@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000022454203 558490271 /nfs/dbraw/zinc/49/02/71/558490271.db2.gz UBRKDAVQCKZSPO-GOSISDBHSA-N 1 0 421.545 3.508 50 0 investigational HHAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000012975455 558490996 /nfs/dbraw/zinc/49/09/96/558490996.db2.gz YKCILLURJAUZGZ-RTWAWAEBSA-N 1 0 409.555 3.965 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)OCCCO3)[NH+]2CCCCC2)cc1 ZINC000022685684 558504606 /nfs/dbraw/zinc/50/46/06/558504606.db2.gz NSLCUIVZEITFLM-OAQYLSRUSA-N 1 0 410.514 3.814 50 0 HHAARO COc1ccc(Cc2nc3sc4c(c3c(N3CC[NH+](C)CC3)n2)CCC4)cc1OC ZINC000013041874 558507689 /nfs/dbraw/zinc/50/76/89/558507689.db2.gz BDJOBUIFOAEWID-UHFFFAOYSA-N 1 0 424.570 3.540 50 0 HHAARO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803398 558513543 /nfs/dbraw/zinc/51/35/43/558513543.db2.gz JEMUAIQPRKDVNQ-SFHVURJKSA-N 1 0 417.509 3.713 50 0 HHAARO COc1ccccc1N1CCC([N@@H+]2CCN(Cc3ccccc3C)[C@@H](CCO)C2)CC1 ZINC000022918741 558522255 /nfs/dbraw/zinc/52/22/55/558522255.db2.gz UWPBSMRLJVODTO-DEOSSOPVSA-N 1 0 423.601 3.541 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000013494777 558534849 /nfs/dbraw/zinc/53/48/49/558534849.db2.gz NYPYSZABGFCOPZ-UHFFFAOYSA-N 1 0 423.517 3.963 50 0 HHAARO CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000023359400 558551454 /nfs/dbraw/zinc/55/14/54/558551454.db2.gz OSZYZHZVTDETFN-LJQANCHMSA-N 1 0 414.575 3.549 50 0 HHAARO Cc1ccccc1CN1CC[N@@H+](C2CCN(c3ccccc3C)CC2)C[C@@H]1CCO ZINC000023361150 558552243 /nfs/dbraw/zinc/55/22/43/558552243.db2.gz XKBMIVOEZHVQQV-VWLOTQADSA-N 1 0 407.602 3.841 50 0 HHAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCCN1CCOCC1 ZINC000023882418 558580117 /nfs/dbraw/zinc/58/01/17/558580117.db2.gz GAVAGGFMGPTYAS-UHFFFAOYSA-N 1 0 424.520 3.924 50 0 HHAARO O=C(Cn1c2ccccc2nc1C(F)(F)F)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000014067502 558616797 /nfs/dbraw/zinc/61/67/97/558616797.db2.gz DFLZVRPVGIDGHK-INIZCTEOSA-N 1 0 406.408 3.601 50 0 HHAARO C[NH+](C)C1(CNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)CCCCCC1 ZINC000014111101 558620756 /nfs/dbraw/zinc/62/07/56/558620756.db2.gz JJHMTMBXADGTKP-UHFFFAOYSA-N 1 0 418.541 3.770 50 0 HHAARO Cc1nc(-c2ccc(CC[NH2+][C@H](C(=O)N3CCOCC3)c3ccccc3)cc2)cs1 ZINC000014160812 558626113 /nfs/dbraw/zinc/62/61/13/558626113.db2.gz OOPDRQRJVNDYFF-QHCPKHFHSA-N 1 0 421.566 3.851 50 0 HHAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@H](C)O1 ZINC000014187302 558631478 /nfs/dbraw/zinc/63/14/78/558631478.db2.gz UFVOYJCGNSYLHV-HDICACEKSA-N 1 0 424.570 3.830 50 0 HHAARO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(N)=O)CCC2 ZINC000014196729 558633578 /nfs/dbraw/zinc/63/35/78/558633578.db2.gz UQBAAAKAGLBXOU-KBPBESRZSA-N 1 0 411.571 3.892 50 0 HHAARO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000014196791 558633608 /nfs/dbraw/zinc/63/36/08/558633608.db2.gz YTHRFTCYGNOIGD-OAQYLSRUSA-N 1 0 401.894 3.986 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000014531167 558656068 /nfs/dbraw/zinc/65/60/68/558656068.db2.gz XAVRYPQQOAKXTE-KRWDZBQOSA-N 1 0 400.592 3.526 50 0 HHAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000026299707 558658617 /nfs/dbraw/zinc/65/86/17/558658617.db2.gz ZIXHHZJJVCNDCX-WZONZLPQSA-N 1 0 403.530 3.796 50 0 HHAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](CC(C)(C)C)CC2 ZINC000014537545 558658696 /nfs/dbraw/zinc/65/86/96/558658696.db2.gz INVSUTNTKZCVCL-UHFFFAOYSA-N 1 0 411.590 3.955 50 0 HHAARO CCCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000014732582 558665942 /nfs/dbraw/zinc/66/59/42/558665942.db2.gz LLCYIJKHFKEVCQ-QGZVFWFLSA-N 1 0 423.586 3.766 50 0 HHAARO CN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1cc3ccccc3s1)CC2 ZINC000014742222 558667374 /nfs/dbraw/zinc/66/73/74/558667374.db2.gz CDAQGSVOBXFXCV-UHFFFAOYSA-N 1 0 420.538 3.725 50 0 HHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014754461 558671461 /nfs/dbraw/zinc/67/14/61/558671461.db2.gz DVNSKGWXYVQFBJ-UHFFFAOYSA-N 1 0 409.555 3.534 50 0 HHAARO COc1ccc([C@@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000027583047 558676146 /nfs/dbraw/zinc/67/61/46/558676146.db2.gz VLZOUFOSVLXTAO-JOCHJYFZSA-N 1 0 400.494 3.947 50 0 HHAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@@H](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000014953699 558681756 /nfs/dbraw/zinc/68/17/56/558681756.db2.gz FWEWHOXBLZOBFT-IBGZPJMESA-N 1 0 406.014 3.927 50 0 HHAARO O=C(c1ccncc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014961901 558684340 /nfs/dbraw/zinc/68/43/40/558684340.db2.gz CZERPZUJOQJMIG-VWLOTQADSA-N 1 0 419.569 3.582 50 0 HHAARO COc1ccc(CCN2C(=O)N(C(C)C)C(=O)C23CC[NH+](CC=C(C)C)CC3)cc1 ZINC000014530447 558684888 /nfs/dbraw/zinc/68/48/88/558684888.db2.gz SXFYKFVDLFXCGF-UHFFFAOYSA-N 1 0 413.562 3.711 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000014964127 558685231 /nfs/dbraw/zinc/68/52/31/558685231.db2.gz ZOVDFIXHXVANIA-GOSISDBHSA-N 1 0 422.504 3.693 50 0 HHAARO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)cn1 ZINC000014966570 558685949 /nfs/dbraw/zinc/68/59/49/558685949.db2.gz NYZRZCHSOKSAFF-KRWDZBQOSA-N 1 0 400.954 3.616 50 0 HHAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)N(C)C)[N@H+](Cc3ccc(OC)c(C)c3)C2)cc1 ZINC000014993157 558695045 /nfs/dbraw/zinc/69/50/45/558695045.db2.gz ONJCJYDEILLOKG-RTWAWAEBSA-N 1 0 414.571 3.836 50 0 HHAARO Cc1ccc(N2CC[NH+](C[C@@H](O)Cn3c4ccccc4nc3C(F)(F)F)CC2)cc1 ZINC000028297200 558699223 /nfs/dbraw/zinc/69/92/23/558699223.db2.gz SEMXTDOYGUQDTK-GOSISDBHSA-N 1 0 418.463 3.547 50 0 HHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000070039892 558704483 /nfs/dbraw/zinc/70/44/83/558704483.db2.gz RDWLWYOLVMITEH-FRRDWIJNSA-N 1 0 407.399 3.537 50 0 HHAARO COC[C@H]1CCN(C(=O)c2cc(C)ccc2OC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000015069053 558711523 /nfs/dbraw/zinc/71/15/23/558711523.db2.gz MDVIDXPFXZMFLX-NRFANRHFSA-N 1 0 423.557 3.542 50 0 HHAARO Fc1ccc([C@H](C[NH2+]Cc2ccccc2OCc2cccnc2)N2CCOCC2)cc1 ZINC000030544861 558732431 /nfs/dbraw/zinc/73/24/31/558732431.db2.gz FDNJRKVRWQDZNP-DEOSSOPVSA-N 1 0 421.516 3.963 50 0 HHAARO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)c1 ZINC000004578117 558754531 /nfs/dbraw/zinc/75/45/31/558754531.db2.gz LNAVSMZOFXHYTO-UHFFFAOYSA-N 1 0 402.604 3.887 50 0 HHAARO c1cc2c(cc1-n1nnnc1C1([NH+]3CCCCC3)C3CC4CC(C3)CC1C4)OCCO2 ZINC000035170779 558788757 /nfs/dbraw/zinc/78/87/57/558788757.db2.gz UJVJBOMBUOYNAH-UHFFFAOYSA-N 1 0 421.545 3.571 50 0 HHAARO O=C(NCC[NH+]1CCCCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1ccccc1)O2 ZINC000032984076 558805023 /nfs/dbraw/zinc/80/50/23/558805023.db2.gz PZLITLBIBZFHRO-CJLVFECKSA-N 1 0 405.498 3.664 50 0 HHAARO COc1ccc(NC(=S)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(OC)c1 ZINC000017090403 558819000 /nfs/dbraw/zinc/81/90/00/558819000.db2.gz LQBIEYKCNISWHQ-UHFFFAOYSA-N 1 0 415.603 3.987 50 0 HHAARO OCC[NH+]1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000019228902 558853161 /nfs/dbraw/zinc/85/31/61/558853161.db2.gz RGCVKNLCSQQDEP-UHFFFAOYSA-N 1 0 403.979 3.943 50 0 fda HHAARO Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036819 558860656 /nfs/dbraw/zinc/86/06/56/558860656.db2.gz RZFJLBHHSHDXSM-UHFFFAOYSA-N 1 0 420.532 3.717 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300340 558866114 /nfs/dbraw/zinc/86/61/14/558866114.db2.gz BVCODQJLYMAJBK-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO C[NH+]1CCN(CN2C(=O)S/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)CC1 ZINC000019360018 558876042 /nfs/dbraw/zinc/87/60/42/558876042.db2.gz KMWAGLGADMTHKQ-LDADJPATSA-N 1 0 417.918 3.841 50 0 HHAARO CC[N@@H+](Cc1cccc(OCCO)c1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000055244914 558877300 /nfs/dbraw/zinc/87/73/00/558877300.db2.gz LCPNDANJCQSZLQ-HSZRJFAPSA-N 1 0 414.565 3.973 50 0 HHAARO CC(=O)c1ccc(NC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055270239 558878084 /nfs/dbraw/zinc/87/80/84/558878084.db2.gz VSOKGLAEAMIXDI-QHCPKHFHSA-N 1 0 406.530 3.708 50 0 HHAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055576124 558883220 /nfs/dbraw/zinc/88/32/20/558883220.db2.gz BOIDZSPBIWRGQC-JOCHJYFZSA-N 1 0 415.559 3.595 50 0 HHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CCCCCCC4)c(C)c32)CC1 ZINC000033048443 558885854 /nfs/dbraw/zinc/88/58/54/558885854.db2.gz OHUADFHPUPGKJW-UHFFFAOYSA-N 1 0 415.607 3.984 50 0 HHAARO Cc1ccc([C@H](CNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1 ZINC000058099056 558898688 /nfs/dbraw/zinc/89/86/88/558898688.db2.gz RADXSJHZUKSNQP-GKWUYRECSA-N 1 0 423.601 3.581 50 0 HHAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058137996 558901240 /nfs/dbraw/zinc/90/12/40/558901240.db2.gz WEWNGWVUORVGAA-OAQYLSRUSA-N 1 0 422.504 3.979 50 0 HHAARO Cc1ccc(CNC(=O)N[C@@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC000058159191 558904373 /nfs/dbraw/zinc/90/43/73/558904373.db2.gz QZJSPFUSUSJKDE-DEOSSOPVSA-N 1 0 408.590 3.870 50 0 HHAARO C[C@H](CNC(=O)NCCc1cc(Br)ccc1F)C[NH+]1CCCCC1 ZINC000058161959 558905886 /nfs/dbraw/zinc/90/58/86/558905886.db2.gz OZIKKDCKOMAMSA-CQSZACIVSA-N 1 0 400.336 3.552 50 0 HHAARO C[C@@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)NCc1ccco1 ZINC000058176728 558909692 /nfs/dbraw/zinc/90/96/92/558909692.db2.gz JMFBEJWGWCODTR-HXUWFJFHSA-N 1 0 418.541 3.719 50 0 HHAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000058179822 558910097 /nfs/dbraw/zinc/91/00/97/558910097.db2.gz UMQFLSQQZSKJEN-LJQANCHMSA-N 1 0 413.949 3.834 50 0 HHAARO C[NH+](C)Cc1ccc(C(=O)Nc2cc(Br)ccc2N2CCOCC2)cc1 ZINC000058191942 558910680 /nfs/dbraw/zinc/91/06/80/558910680.db2.gz AUSJDCYTYOINBW-UHFFFAOYSA-N 1 0 418.335 3.600 50 0 HHAARO COc1ccc([C@H](CC(=O)N2CCC([NH+]3CCOCC3)CC2)c2ccccc2)cc1 ZINC000019536285 558913757 /nfs/dbraw/zinc/91/37/57/558913757.db2.gz ZTQSWFJYUMRDTB-XMMPIXPASA-N 1 0 408.542 3.540 50 0 HHAARO CCCC[NH+](CCCC)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004709456 558914285 /nfs/dbraw/zinc/91/42/85/558914285.db2.gz SZBSKNAFIFEIEE-UHFFFAOYSA-N 1 0 418.969 3.582 50 0 HHAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000058315618 558919195 /nfs/dbraw/zinc/91/91/95/558919195.db2.gz SQKGSRLMKITFFQ-AWEZNQCLSA-N 1 0 406.313 3.943 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000058378525 558922995 /nfs/dbraw/zinc/92/29/95/558922995.db2.gz GEEQTXRPTAAMDU-LJQANCHMSA-N 1 0 413.512 3.820 50 0 HHAARO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000058439130 558927379 /nfs/dbraw/zinc/92/73/79/558927379.db2.gz COROKTPUFIYLCT-QGZVFWFLSA-N 1 0 416.319 3.947 50 0 HHAARO OCC[C@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019595592 558946138 /nfs/dbraw/zinc/94/61/38/558946138.db2.gz HALIIDAOGDHSLF-QHCPKHFHSA-N 1 0 410.949 3.595 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(Cl)c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000064800079 558965751 /nfs/dbraw/zinc/96/57/51/558965751.db2.gz CLARHUBRCHASAQ-UHFFFAOYSA-N 1 0 414.941 3.701 50 0 HHAARO Cc1cccc(-c2nc3cc4c(cc3cc2C[NH+]2C[C@@H](CO)[C@H](CO)C2)CCC4)c1 ZINC000072457409 558983149 /nfs/dbraw/zinc/98/31/49/558983149.db2.gz ROGXMGJNNQPQDH-ZEQRLZLVSA-N 1 0 402.538 3.732 50 0 HHAARO Cc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)c1 ZINC000067613817 558989359 /nfs/dbraw/zinc/98/93/59/558989359.db2.gz BJXCVOOZKMMRJR-UHFFFAOYSA-N 1 0 404.514 3.916 50 0 HHAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673275 558991063 /nfs/dbraw/zinc/99/10/63/558991063.db2.gz KEMOEUZWPIVOPM-IBGZPJMESA-N 1 0 400.906 3.918 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc4ncccc4c3)C[C@@H]2CCO)c(C)c1C ZINC000076915992 558998051 /nfs/dbraw/zinc/99/80/51/558998051.db2.gz JWIVIFIBHNJUJD-DEOSSOPVSA-N 1 0 419.569 3.929 50 0 HHAARO CC(C)Cn1c(CC2(CC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CCCC2)nc2cccnc21 ZINC000077323701 559001535 /nfs/dbraw/zinc/00/15/35/559001535.db2.gz LZHKIRKAQVFFFH-KDURUIRLSA-N 1 0 409.578 3.543 50 0 HHAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082086568 559036780 /nfs/dbraw/zinc/03/67/80/559036780.db2.gz BSHDCGMGLPAUMN-QFIPXVFZSA-N 1 0 409.574 3.623 50 0 HHAARO CN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCCC1 ZINC000082092938 559037385 /nfs/dbraw/zinc/03/73/85/559037385.db2.gz ROHNCMGJKZNKHB-JOCHJYFZSA-N 1 0 412.622 3.939 50 0 HHAARO CCC1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000082106572 559038058 /nfs/dbraw/zinc/03/80/58/559038058.db2.gz LOHCNZQMOTXGAU-JOCHJYFZSA-N 1 0 412.622 3.797 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000011607432 559113304 /nfs/dbraw/zinc/11/33/04/559113304.db2.gz XFHQJCGKJWEIHF-UHFFFAOYSA-N 1 0 405.542 3.956 50 0 HHAARO COc1cc(Cl)cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)c1OC ZINC000097463733 559118786 /nfs/dbraw/zinc/11/87/86/559118786.db2.gz GLMPSZZIRBGOBQ-NRFANRHFSA-N 1 0 418.965 3.734 50 0 HHAARO NC(=O)[C@H](C[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1)Cc1ccc(F)cc1 ZINC000095452874 559147110 /nfs/dbraw/zinc/14/71/10/559147110.db2.gz AHKBWYOFYGBRAV-HNNXBMFYSA-N 1 0 409.288 3.842 50 0 HHAARO COc1ccc(-c2cnc3ncnn3c2N2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)cc1 ZINC000023328341 559166802 /nfs/dbraw/zinc/16/68/02/559166802.db2.gz IZBAJOBXNXAQFL-QGZVFWFLSA-N 1 0 406.534 3.501 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc21 ZINC000004936634 559211900 /nfs/dbraw/zinc/21/19/00/559211900.db2.gz KDYBMDISUGSWQD-HDICACEKSA-N 1 0 415.603 3.598 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000005008512 559226959 /nfs/dbraw/zinc/22/69/59/559226959.db2.gz RGDYGGWHKGLMEX-UHFFFAOYSA-N 1 0 409.983 3.522 50 0 HHAARO CCCC[N@H+](C)CCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1 ZINC000005007293 559227590 /nfs/dbraw/zinc/22/75/90/559227590.db2.gz MBSXRUSJFAEHRG-UHFFFAOYSA-N 1 0 400.548 3.772 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)C1 ZINC000005022417 559229550 /nfs/dbraw/zinc/22/95/50/559229550.db2.gz IUZLJXKEOJZMJL-HOTGVXAUSA-N 1 0 411.571 3.851 50 0 HHAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccnc3)=NN12 ZINC000005033788 559231795 /nfs/dbraw/zinc/23/17/95/559231795.db2.gz QOYKQVGGUNBOMR-SFHVURJKSA-N 1 0 413.319 3.810 50 0 HHAARO Cc1oc2cc(OC(=O)[C@@H]3CCCN3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000061991177 560564684 /nfs/dbraw/zinc/56/46/84/560564684.db2.gz IIWUQMDYQWUJCW-SFHVURJKSA-N 1 0 421.449 3.587 50 0 biogenic HHAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@@H+]1CCCC[C@H]1CC ZINC000005478285 560595140 /nfs/dbraw/zinc/59/51/40/560595140.db2.gz QRVLGIRAXSUGRT-OAHLLOKOSA-N 1 0 401.507 3.946 50 0 HHAARO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CC)c2cc(OC)ccc2n1C ZINC000005490237 560598076 /nfs/dbraw/zinc/59/80/76/560598076.db2.gz NEMWHDCVHYOYMG-OAHLLOKOSA-N 1 0 401.507 3.567 50 0 HHAARO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000062580218 560631365 /nfs/dbraw/zinc/63/13/65/560631365.db2.gz LXKCQKVOSDGJJO-OAQYLSRUSA-N 1 0 420.431 3.828 50 0 HHAARO O=C(Nc1cc2ccccc2cc1C(=O)N1CCN(Cc2ccccn2)CC1)C1CC1 ZINC000024579563 560860233 /nfs/dbraw/zinc/86/02/33/560860233.db2.gz ZKABPKKYWBPGQN-UHFFFAOYSA-N 1 0 414.509 3.541 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC000047186835 560884212 /nfs/dbraw/zinc/88/42/12/560884212.db2.gz VXJFYRAGMPXLEE-SFHVURJKSA-N 1 0 418.541 3.547 50 0 HHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000106922255 560894389 /nfs/dbraw/zinc/89/43/89/560894389.db2.gz OXMJVAXFVCTJCV-RPRJQXISSA-N 1 0 409.618 3.914 50 0 HHAARO O=C(C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2)CC1)N1CCOCC1 ZINC000046055426 568425696 /nfs/dbraw/zinc/42/56/96/568425696.db2.gz BRPFWNMUWBYRSO-UHFFFAOYSA-N 1 0 417.553 3.760 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000046146356 568430608 /nfs/dbraw/zinc/43/06/08/568430608.db2.gz YSSKONCBSSMQIN-HSZRJFAPSA-N 1 0 416.569 3.916 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)no1 ZINC000048237265 568433063 /nfs/dbraw/zinc/43/30/63/568433063.db2.gz KUOCNCOUOVNCKA-MRXNPFEDSA-N 1 0 402.564 3.912 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)no1 ZINC000048237263 568433087 /nfs/dbraw/zinc/43/30/87/568433087.db2.gz KUOCNCOUOVNCKA-INIZCTEOSA-N 1 0 402.564 3.912 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CN(C)C(=O)c3cccs3)cc2)C1 ZINC000048311223 568436963 /nfs/dbraw/zinc/43/69/63/568436963.db2.gz GDHYMUCVQGRVMM-QZTJIDSGSA-N 1 0 413.587 3.614 50 0 HHAARO C[C@@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc(Cl)c(Cl)n1C ZINC000048355534 568441532 /nfs/dbraw/zinc/44/15/32/568441532.db2.gz UHUFKZMCWXQSPP-HNNXBMFYSA-N 1 0 409.361 3.663 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2cccs2)C1 ZINC000048886576 568443504 /nfs/dbraw/zinc/44/35/04/568443504.db2.gz ZKOHPONMMDNOKS-HDICACEKSA-N 1 0 413.587 3.614 50 0 HHAARO COc1c(Br)cc(C[NH2+]CCCn2ccnc2)cc1Br ZINC000020927427 568460750 /nfs/dbraw/zinc/46/07/50/568460750.db2.gz IFJHGTPSCHCCEV-UHFFFAOYSA-N 1 0 403.118 3.597 50 0 HHAARO Cc1nn(C)c2nc(C)c(CCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)c(C)c12 ZINC000022357076 568484757 /nfs/dbraw/zinc/48/47/57/568484757.db2.gz IHOYVDINOWZDQW-UHFFFAOYSA-N 1 0 419.573 3.738 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3C[C@H](C)C[C@H](C)C3)cc12 ZINC000020153761 568590831 /nfs/dbraw/zinc/59/08/31/568590831.db2.gz GOODFGGXVXZAFS-CALCHBBNSA-N 1 0 411.619 3.970 50 0 HHAARO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762950 568642638 /nfs/dbraw/zinc/64/26/38/568642638.db2.gz AHIUEMBECMBWDH-XLIONFOSSA-N 1 0 411.550 3.685 50 0 biogenic HHAARO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762596 568642759 /nfs/dbraw/zinc/64/27/59/568642759.db2.gz RTSCTICDMHXMOB-NQIIRXRSSA-N 1 0 409.578 3.711 50 0 biogenic HHAARO COC(=O)c1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)cc1 ZINC000020927323 568651550 /nfs/dbraw/zinc/65/15/50/568651550.db2.gz KXTRJKDRMBFKGO-UHFFFAOYSA-N 1 0 424.526 3.635 50 0 HHAARO O=C(Cn1ccc2cc(Br)ccc21)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000226834481 568697993 /nfs/dbraw/zinc/69/79/93/568697993.db2.gz SQCUUNGZPMCNPU-AEFFLSMTSA-N 1 0 404.352 3.785 50 0 HHAARO O=C(CN1CCCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000229981412 568716208 /nfs/dbraw/zinc/71/62/08/568716208.db2.gz HSNVOWSBKITEMX-TZIWHRDSSA-N 1 0 406.448 3.994 50 0 HHAARO CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)SC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000241231272 568731064 /nfs/dbraw/zinc/73/10/64/568731064.db2.gz KTLOIURAZNKMFX-OAHLLOKOSA-N 1 0 402.601 3.687 50 0 HHAARO Cn1cc([C@H](CNS(=O)(=O)Cc2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000021696103 568739654 /nfs/dbraw/zinc/73/96/54/568739654.db2.gz JDYHPGCIJOKVIX-FQEVSTJZSA-N 1 0 405.951 3.554 50 0 HHAARO O=C1CCCc2cc(S(=O)(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)ccc2N1 ZINC000021881059 568757152 /nfs/dbraw/zinc/75/71/52/568757152.db2.gz LELDAOUYBCUPIQ-UHFFFAOYSA-N 1 0 413.543 3.748 50 0 HHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000096562186 568760236 /nfs/dbraw/zinc/76/02/36/568760236.db2.gz LSKQHNKOLJTEPH-MGPUTAFESA-N 1 0 402.336 3.627 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)N2CC[NH+](C)CC2)cc1 ZINC000022579723 568770701 /nfs/dbraw/zinc/77/07/01/568770701.db2.gz XJEHKKQVQUIIKM-HXUWFJFHSA-N 1 0 422.356 3.721 50 0 HHAARO C[NH+]1CCN([C@@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 ZINC000022579560 568770739 /nfs/dbraw/zinc/77/07/39/568770739.db2.gz HJGUTMYNYNFTAA-IBGZPJMESA-N 1 0 409.427 3.563 50 0 HHAARO Cc1nc2c(cnn2CCc2ccccc2)c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000055412341 568774747 /nfs/dbraw/zinc/77/47/47/568774747.db2.gz GAJZUBACSFGYGH-UHFFFAOYSA-N 1 0 412.541 3.700 50 0 HHAARO Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+](C)C ZINC000002659078 568798561 /nfs/dbraw/zinc/79/85/61/568798561.db2.gz UGJAOAKYKXEPKQ-UHFFFAOYSA-N 1 0 424.570 3.696 50 0 HHAARO CCOc1cc(C2N=NC(=S)N2CCC[NH+](CC)CC)ccc1OC(F)F ZINC000002793114 568810265 /nfs/dbraw/zinc/81/02/65/568810265.db2.gz ZHNKBYYKGOWRHA-UHFFFAOYSA-N 1 0 400.495 3.966 50 0 HHAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc21 ZINC000005979267 568833840 /nfs/dbraw/zinc/83/38/40/568833840.db2.gz FZAGYOHSLFNQQK-HXOBKFHXSA-N 1 0 418.541 3.560 50 0 HHAARO CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)s1 ZINC000230088842 568834562 /nfs/dbraw/zinc/83/45/62/568834562.db2.gz PYZLSYXOQDDPCN-DLBZAZTESA-N 1 0 406.596 3.799 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000029837106 568837101 /nfs/dbraw/zinc/83/71/01/568837101.db2.gz CGPBJJNLZWCLAR-PMACEKPBSA-N 1 0 419.928 3.653 50 0 HHAARO CCc1nc2ccccc2n1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000012548144 568851321 /nfs/dbraw/zinc/85/13/21/568851321.db2.gz XWZSIHZZWZEYLB-JOCHJYFZSA-N 1 0 406.530 3.561 50 0 HHAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063925 568853179 /nfs/dbraw/zinc/85/31/79/568853179.db2.gz YIODTSALUWLVEW-QNGOZBTKSA-N 1 0 407.539 3.988 50 0 HHAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000003253327 568868149 /nfs/dbraw/zinc/86/81/49/568868149.db2.gz OYPZQYOPVLISBX-GFCCVEGCSA-N 1 0 410.725 3.662 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052985 568872289 /nfs/dbraw/zinc/87/22/89/568872289.db2.gz ZQODDIMANSGQIW-SCRDCRAPSA-N 1 0 421.173 3.929 50 0 HHAARO C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052994 568872292 /nfs/dbraw/zinc/87/22/92/568872292.db2.gz MHLQXVOWVVZPPS-AAEUAGOBSA-N 1 0 407.146 3.826 50 0 HHAARO COc1ccc(C)cc1N1C(=O)[C@@H]2C[C@H]1CN2C1CC[NH+](CCc2ccccc2)CC1 ZINC000299785031 568875472 /nfs/dbraw/zinc/87/54/72/568875472.db2.gz IQGQLBBTFROARA-UPVQGACJSA-N 1 0 419.569 3.500 50 0 HHAARO Cc1oc(-c2ccccc2C)nc1C[NH+]1CCC(C(=O)NCc2cccnc2)CC1 ZINC000004035071 568879117 /nfs/dbraw/zinc/87/91/17/568879117.db2.gz ZZFWKQIIXGUOMU-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000031075255 568912107 /nfs/dbraw/zinc/91/21/07/568912107.db2.gz VTUJJOZVGUEBCS-UHFFFAOYSA-N 1 0 409.349 3.523 50 0 HHAARO C[C@H]1CCc2[nH]c3c(cccc3C(=O)Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c2C1 ZINC000031457786 568926510 /nfs/dbraw/zinc/92/65/10/568926510.db2.gz HYBZFLZZLLRTMB-INIZCTEOSA-N 1 0 418.541 3.836 50 0 HHAARO O=S(=O)(c1ccc2ccccc2c1)N(C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004576690 568934237 /nfs/dbraw/zinc/93/42/37/568934237.db2.gz GQWFTSVUOGLZKM-HSZRJFAPSA-N 1 0 424.566 3.882 50 0 HHAARO COc1ccccc1N1C[C@@](O)(c2ccc(OC(F)F)cc2)[N+]2=C1CCCCC2 ZINC000004086859 568940565 /nfs/dbraw/zinc/94/05/65/568940565.db2.gz ABYVGJDCQUOUEX-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO Cc1ccc2c(c1)NC(=O)[C@@H](CC(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)O2 ZINC000005069951 568976257 /nfs/dbraw/zinc/97/62/57/568976257.db2.gz GHYLIXUYOIGJSH-JOCHJYFZSA-N 1 0 409.530 3.502 50 0 HHAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000015731267 568981934 /nfs/dbraw/zinc/98/19/34/568981934.db2.gz QKPQEZIWUJWDIS-UHFFFAOYSA-N 1 0 405.546 3.886 50 0 HHAARO CCCCn1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2c1=O ZINC000008342102 568993514 /nfs/dbraw/zinc/99/35/14/568993514.db2.gz HBHWPOSQLNPEQH-UHFFFAOYSA-N 1 0 418.541 3.722 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCCCCC4)c(C)c32)CC1 ZINC000015776121 568999720 /nfs/dbraw/zinc/99/97/20/568999720.db2.gz IHPQLOSJORBIQH-UHFFFAOYSA-N 1 0 401.580 3.548 50 0 HHAARO COc1ccc2c(c1)C[C@@H](C(=O)NCC1CC[NH+](Cc3ccc(C)cc3)CC1)CO2 ZINC000015786262 569007276 /nfs/dbraw/zinc/00/72/76/569007276.db2.gz CGBBNTVESNXEFA-JOCHJYFZSA-N 1 0 408.542 3.583 50 0 HHAARO COc1cccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2CCO)c1 ZINC000104379502 569008485 /nfs/dbraw/zinc/00/84/85/569008485.db2.gz XOEVNSNSUCFBOV-HXUWFJFHSA-N 1 0 408.464 3.783 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(SC)cc3)C[C@H]2CCO)cc1C ZINC000104459126 569008595 /nfs/dbraw/zinc/00/85/95/569008595.db2.gz IDSPXTPRHQLSJC-OAQYLSRUSA-N 1 0 400.588 3.794 50 0 HHAARO Cc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@H]2CCO)cc1 ZINC000104469133 569008848 /nfs/dbraw/zinc/00/88/48/569008848.db2.gz PZCSKNDBULZYLA-HSZRJFAPSA-N 1 0 408.521 3.593 50 0 HHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000012881687 569018911 /nfs/dbraw/zinc/01/89/11/569018911.db2.gz PDABGUYUMGAUGG-UHFFFAOYSA-N 1 0 415.541 3.810 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)Cc1ccccc1 ZINC000012910492 569021505 /nfs/dbraw/zinc/02/15/05/569021505.db2.gz HDZHJBPARLMSJE-NRFANRHFSA-N 1 0 411.546 3.865 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000016027007 569026633 /nfs/dbraw/zinc/02/66/33/569026633.db2.gz XELZJZRNKWSHBN-WEBUEUPWSA-N 1 0 411.889 3.619 50 0 HHAARO CC(C)c1ccc(NC(=O)C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035380447 569034522 /nfs/dbraw/zinc/03/45/22/569034522.db2.gz JPUSPCZMAFUGHR-QHCPKHFHSA-N 1 0 405.542 3.702 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)NC2CCCCC2)CC1 ZINC000035399191 569035273 /nfs/dbraw/zinc/03/52/73/569035273.db2.gz ZCVFIAICCPPNNS-IBGZPJMESA-N 1 0 406.615 3.512 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)c1cccc(-c2cnc(N3CCCCC3)nc2)c1 ZINC000035455655 569037849 /nfs/dbraw/zinc/03/78/49/569037849.db2.gz OFDSAMLNCSFXJB-UHFFFAOYSA-N 1 0 407.562 3.740 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2F)C[C@H](C)O1 ZINC000229828377 569040674 /nfs/dbraw/zinc/04/06/74/569040674.db2.gz WQTKMQITCGZKGF-ZIFCJYIRSA-N 1 0 404.530 3.531 50 0 HHAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1 ZINC000035528934 569044118 /nfs/dbraw/zinc/04/41/18/569044118.db2.gz ZNABAHLASUKEKO-UHFFFAOYSA-N 1 0 422.573 3.959 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[NH+]4CCCCC4)cc32)c1 ZINC000035559976 569044879 /nfs/dbraw/zinc/04/48/79/569044879.db2.gz KUUMCOOZWSHXBM-UHFFFAOYSA-N 1 0 406.530 3.699 50 0 HHAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2CCO)cc1 ZINC000036385583 569052249 /nfs/dbraw/zinc/05/22/49/569052249.db2.gz MEZUOHRSBTYQEF-HSZRJFAPSA-N 1 0 418.541 3.646 50 0 HHAARO COCCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000036097206 569090273 /nfs/dbraw/zinc/09/02/73/569090273.db2.gz HZSIGRCNSKUDIZ-LJQANCHMSA-N 1 0 423.937 3.636 50 0 HHAARO O[C@H](COc1ccccc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102559 569092053 /nfs/dbraw/zinc/09/20/53/569092053.db2.gz QSXKVNGHHPSOIW-NRFANRHFSA-N 1 0 409.457 3.997 50 0 HHAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145908 569098627 /nfs/dbraw/zinc/09/86/27/569098627.db2.gz WYVCMRDEPCENNA-YADHBBJMSA-N 1 0 414.521 3.997 50 0 HHAARO CC[C@@H](C)[N@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccco1 ZINC000006724928 569100758 /nfs/dbraw/zinc/10/07/58/569100758.db2.gz OHHRDNBXMRTJGU-QGZVFWFLSA-N 1 0 410.518 3.944 50 0 HHAARO COc1ccc(-c2noc(-c3ccc(NCCC[NH+]4CCC(C)CC4)nn3)n2)cc1 ZINC000064838041 569106117 /nfs/dbraw/zinc/10/61/17/569106117.db2.gz HTLQMPJMCIYVQF-UHFFFAOYSA-N 1 0 408.506 3.736 50 0 HHAARO CCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(Cl)cc2)CC1 ZINC000036340734 569141532 /nfs/dbraw/zinc/14/15/32/569141532.db2.gz BYCNEWRDZBYGOB-FQEVSTJZSA-N 1 0 416.997 3.875 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989578 569145975 /nfs/dbraw/zinc/14/59/75/569145975.db2.gz YIJAFKWUBGUOBK-LJQANCHMSA-N 1 0 407.562 3.738 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000006851073 569154561 /nfs/dbraw/zinc/15/45/61/569154561.db2.gz XGEGQKACCTVBIG-HSZRJFAPSA-N 1 0 417.509 3.628 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000007263653 569230807 /nfs/dbraw/zinc/23/08/07/569230807.db2.gz MHELJOCDBZXDRF-QFIPXVFZSA-N 1 0 420.509 3.997 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065475739 569231539 /nfs/dbraw/zinc/23/15/39/569231539.db2.gz OKNFMVFGSIIFFI-IBGZPJMESA-N 1 0 410.537 3.747 50 0 HHAARO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065500304 569232580 /nfs/dbraw/zinc/23/25/80/569232580.db2.gz WRDANEXHDSZJIY-OAQYLSRUSA-N 1 0 410.537 3.747 50 0 HHAARO O=S1(=O)CC[C@]2(C1)C[C@H]([NH2+]Cc1ccc(Oc3cc(F)cc(F)c3)cc1)CCO2 ZINC000170592036 569240726 /nfs/dbraw/zinc/24/07/26/569240726.db2.gz HUVCSEQOPXJLRC-WIYYLYMNSA-N 1 0 423.481 3.583 50 0 HHAARO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000170597467 569242135 /nfs/dbraw/zinc/24/21/35/569242135.db2.gz FLBPPPZJVZBPKC-GOTSBHOMSA-N 1 0 423.557 3.691 50 0 HHAARO CCC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000170601578 569243178 /nfs/dbraw/zinc/24/31/78/569243178.db2.gz CIJWEBHZLAOZOK-UHFFFAOYSA-N 1 0 415.456 3.621 50 0 HHAARO COc1ccc([C@H]([NH2+]CCn2ccnc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606803 569244762 /nfs/dbraw/zinc/24/47/62/569244762.db2.gz LCQZLOFGCQDHQS-PMACEKPBSA-N 1 0 400.523 3.622 50 0 HHAARO COC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NC1CC[NH+](C)CC1 ZINC000013775643 569257583 /nfs/dbraw/zinc/25/75/83/569257583.db2.gz NUGQJHXMGLMZGQ-UHFFFAOYSA-N 1 0 403.573 3.506 50 0 HHAARO COc1cn(CC(=O)Nc2ccccc2C(F)(F)F)c(C[NH+]2CCCCC2)cc1=O ZINC000016974439 569269679 /nfs/dbraw/zinc/26/96/79/569269679.db2.gz NEIPTNOAWXIZCP-UHFFFAOYSA-N 1 0 423.435 3.500 50 0 HHAARO COc1ccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)cc1F ZINC000237337364 569281954 /nfs/dbraw/zinc/28/19/54/569281954.db2.gz YZEKDQBCPQDVAZ-UHFFFAOYSA-N 1 0 409.299 3.735 50 0 HHAARO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007587830 569283540 /nfs/dbraw/zinc/28/35/40/569283540.db2.gz RUOAGGNHMSYGST-PBHICJAKSA-N 1 0 407.440 3.879 50 0 HHAARO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@H]3CCCN3C(C)=O)o2)cc1 ZINC000252477544 569288526 /nfs/dbraw/zinc/28/85/26/569288526.db2.gz QLZSJWNOJVEJFI-LEWJYISDSA-N 1 0 412.534 3.891 50 0 HHAARO COC[C@@](C)([NH2+]C[C@@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 ZINC000252493897 569290699 /nfs/dbraw/zinc/29/06/99/569290699.db2.gz NGBKYQCQZOFVHC-HYBUGGRVSA-N 1 0 413.562 3.916 50 0 HHAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4cccs4)CC3)CC2)n1 ZINC000252501909 569291220 /nfs/dbraw/zinc/29/12/20/569291220.db2.gz ULHLRDJNOBCHHS-UHFFFAOYSA-N 1 0 410.509 3.949 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccccc1N1CCCC1=O ZINC000007815141 569312761 /nfs/dbraw/zinc/31/27/61/569312761.db2.gz GLTMVAGHSVFLES-UHFFFAOYSA-N 1 0 411.933 3.861 50 0 HHAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819681 569320820 /nfs/dbraw/zinc/32/08/20/569320820.db2.gz BHNJLBKCAWMABK-QFIPXVFZSA-N 1 0 405.627 3.523 50 0 HHAARO COC(=O)c1ccc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000055182723 569392585 /nfs/dbraw/zinc/39/25/85/569392585.db2.gz XFTGIUVHKCGTJK-JOCHJYFZSA-N 1 0 410.558 3.868 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1nc2c3c(nc(C)n2n1)sc1c3[C@H](C)CCC1 ZINC000002435273 569399491 /nfs/dbraw/zinc/39/94/91/569399491.db2.gz UILPEXVXZNZJAK-CYBMUJFWSA-N 1 0 414.579 3.549 50 0 HHAARO CC(C)NC(=O)NCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007941330 569401929 /nfs/dbraw/zinc/40/19/29/569401929.db2.gz UKENQRKUIVULJQ-UHFFFAOYSA-N 1 0 422.573 3.810 50 0 HHAARO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012811357 569403786 /nfs/dbraw/zinc/40/37/86/569403786.db2.gz XFXVSRIMEZAMTE-MEWQITQSSA-N 1 0 403.526 3.780 50 0 HHAARO Cc1ccnc(NC(=O)C2CC[NH+](CCC(=O)Nc3ccc4c(c3)CCC4)CC2)c1 ZINC000078748130 569420230 /nfs/dbraw/zinc/42/02/30/569420230.db2.gz AOBWFSZPPYZYLB-UHFFFAOYSA-N 1 0 406.530 3.558 50 0 HHAARO Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c12 ZINC000079190497 569429210 /nfs/dbraw/zinc/42/92/10/569429210.db2.gz FKPCXJVUIYQVBY-SIKLNZKXSA-N 1 0 417.557 3.938 50 0 biogenic HHAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCCC2)cc1 ZINC000008867643 571129275 /nfs/dbraw/zinc/12/92/75/571129275.db2.gz DGKIEZUGTSMSOJ-NRFANRHFSA-N 1 0 406.482 3.759 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)[NH+]2CCCC2)cc1 ZINC000008879354 571131167 /nfs/dbraw/zinc/13/11/67/571131167.db2.gz RTPVDTPQRNUXNP-HSZRJFAPSA-N 1 0 404.514 3.507 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000040071870 571152311 /nfs/dbraw/zinc/15/23/11/571152311.db2.gz KHTFWAWYEABQBL-OAQYLSRUSA-N 1 0 407.518 3.718 50 0 HHAARO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000008918740 571154645 /nfs/dbraw/zinc/15/46/45/571154645.db2.gz NBDLIGKZXIHQKR-UHFFFAOYSA-N 1 0 400.450 3.674 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC000040103947 571164732 /nfs/dbraw/zinc/16/47/32/571164732.db2.gz DYAIGMVPEKFDGV-UHFFFAOYSA-N 1 0 400.498 3.640 50 0 HHAARO CC(C)(C)CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000040157068 571203920 /nfs/dbraw/zinc/20/39/20/571203920.db2.gz QUPZQRHSHNRGDC-IBGZPJMESA-N 1 0 419.997 3.773 50 0 HHAARO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cc2)SCCO1 ZINC000009115278 571224213 /nfs/dbraw/zinc/22/42/13/571224213.db2.gz MDIABGCDXNQEAE-INIZCTEOSA-N 1 0 417.575 3.614 50 0 HHAARO O=c1[nH]c2ccccc2n1C1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000009216628 571237344 /nfs/dbraw/zinc/23/73/44/571237344.db2.gz IGPBFBWIEGKJFL-UHFFFAOYSA-N 1 0 403.486 3.649 50 0 HHAARO CCOc1ccc(-c2cn3c4ccc(C(=O)NCC[NH+](C)C)cc4sc3n2)cc1 ZINC000009406615 571255506 /nfs/dbraw/zinc/25/55/06/571255506.db2.gz LQCRPBHZVUZJGR-UHFFFAOYSA-N 1 0 408.527 3.906 50 0 HHAARO COc1ccc(-n2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000009433773 571258629 /nfs/dbraw/zinc/25/86/29/571258629.db2.gz MYHKXXARHDPVAU-SFHVURJKSA-N 1 0 419.525 3.604 50 0 HHAARO O=C(CSc1nnnn1C1CCCCC1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000009949689 571291363 /nfs/dbraw/zinc/29/13/63/571291363.db2.gz DCYVMEDIDRVXPU-UHFFFAOYSA-N 1 0 400.552 3.505 50 0 HHAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 ZINC000010214428 571296779 /nfs/dbraw/zinc/29/67/79/571296779.db2.gz CXEDLZKMBBJOOW-IBGZPJMESA-N 1 0 421.497 3.779 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000010233204 571297704 /nfs/dbraw/zinc/29/77/04/571297704.db2.gz QIAXQKFYBSWGRQ-OAQYLSRUSA-N 1 0 424.472 3.828 50 0 HHAARO CCOc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc1 ZINC000010333520 571300459 /nfs/dbraw/zinc/30/04/59/571300459.db2.gz BGAVHLHWPHWZSG-QFIPXVFZSA-N 1 0 405.498 3.596 50 0 HHAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+](C)C ZINC000010333505 571300462 /nfs/dbraw/zinc/30/04/62/571300462.db2.gz UAGKORUJYGJDOP-OAQYLSRUSA-N 1 0 405.498 3.514 50 0 HHAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000010334054 571300613 /nfs/dbraw/zinc/30/06/13/571300613.db2.gz KIAOCLLHAVETCZ-QFIPXVFZSA-N 1 0 405.473 3.871 50 0 HHAARO Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NC[C@H](C)[NH+]3CCCC3)cc12 ZINC000071811796 571301988 /nfs/dbraw/zinc/30/19/88/571301988.db2.gz YBZZPHUVSGLOBQ-AWEZNQCLSA-N 1 0 400.523 3.808 50 0 HHAARO COc1cc(COCC2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)cc(OC)c1 ZINC000077191420 571312218 /nfs/dbraw/zinc/31/22/18/571312218.db2.gz MEFVMZBIMZSQMT-UHFFFAOYSA-N 1 0 424.541 3.522 50 0 HHAARO Cn1cc([C@H](CNC(=O)c2cc(-c3ccc(F)cc3)nn2C)[NH+](C)C)c2ccccc21 ZINC000077200996 571313298 /nfs/dbraw/zinc/31/32/98/571313298.db2.gz MALZCGNYDYQILA-QHCPKHFHSA-N 1 0 419.504 3.751 50 0 HHAARO Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@@H]([N@H+](C)CCc2ccccn2)[C@H](O)C1 ZINC000011821113 962199342 /nfs/dbraw/zinc/19/93/42/962199342.db2.gz NSEWHNYXGGHLRF-FGZHOGPDSA-N 1 0 412.965 3.634 50 0 HHAARO O=C(Nc1cccc(N2CCNC2=O)c1)[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2 ZINC000011841269 962200508 /nfs/dbraw/zinc/20/05/08/962200508.db2.gz FLJUGRMWZQIZJI-IBGZPJMESA-N 1 0 410.543 3.519 50 0 HHAARO COc1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)cc(OC)c1 ZINC000012004149 962221448 /nfs/dbraw/zinc/22/14/48/962221448.db2.gz VANOVDHETJXVEQ-QHCPKHFHSA-N 1 0 408.542 3.665 50 0 HHAARO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012056109 962231207 /nfs/dbraw/zinc/23/12/07/962231207.db2.gz MKRVPXIFQNTXNH-HXUWFJFHSA-N 1 0 417.509 3.953 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000012112097 962242456 /nfs/dbraw/zinc/24/24/56/962242456.db2.gz VAQFHYQQIMVYPT-OAQYLSRUSA-N 1 0 419.997 3.502 50 0 HHAARO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](C4CCCC4)CC3)c2C1=O ZINC000012152146 962246094 /nfs/dbraw/zinc/24/60/94/962246094.db2.gz FBVWBPWHHWZMMQ-OAHLLOKOSA-N 1 0 410.543 3.565 50 0 HHAARO CCc1ccc(C[NH+]2CCC([C@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000012158359 962247294 /nfs/dbraw/zinc/24/72/94/962247294.db2.gz CNYIXIZYMBMPLT-VWLOTQADSA-N 1 0 421.541 3.532 50 0 HHAARO CC(C)c1c(C(=O)N(C)CCC[NH+](C)C)cnn1-c1nccc(-c2ccccc2F)n1 ZINC000012279100 962265621 /nfs/dbraw/zinc/26/56/21/962265621.db2.gz KHFHUZSADIYVEA-UHFFFAOYSA-N 1 0 424.524 3.616 50 0 HHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(O)c(Cl)c3)[N@@H+]3CCC[C@@]23C1=O ZINC000012299151 962267357 /nfs/dbraw/zinc/26/73/57/962267357.db2.gz FPVFUTWVQPGHPI-LTMIRXACSA-N 1 0 412.917 3.992 50 0 HHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000012306329 962268453 /nfs/dbraw/zinc/26/84/53/962268453.db2.gz ZCUMKJZEGNTIHV-KRWDZBQOSA-N 1 0 411.930 3.549 50 0 HHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)c1[nH]nc2ccccc21 ZINC000012317232 962270164 /nfs/dbraw/zinc/27/01/64/962270164.db2.gz KXDGRJDPJUCYBU-HNNXBMFYSA-N 1 0 405.527 3.815 50 0 HHAARO Cc1cc(S(=O)(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccn3)C2)c(C)cc1Cl ZINC000012434546 962278499 /nfs/dbraw/zinc/27/84/99/962278499.db2.gz LAPZPUGWSBIQQC-LJQANCHMSA-N 1 0 421.994 3.679 50 0 HHAARO Fc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccn4-c4ncccn4)C3)C2)cc1 ZINC000012463583 962283689 /nfs/dbraw/zinc/28/36/89/962283689.db2.gz QFZXDRNGHJGDHT-DEOSSOPVSA-N 1 0 405.521 3.895 50 0 HHAARO COc1cc2c(cc1OC)C[N@@H+]([C@@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 ZINC000012470205 962285962 /nfs/dbraw/zinc/28/59/62/962285962.db2.gz BUOAUVZTDOBLNV-IHHMQQGQSA-N 1 0 412.555 3.828 50 0 HHAARO O=C(NC1CCOCC1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012578939 962296563 /nfs/dbraw/zinc/29/65/63/962296563.db2.gz MRFPBIYLNXSXCQ-UHFFFAOYSA-N 1 0 408.542 3.681 50 0 HHAARO COc1ncc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000012596614 962298891 /nfs/dbraw/zinc/29/88/91/962298891.db2.gz OBSPHOBRTDVXET-XMMPIXPASA-N 1 0 408.546 3.737 50 0 HHAARO CSc1ncccc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012593916 962299194 /nfs/dbraw/zinc/29/91/94/962299194.db2.gz YCJJWPAOVWJLSV-UHFFFAOYSA-N 1 0 401.551 3.969 50 0 HHAARO CCn1cc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(C)n1 ZINC000012708724 962315854 /nfs/dbraw/zinc/31/58/54/962315854.db2.gz BWGASRSRGOFNDJ-NRFANRHFSA-N 1 0 410.606 3.539 50 0 HHAARO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3c(c(C(=O)NCc4ccccc4)nn3C)C2)o1 ZINC000014748277 962567893 /nfs/dbraw/zinc/56/78/93/962567893.db2.gz PUNKYBXDPMHCBG-KRWDZBQOSA-N 1 0 406.530 3.803 50 0 HHAARO COC(=O)CCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000014951311 962612629 /nfs/dbraw/zinc/61/26/29/962612629.db2.gz RZVIGFZDOZYRRD-UHFFFAOYSA-N 1 0 414.590 3.974 50 0 HHAARO Cc1cc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3ccsc3)c2)n(C)n1 ZINC000014959019 962614718 /nfs/dbraw/zinc/61/47/18/962614718.db2.gz KTLAPJWRTHQCGA-KRWDZBQOSA-N 1 0 412.559 3.619 50 0 HHAARO Cc1cc(C(=O)NC[C@@H](C)Oc2cccc(C[N@H+](C)Cc3ccsc3)c2)n(C)n1 ZINC000014959023 962614992 /nfs/dbraw/zinc/61/49/92/962614992.db2.gz KTLAPJWRTHQCGA-QGZVFWFLSA-N 1 0 412.559 3.619 50 0 HHAARO COc1ccc(/C=C/CN2CCOc3ccc(C4(O)CC[NH+](C)CC4)cc3C2)cc1 ZINC000015002191 962623307 /nfs/dbraw/zinc/62/33/07/962623307.db2.gz BFXMHAZNAQRPSP-ONEGZZNKSA-N 1 0 408.542 3.516 50 0 HHAARO Cc1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c(=O)[nH]c1C ZINC000015065124 962645819 /nfs/dbraw/zinc/64/58/19/962645819.db2.gz FQRPTOYGGGFLFM-UHFFFAOYSA-N 1 0 415.965 3.672 50 0 HHAARO Cc1ccccc1CNC(=O)c1cccc(OC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000019113973 963349329 /nfs/dbraw/zinc/34/93/29/963349329.db2.gz XHVFYUKHKRSOFA-UHFFFAOYSA-N 1 0 421.585 3.862 50 0 HHAARO COc1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC ZINC000020994948 963410884 /nfs/dbraw/zinc/41/08/84/963410884.db2.gz CBIPHGRENOYLIG-OAHLLOKOSA-N 1 0 413.449 3.891 50 0 HHAARO Cn1cc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)c(-c2ccccc2)n1 ZINC000022852998 963729269 /nfs/dbraw/zinc/72/92/69/963729269.db2.gz UQECSUXYMZJBMK-RUZDIDTESA-N 1 0 418.585 3.589 50 0 HHAARO COc1ccc(N[C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000055325164 965818126 /nfs/dbraw/zinc/81/81/26/965818126.db2.gz HFHVUMHYWXULLZ-KRWDZBQOSA-N 1 0 402.564 3.837 50 0 HHAARO Cc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2cccs2)cc1 ZINC000101215046 969195573 /nfs/dbraw/zinc/19/55/73/969195573.db2.gz YKIABGDNPRUMTP-UHFFFAOYSA-N 1 0 402.633 3.893 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@H](COc3ccccc3C(=O)NC3CC3)C2)c(OC)c1 ZINC000169775434 970478292 /nfs/dbraw/zinc/47/82/92/970478292.db2.gz LNNCLLMEPFWAEH-SFHVURJKSA-N 1 0 424.541 3.887 50 0 HHAARO Cc1ccsc1C[NH+]1CCC2(CC1)C[C@@H](CC(=O)NCc1ccncc1)CCO2 ZINC000169774178 970478526 /nfs/dbraw/zinc/47/85/26/970478526.db2.gz DCTYGLFRUWFCFJ-HXUWFJFHSA-N 1 0 413.587 3.919 50 0 HHAARO O=C(c1ccncc1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779208 970479499 /nfs/dbraw/zinc/47/94/99/970479499.db2.gz ZNVXZGACTCXWII-HSZRJFAPSA-N 1 0 405.542 3.900 50 0 HHAARO COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@@H]([NH+]3CCCCC3)CCO4)CC2)cc1 ZINC000169784591 970482100 /nfs/dbraw/zinc/48/21/00/970482100.db2.gz ZSQVYUPLPNGMQJ-NRFANRHFSA-N 1 0 412.574 3.753 50 0 HHAARO CC[N@H+](CCNC(=O)[C@@]12CCC=C1N(C1CCCC1)C(=O)CC2)Cc1ccccc1 ZINC000169788444 970483173 /nfs/dbraw/zinc/48/31/73/970483173.db2.gz AEWQJEBDDJWDGF-RUZDIDTESA-N 1 0 409.574 3.854 50 0 HHAARO Cc1ncsc1C[NH+]1CCC(N2C(=O)[C@@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257187298 970621853 /nfs/dbraw/zinc/62/18/53/970621853.db2.gz ALXPYYSLCBNEIK-HXUWFJFHSA-N 1 0 403.592 3.756 50 0 HHAARO Cc1ncsc1C[NH+]1CCC(N2C(=O)[C@H](OCC3CC3)C23CCCCC3)CC1 ZINC000257187296 970622283 /nfs/dbraw/zinc/62/22/83/970622283.db2.gz ALXPYYSLCBNEIK-FQEVSTJZSA-N 1 0 403.592 3.756 50 0 HHAARO O=S(=O)(NCc1ccccc1C[NH+]1CCCCC1)c1c[nH]c2cccc(F)c21 ZINC000474587847 995546850 /nfs/dbraw/zinc/54/68/50/995546850.db2.gz ZVJAWXXNYNFJCX-UHFFFAOYSA-N 1 0 401.507 3.771 50 0 HHAARO O=C(COc1ccc(Cl)cc1)N1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004109086 132271244 /nfs/dbraw/zinc/27/12/44/132271244.db2.gz URYPJVDDBYAQBQ-UHFFFAOYSA-N 1 0 413.949 3.532 50 0 HHAARO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004917841 132294259 /nfs/dbraw/zinc/29/42/59/132294259.db2.gz GDYYOZDPDCUPME-CALCHBBNSA-N 1 0 412.530 3.839 50 0 HHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)CCC(=O)N1CCSc2ccccc21 ZINC000006857500 132319187 /nfs/dbraw/zinc/31/91/87/132319187.db2.gz VEXQAPPQCYVQTI-HDICACEKSA-N 1 0 403.592 3.675 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4ccsc4)no3)cc2)CC1 ZINC000008193708 132328636 /nfs/dbraw/zinc/32/86/36/132328636.db2.gz PUZFRLFGOQRCTL-UHFFFAOYSA-N 1 0 411.531 3.511 50 0 HHAARO CC(C)c1nc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4)CC3)cc2o1 ZINC000008611388 132331627 /nfs/dbraw/zinc/33/16/27/132331627.db2.gz LMXAHTTUTWLYAB-UHFFFAOYSA-N 1 0 406.530 3.893 50 0 HHAARO FC(F)(F)c1ccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccccn4)CC3)C2)nc1 ZINC000011872951 132351617 /nfs/dbraw/zinc/35/16/17/132351617.db2.gz VYUOFMDVSFBEJO-HXUWFJFHSA-N 1 0 419.495 3.718 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)cc2)CC1 ZINC000012557709 132363848 /nfs/dbraw/zinc/36/38/48/132363848.db2.gz CVIHPOGIGGHCPE-DEOSSOPVSA-N 1 0 418.541 3.731 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c(C)c2)CC1 ZINC000012608051 132365078 /nfs/dbraw/zinc/36/50/78/132365078.db2.gz ASFFNOZJVWRGNJ-QHCPKHFHSA-N 1 0 423.557 3.947 50 0 HHAARO O=C(c1ccc(N2CCC([NH2+]C3CCOCC3)CC2)cc1)N1CCc2ccccc2C1 ZINC000015001874 132460876 /nfs/dbraw/zinc/46/08/76/132460876.db2.gz VHGVXGPJSAEHSX-UHFFFAOYSA-N 1 0 419.569 3.623 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045832290 519798307 /nfs/dbraw/zinc/79/83/07/519798307.db2.gz PNTYBFRLBIMNDG-JOCHJYFZSA-N 1 0 417.569 3.695 50 0 HHAARO CCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2I)CC1 ZINC000043006234 519846602 /nfs/dbraw/zinc/84/66/02/519846602.db2.gz LOKZDGWMAJIWKS-UHFFFAOYSA-N 1 0 406.695 3.549 50 0 HHAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC1)=CC2 ZINC000020601700 520643844 /nfs/dbraw/zinc/64/38/44/520643844.db2.gz QZXCTIBFRFRCNV-URXFXBBRSA-N 1 0 424.585 3.995 50 0 HHAARO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000032759398 520839922 /nfs/dbraw/zinc/83/99/22/520839922.db2.gz IPVDHDWVKHKXMX-SFHVURJKSA-N 1 0 414.930 3.849 50 0 HHAARO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(OC)c1 ZINC000032759401 520868713 /nfs/dbraw/zinc/86/87/13/520868713.db2.gz IPVDHDWVKHKXMX-GOSISDBHSA-N 1 0 414.930 3.849 50 0 HHAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000032951820 521001347 /nfs/dbraw/zinc/00/13/47/521001347.db2.gz DELYEIHMYJUCMS-UHFFFAOYSA-N 1 0 404.498 3.838 50 0 HHAARO CCC(=O)Nc1nc2ccc(CCC(=O)NCC[N@H+](C)Cc3ccccc3)cc2s1 ZINC000032959480 521230861 /nfs/dbraw/zinc/23/08/61/521230861.db2.gz HXZCFKOTRVRRTL-UHFFFAOYSA-N 1 0 424.570 3.826 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)NCc3ccc(Cl)cc3)c(C)c2)CC1 ZINC000032772058 521699327 /nfs/dbraw/zinc/69/93/27/521699327.db2.gz JHPJEHDADUFMQO-GOSISDBHSA-N 1 0 414.981 3.907 50 0 HHAARO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@@H]1CCc2ccccc21 ZINC000029485918 522497497 /nfs/dbraw/zinc/49/74/97/522497497.db2.gz XEIPDXWWCNSVLR-GOSISDBHSA-N 1 0 415.419 3.844 50 0 HHAARO C[N@H+](CC(=O)Nc1cccc(I)c1)[C@H]1CCc2ccccc21 ZINC000029483706 522512056 /nfs/dbraw/zinc/51/20/56/522512056.db2.gz RYADEAPQVOSKCF-KRWDZBQOSA-N 1 0 406.267 3.849 50 0 HHAARO COc1cc2c(cc1OC)CN(C(=O)NCc1ccc(C[NH+]3CCCC3)cc1)CC2 ZINC000032870557 523028703 /nfs/dbraw/zinc/02/87/03/523028703.db2.gz JDIITYAYBJJXLG-UHFFFAOYSA-N 1 0 409.530 3.568 50 0 HHAARO CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2nc3ccccc3nc21 ZINC000032900585 523880861 /nfs/dbraw/zinc/88/08/61/523880861.db2.gz FBHFJDTZTQRZHO-UHFFFAOYSA-N 1 0 401.514 3.712 50 0 HHAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)n1 ZINC000040104873 524496047 /nfs/dbraw/zinc/49/60/47/524496047.db2.gz XLOLJMYOTNIWER-NFBKMPQASA-N 1 0 421.545 3.522 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)c1cncn1-c1ccc(F)cc1)[NH+]1CCCC1 ZINC000032841468 524732837 /nfs/dbraw/zinc/73/28/37/524732837.db2.gz IBXSJIBJRPLSOS-HXUWFJFHSA-N 1 0 408.477 3.587 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)/C=C/c1cnn(-c2ccccc2)c1)[NH+]1CCCC1 ZINC000032902426 524791556 /nfs/dbraw/zinc/79/15/56/524791556.db2.gz SQSGALJBOWSLFV-ZVQQDINOSA-N 1 0 416.525 3.847 50 0 HHAARO O=C(C1CC[NH+](C2CCN(Cc3cccc4cnccc43)CC2)CC1)N1CCCC1 ZINC000042489216 526303459 /nfs/dbraw/zinc/30/34/59/526303459.db2.gz KHPRRKZXXURWJQ-UHFFFAOYSA-N 1 0 406.574 3.534 50 0 HHAARO O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H]1C(=O)C1CC[NH2+]CC1 ZINC000074937957 526418940 /nfs/dbraw/zinc/41/89/40/526418940.db2.gz SYTHXYZVTLCILY-QHCPKHFHSA-N 1 0 404.510 3.969 50 0 HHAARO O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1)Nc1cccc(Cl)c1 ZINC000032870913 526482196 /nfs/dbraw/zinc/48/21/96/526482196.db2.gz IRYBFFFGOHZTLC-UHFFFAOYSA-N 1 0 401.894 3.725 50 0 HHAARO O=C(Cn1ccc2cc(Br)ccc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000043746882 527380069 /nfs/dbraw/zinc/38/00/69/527380069.db2.gz SQCUUNGZPMCNPU-WMZOPIPTSA-N 1 0 404.352 3.785 50 0 HHAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000000795468 557082890 /nfs/dbraw/zinc/08/28/90/557082890.db2.gz GATHMCLYZHNDDY-UHFFFAOYSA-N 1 0 416.949 3.928 50 0 HHAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCc4ccccn4)cc3)CC2)cc1C ZINC000034668107 557361609 /nfs/dbraw/zinc/36/16/09/557361609.db2.gz YVEZRGPOXKXWJV-UHFFFAOYSA-N 1 0 414.553 3.951 50 0 HHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1cccc(F)c1 ZINC000034685310 557388316 /nfs/dbraw/zinc/38/83/16/557388316.db2.gz FPAFALZLCHGXMR-UHFFFAOYSA-N 1 0 417.528 3.849 50 0 HHAARO COc1cc(C[NH2+]CCO)cc(Br)c1OCc1ccccc1Cl ZINC000002862432 557410906 /nfs/dbraw/zinc/41/09/06/557410906.db2.gz FTJTUQRVWOVUOA-UHFFFAOYSA-N 1 0 400.700 3.772 50 0 HHAARO CCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)CC(C)C ZINC000034814882 557465545 /nfs/dbraw/zinc/46/55/45/557465545.db2.gz IMPDMVOLGOYBGF-UHFFFAOYSA-N 1 0 411.594 3.717 50 0 HHAARO C[NH+]1CCN([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794787 557822287 /nfs/dbraw/zinc/82/22/87/557822287.db2.gz HTYRANFZFSFGNP-IBGZPJMESA-N 1 0 410.320 3.851 50 0 HHAARO Cc1cc(C)cc(N2CCC([N@@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)CC2)c1 ZINC000019743121 558263520 /nfs/dbraw/zinc/26/35/20/558263520.db2.gz RBMFTKGRPXPNFH-VWLOTQADSA-N 1 0 422.617 3.544 50 0 HHAARO Cc1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)[nH]n1 ZINC000011664158 558267629 /nfs/dbraw/zinc/26/76/29/558267629.db2.gz XACQKGMPYLGMDL-UHFFFAOYSA-N 1 0 417.557 3.976 50 0 HHAARO c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850332 558295395 /nfs/dbraw/zinc/29/53/95/558295395.db2.gz MEVNRZDQSGVIQU-DEOSSOPVSA-N 1 0 401.558 3.659 50 0 HHAARO COc1cc(F)ccc1C[NH+]1CCC(C(=O)Nc2ccc(-n3cccn3)cc2)CC1 ZINC000019866904 558298817 /nfs/dbraw/zinc/29/88/17/558298817.db2.gz OEGXEZHLEMPXLG-UHFFFAOYSA-N 1 0 408.477 3.871 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000019881356 558301044 /nfs/dbraw/zinc/30/10/44/558301044.db2.gz FTUCIZNIMGFHOE-LKZQPVPRSA-N 1 0 403.526 3.905 50 0 HHAARO COc1ccc(CC(=O)NC[C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000011938556 558301896 /nfs/dbraw/zinc/30/18/96/558301896.db2.gz CFQDNYJQZZAFRZ-FQEVSTJZSA-N 1 0 405.542 3.758 50 0 HHAARO CSc1ccccc1C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000011967539 558304514 /nfs/dbraw/zinc/30/45/14/558304514.db2.gz JWSBWKAMJHMGIE-LJQANCHMSA-N 1 0 411.571 3.747 50 0 HHAARO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1ccc3ccccc3c1)CC2 ZINC000011972320 558304981 /nfs/dbraw/zinc/30/49/81/558304981.db2.gz FSRFRQJDNLZVKY-KRWDZBQOSA-N 1 0 415.497 3.574 50 0 HHAARO Cc1ccc(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000012054788 558315446 /nfs/dbraw/zinc/31/54/46/558315446.db2.gz PRDWOIUOIQIZSD-DEOSSOPVSA-N 1 0 420.557 3.917 50 0 HHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](C2CCSCC2)CC1 ZINC000012072531 558317784 /nfs/dbraw/zinc/31/77/84/558317784.db2.gz FYYWRMJJYXQDHF-UHFFFAOYSA-N 1 0 414.575 3.823 50 0 HHAARO CSCCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012073158 558318263 /nfs/dbraw/zinc/31/82/63/558318263.db2.gz TUULIMNMALDMND-QHCPKHFHSA-N 1 0 416.631 3.627 50 0 HHAARO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4F)CC3)C2)c1 ZINC000020109980 558335276 /nfs/dbraw/zinc/33/52/76/558335276.db2.gz KYLZADTZPJMZPS-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO Cc1c(C(=O)N2CC[C@H]([NH+](C)C)C2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000012163129 558342077 /nfs/dbraw/zinc/34/20/77/558342077.db2.gz MMCBKGIYEGWPLE-SFHVURJKSA-N 1 0 423.586 3.821 50 0 HHAARO CCC(CC)C[N@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3ccco3)n2CC1 ZINC000012165490 558342600 /nfs/dbraw/zinc/34/26/00/558342600.db2.gz QTUIYUGOEDPHQE-SFHVURJKSA-N 1 0 401.555 3.683 50 0 HHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)c1 ZINC000020166562 558342975 /nfs/dbraw/zinc/34/29/75/558342975.db2.gz IGLVHPCDDMUATD-FQEVSTJZSA-N 1 0 410.587 3.824 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 ZINC000012192659 558348134 /nfs/dbraw/zinc/34/81/34/558348134.db2.gz HSVDMBYPYUTLGV-SFHVURJKSA-N 1 0 406.505 3.796 50 0 HHAARO Cc1nnsc1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012197410 558350334 /nfs/dbraw/zinc/35/03/34/558350334.db2.gz RYZJNUUULPNGPW-IBGZPJMESA-N 1 0 413.591 3.929 50 0 HHAARO COc1cc(C(=O)NCCOC(C)C)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012203413 558352025 /nfs/dbraw/zinc/35/20/25/558352025.db2.gz WPCWBBRYBFYWTA-UHFFFAOYSA-N 1 0 404.551 3.636 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000020373663 558358729 /nfs/dbraw/zinc/35/87/29/558358729.db2.gz ZOMCYNIDKGXOKU-UHFFFAOYSA-N 1 0 400.526 3.994 50 0 HHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012297653 558367677 /nfs/dbraw/zinc/36/76/77/558367677.db2.gz JDHVZQXTDOOMCP-RMKNXTFCSA-N 1 0 424.541 3.628 50 0 HHAARO CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccc(OC)c3OC)C2)c1 ZINC000012302444 558372071 /nfs/dbraw/zinc/37/20/71/558372071.db2.gz WXJZEYLYZUGOCA-LJQANCHMSA-N 1 0 412.530 3.745 50 0 HHAARO CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(OC[C@@]2(C)CCC[NH2+]C2)nc1 ZINC000012313896 558377548 /nfs/dbraw/zinc/37/75/48/558377548.db2.gz KKFPLTSNDFGXDL-DEOSSOPVSA-N 1 0 404.514 3.671 50 0 HHAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1C ZINC000012315945 558379327 /nfs/dbraw/zinc/37/93/27/558379327.db2.gz JKUZNKPZYCBMNR-HXUWFJFHSA-N 1 0 411.546 3.587 50 0 HHAARO O=C(CCc1ccccc1)NC[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012315937 558379360 /nfs/dbraw/zinc/37/93/60/558379360.db2.gz OAVFQBUNNXJICK-HSZRJFAPSA-N 1 0 402.542 3.833 50 0 HHAARO CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012317975 558381452 /nfs/dbraw/zinc/38/14/52/558381452.db2.gz XHHVFPIFKNSBSN-DEOSSOPVSA-N 1 0 423.557 3.766 50 0 HHAARO C[NH+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000012332551 558385812 /nfs/dbraw/zinc/38/58/12/558385812.db2.gz IKIKLHCVDXAMCT-QFIPXVFZSA-N 1 0 416.525 3.778 50 0 HHAARO CSCCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012373615 558390773 /nfs/dbraw/zinc/39/07/73/558390773.db2.gz TYAAEYJQIKLLIL-JOCHJYFZSA-N 1 0 404.620 3.968 50 0 HHAARO C[C@@H](C[NH+]1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1)c1ccccc1 ZINC000020615405 558392288 /nfs/dbraw/zinc/39/22/88/558392288.db2.gz OPZMHBYBMAVJBL-FQEVSTJZSA-N 1 0 408.542 3.806 50 0 HHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](CC3=Cc4cc(OC)ccc4OC3)C2)c1 ZINC000012386294 558394966 /nfs/dbraw/zinc/39/49/66/558394966.db2.gz NWQCCLJPCLAEDN-VWLOTQADSA-N 1 0 409.526 3.797 50 0 HHAARO Cc1cccn2c(C[N@@H+]3CC[C@H](C4CCCCC4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012434052 558407861 /nfs/dbraw/zinc/40/78/61/558407861.db2.gz SPNPRRBGAOQNNS-FQEVSTJZSA-N 1 0 410.562 3.517 50 0 HHAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@H](C)CSC)CC1 ZINC000012456662 558417543 /nfs/dbraw/zinc/41/75/43/558417543.db2.gz QXAXZXFPJIVYHG-OAHLLOKOSA-N 1 0 403.552 3.924 50 0 HHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(COC)o1 ZINC000012458001 558417954 /nfs/dbraw/zinc/41/79/54/558417954.db2.gz UZCVJDZDRUYTBU-FQEVSTJZSA-N 1 0 414.546 3.851 50 0 HHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000012463871 558419967 /nfs/dbraw/zinc/41/99/67/558419967.db2.gz OOKIZARCQIWRJY-GOSISDBHSA-N 1 0 412.530 3.718 50 0 HHAARO Cc1cc(C)n(-c2cccc(CN3CC[N@H+](Cc4ccccc4C)[C@@H](CCO)C3)c2)n1 ZINC000020906721 558421087 /nfs/dbraw/zinc/42/10/87/558421087.db2.gz BTYXTQTXDHONPF-SANMLTNESA-N 1 0 418.585 3.866 50 0 HHAARO O=C(C1CC[NH+](C2CCN(Cc3ccc(F)cc3Cl)CC2)CC1)N1CCCC1 ZINC000012469797 558421480 /nfs/dbraw/zinc/42/14/80/558421480.db2.gz DYXXNSANCZQOMC-UHFFFAOYSA-N 1 0 407.961 3.778 50 0 HHAARO COc1ccc(-c2ncc(C[NH2+][C@H]3CCCN(Cc4cccc(OC)c4)C3)cn2)cc1 ZINC000020909070 558421795 /nfs/dbraw/zinc/42/17/95/558421795.db2.gz CMUQREJUKUPBLL-QFIPXVFZSA-N 1 0 418.541 3.915 50 0 HHAARO Cc1cnc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)cn1 ZINC000012475769 558422926 /nfs/dbraw/zinc/42/29/26/558422926.db2.gz VOKSEMVMTXWRFM-HSZRJFAPSA-N 1 0 422.573 3.627 50 0 HHAARO CCOC(=O)C1(Cc2cccc(F)c2)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000012572948 558429704 /nfs/dbraw/zinc/42/97/04/558429704.db2.gz JFRYTHFUTWYWOA-UHFFFAOYSA-N 1 0 401.478 3.928 50 0 HHAARO O=C(C1CC[NH+](C2CCN(Cc3ccccc3OC(F)F)CC2)CC1)N1CCCC1 ZINC000012591101 558436015 /nfs/dbraw/zinc/43/60/15/558436015.db2.gz IKTJHOIKIDPQRU-UHFFFAOYSA-N 1 0 421.532 3.587 50 0 HHAARO CCn1nc(C)c(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1C ZINC000012594109 558436940 /nfs/dbraw/zinc/43/69/40/558436940.db2.gz WGYHTASHUZSTRV-QFIPXVFZSA-N 1 0 424.633 3.848 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000012595119 558437464 /nfs/dbraw/zinc/43/74/64/558437464.db2.gz AVIXWNUGZDCXHI-MRXNPFEDSA-N 1 0 410.468 3.823 50 0 HHAARO CCCn1ncc(C[N@@H+]2CCC[C@](Cc3cccc(OC)c3)(C(=O)OCC)C2)c1C ZINC000012707341 558450207 /nfs/dbraw/zinc/45/02/07/558450207.db2.gz UXNPYKVMKYXZSP-XMMPIXPASA-N 1 0 413.562 3.998 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)COc3ccccc3)CC2)c1 ZINC000012713660 558453789 /nfs/dbraw/zinc/45/37/89/558453789.db2.gz QOUIUFUYPGCIHP-GOSISDBHSA-N 1 0 424.541 3.898 50 0 HHAARO CN(Cc1nc(COc2ccccc2)no1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000012715925 558455068 /nfs/dbraw/zinc/45/50/68/558455068.db2.gz VPNFAPNWUVUYAT-UHFFFAOYSA-N 1 0 406.530 3.993 50 0 HHAARO COCc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000012717759 558455768 /nfs/dbraw/zinc/45/57/68/558455768.db2.gz ASKWYPXFBXZFND-LJQANCHMSA-N 1 0 413.514 3.954 50 0 HHAARO Cc1ccc(-n2cc(C[NH2+]CCCN3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012745034 558457813 /nfs/dbraw/zinc/45/78/13/558457813.db2.gz LFGPYMATHYHLRK-UHFFFAOYSA-N 1 0 408.521 3.799 50 0 HHAARO O[C@@H](COc1ccc(F)cc1)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022018943 558458334 /nfs/dbraw/zinc/45/83/34/558458334.db2.gz KCOMSSIOGGUAGX-LJQANCHMSA-N 1 0 400.519 3.598 50 0 HHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)Cc2ccccc2OC)cc1 ZINC000012750133 558458840 /nfs/dbraw/zinc/45/88/40/558458840.db2.gz GBJGOWJBUBEQLV-UHFFFAOYSA-N 1 0 410.558 3.659 50 0 HHAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)no1 ZINC000012758790 558460628 /nfs/dbraw/zinc/46/06/28/558460628.db2.gz VESKWDDISBVSBC-JOCHJYFZSA-N 1 0 411.546 3.825 50 0 HHAARO Cn1cc(C[NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)cn1 ZINC000012760118 558460865 /nfs/dbraw/zinc/46/08/65/558460865.db2.gz AFJCTLZQQAGXEZ-UHFFFAOYSA-N 1 0 416.953 3.789 50 0 HHAARO COc1cc([C@H](c2ccc(C(F)(F)F)cc2)N2CC[NH2+]CC2)cc(OC)c1OC ZINC000022125136 558463583 /nfs/dbraw/zinc/46/35/83/558463583.db2.gz ZDEIQJMNUOZCPA-IBGZPJMESA-N 1 0 410.436 3.726 50 0 HHAARO O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000022242937 558471887 /nfs/dbraw/zinc/47/18/87/558471887.db2.gz BETXVIUZLZMLOJ-SANMLTNESA-N 1 0 416.565 3.954 50 0 HHAARO C[C@H]([NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995941 558498590 /nfs/dbraw/zinc/49/85/90/558498590.db2.gz HSGYQRONQBZKBM-FDDCHVKYSA-N 1 0 422.550 3.711 50 0 HHAARO C[C@@H](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681451 558504449 /nfs/dbraw/zinc/50/44/49/558504449.db2.gz ZCKYHIMSUCITGF-ICSRJNTNSA-N 1 0 413.587 3.846 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(C)c1C ZINC000022853399 558517256 /nfs/dbraw/zinc/51/72/56/558517256.db2.gz IAUOFQLPOPMPBS-HXUWFJFHSA-N 1 0 404.501 3.659 50 0 HHAARO Cc1cc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)ccc1Br ZINC000022912854 558520066 /nfs/dbraw/zinc/52/00/66/558520066.db2.gz JMSNTPIDOUGWIP-UHFFFAOYSA-N 1 0 416.363 3.556 50 0 HHAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000022914172 558520887 /nfs/dbraw/zinc/52/08/87/558520887.db2.gz JDPCVOADEQOCBH-QFIPXVFZSA-N 1 0 400.542 3.665 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023020011 558530551 /nfs/dbraw/zinc/53/05/51/558530551.db2.gz BNQQPUTYLXKGTD-HXUWFJFHSA-N 1 0 411.571 3.513 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000023095827 558534026 /nfs/dbraw/zinc/53/40/26/558534026.db2.gz PPCKKCFOVYEYIY-UHFFFAOYSA-N 1 0 417.981 3.874 50 0 HHAARO Cc1cc(C)c(C[N@@H+]2CCN(Cc3ccsc3)[C@@H](CCO)C2)c(-n2cccn2)c1 ZINC000023129635 558536847 /nfs/dbraw/zinc/53/68/47/558536847.db2.gz LTVYVQZJRFFSKI-NRFANRHFSA-N 1 0 410.587 3.619 50 0 HHAARO CC(C)CC(=O)Nc1ccnn1C1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000023360024 558551698 /nfs/dbraw/zinc/55/16/98/558551698.db2.gz RDAVNICYOINASS-JOCHJYFZSA-N 1 0 409.578 3.779 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccccc4C)CC3)C2)cc1CO ZINC000023360950 558552025 /nfs/dbraw/zinc/55/20/25/558552025.db2.gz CCRXXXKIODCOHH-XMMPIXPASA-N 1 0 423.601 3.673 50 0 HHAARO CCOc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@@H](CCO)C2)ccc1OC ZINC000023373071 558553286 /nfs/dbraw/zinc/55/32/86/558553286.db2.gz ADXLVOTUAZNDBQ-QHCPKHFHSA-N 1 0 412.574 3.595 50 0 HHAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3F)c2)CC[N@@H+]1CCCc1ccccc1 ZINC000023373892 558553776 /nfs/dbraw/zinc/55/37/76/558553776.db2.gz AXEXRAZVQLVEKS-HSZRJFAPSA-N 1 0 422.548 3.513 50 0 HHAARO O=C1c2ccccc2[C@H]([NH2+]CCCN2CCOCC2)N1[C@@H]1CCCc2ccccc21 ZINC000023504879 558560263 /nfs/dbraw/zinc/56/02/63/558560263.db2.gz ZCEQVZRJMTYIAP-DNQXCXABSA-N 1 0 405.542 3.531 50 0 HHAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)cc1 ZINC000013815840 558596114 /nfs/dbraw/zinc/59/61/14/558596114.db2.gz RVJHDJSIKAYAOA-UHFFFAOYSA-N 1 0 406.530 3.928 50 0 HHAARO Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)c12 ZINC000024837341 558616267 /nfs/dbraw/zinc/61/62/67/558616267.db2.gz DCRAXPLXZLQELM-NRFANRHFSA-N 1 0 405.546 3.967 50 0 HHAARO CSc1ncc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000025332075 558638717 /nfs/dbraw/zinc/63/87/17/558638717.db2.gz BZKVJSZQOYUECR-MRXNPFEDSA-N 1 0 404.536 3.828 50 0 HHAARO COc1cccc(NC(=O)[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000025697756 558648318 /nfs/dbraw/zinc/64/83/18/558648318.db2.gz RHAYHJBPEFNKRX-QHCPKHFHSA-N 1 0 404.466 3.936 50 0 HHAARO CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014535088 558657784 /nfs/dbraw/zinc/65/77/84/558657784.db2.gz VGYLLINGWFFFBR-RCZVLFRGSA-N 1 0 423.601 3.526 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)CC2 ZINC000014535120 558657797 /nfs/dbraw/zinc/65/77/97/558657797.db2.gz GZCQYSWHRVNZCZ-FQEVSTJZSA-N 1 0 424.495 3.559 50 0 HHAARO CCN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(OC)cc3)CC2)C1=O ZINC000014731901 558665676 /nfs/dbraw/zinc/66/56/76/558665676.db2.gz SQOPJGZICGTZRM-UHFFFAOYSA-N 1 0 421.541 3.557 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1ccccc1Cl)CC2 ZINC000014732116 558665771 /nfs/dbraw/zinc/66/57/71/558665771.db2.gz YFTMZPSBMGASGE-IBGZPJMESA-N 1 0 422.960 3.934 50 0 HHAARO CCCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]Cc1nc(-c3ccccc3)cs1)C2 ZINC000014732581 558665873 /nfs/dbraw/zinc/66/58/73/558665873.db2.gz LLCYIJKHFKEVCQ-KRWDZBQOSA-N 1 0 423.586 3.766 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1cccc(OC)c1)C2 ZINC000014743085 558667820 /nfs/dbraw/zinc/66/78/20/558667820.db2.gz SBDKQRYSQDDSFE-FQEVSTJZSA-N 1 0 424.589 3.617 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014746835 558669312 /nfs/dbraw/zinc/66/93/12/558669312.db2.gz BGECRCCMAHIDAF-SFHVURJKSA-N 1 0 401.551 3.543 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC000014749139 558670256 /nfs/dbraw/zinc/67/02/56/558670256.db2.gz PNCRFJZSYOIXLH-HXUWFJFHSA-N 1 0 416.610 3.571 50 0 HHAARO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000027741164 558680787 /nfs/dbraw/zinc/68/07/87/558680787.db2.gz PCYOLLDAVSOJQP-MRXNPFEDSA-N 1 0 404.532 3.731 50 0 HHAARO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1([NH+]2CCN(C)CC2)CCCCC1 ZINC000027744274 558681012 /nfs/dbraw/zinc/68/10/12/558681012.db2.gz DSRIORSLQVDQPD-HXUWFJFHSA-N 1 0 415.622 3.818 50 0 HHAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](C/C=C/c3ccccc3OC)C2)c1 ZINC000014953527 558681532 /nfs/dbraw/zinc/68/15/32/558681532.db2.gz YRHMMHDZALZIJI-VQFGERMISA-N 1 0 424.541 3.868 50 0 HHAARO O=C(c1ccncc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014961905 558684285 /nfs/dbraw/zinc/68/42/85/558684285.db2.gz CZERPZUJOQJMIG-RUZDIDTESA-N 1 0 419.569 3.582 50 0 HHAARO Fc1ccc(-n2cc(C[NH2+]C[C@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000014964056 558685111 /nfs/dbraw/zinc/68/51/11/558685111.db2.gz CHWFGWHKMLVJFV-SFHVURJKSA-N 1 0 401.869 3.837 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCCCSC)c1 ZINC000014969790 558686991 /nfs/dbraw/zinc/68/69/91/558686991.db2.gz OCOSLCIRURITQA-UHFFFAOYSA-N 1 0 406.592 3.964 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000072272918 558692646 /nfs/dbraw/zinc/69/26/46/558692646.db2.gz RTXSHVMYJXCSLJ-UHFFFAOYSA-N 1 0 419.953 3.787 50 0 HHAARO Cc1ccsc1C[N@H+]1CCc2nnc([C@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014998163 558696800 /nfs/dbraw/zinc/69/68/00/558696800.db2.gz MKKXQXYHBZGIAG-SFHVURJKSA-N 1 0 423.586 3.516 50 0 HHAARO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1cccc(CN2CCCC2=O)c1 ZINC000072281252 558706951 /nfs/dbraw/zinc/70/69/51/558706951.db2.gz ZKJPNFHIQQSNHJ-LJQANCHMSA-N 1 0 412.559 3.829 50 0 HHAARO CC[NH+](CC)[C@H](C(=O)NCc1ccc(NC(N)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000072284282 558715867 /nfs/dbraw/zinc/71/58/67/558715867.db2.gz HKNVTIYEPBTYHM-SFHVURJKSA-N 1 0 422.451 3.895 50 0 HHAARO COc1cccc(-c2cc(CC3(O)CC[NH+](C4Cc5ccccc5C4)CC3)on2)c1 ZINC000015079355 558718370 /nfs/dbraw/zinc/71/83/70/558718370.db2.gz DEDVCCWYUQLXSE-UHFFFAOYSA-N 1 0 404.510 3.887 50 0 HHAARO CNC(=O)c1ccc(C[N@H+](C)C[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000030533810 558732047 /nfs/dbraw/zinc/73/20/47/558732047.db2.gz RJOWXLVZXLTTLB-FQEVSTJZSA-N 1 0 401.510 3.647 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000033326781 558766867 /nfs/dbraw/zinc/76/68/67/558766867.db2.gz XAIKFDLTEJWVIG-UHFFFAOYSA-N 1 0 416.529 3.893 50 0 HHAARO CCOC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)cc1 ZINC000017205960 558825678 /nfs/dbraw/zinc/82/56/78/558825678.db2.gz DJCQJEWZMBEWSP-UHFFFAOYSA-O 1 0 404.490 3.513 50 0 HHAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000019223751 558852336 /nfs/dbraw/zinc/85/23/36/558852336.db2.gz CIAVUDHLEUWCPN-DEOSSOPVSA-N 1 0 418.585 3.805 50 0 HHAARO O=c1c(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)coc2ccc(Cl)cc12 ZINC000019225495 558852584 /nfs/dbraw/zinc/85/25/84/558852584.db2.gz YEXOWZSOQNYHEK-IBGZPJMESA-N 1 0 404.938 3.648 50 0 HHAARO Cc1ccc(CN2CC[N@H+](Cc3ccc(-n4cccn4)cc3C)C[C@@H]2CCO)cc1 ZINC000019300375 558866337 /nfs/dbraw/zinc/86/63/37/558866337.db2.gz NVXKYLORNKHLOC-VWLOTQADSA-N 1 0 404.558 3.558 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cc4ccccc4o3)CC2)cc1 ZINC000055569088 558882836 /nfs/dbraw/zinc/88/28/36/558882836.db2.gz UMIKBMUDIWMVHN-UHFFFAOYSA-N 1 0 416.481 3.932 50 0 HHAARO Cc1c(C(=O)Nc2cccc(Cl)c2C)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048316 558885385 /nfs/dbraw/zinc/88/53/85/558885385.db2.gz LECUCMVQLZJOPQ-UHFFFAOYSA-N 1 0 415.950 3.966 50 0 HHAARO COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1cccc(OC)c1OC ZINC000004679079 558890204 /nfs/dbraw/zinc/89/02/04/558890204.db2.gz BAUYDDVNKPTALS-UHFFFAOYSA-N 1 0 411.458 3.555 50 0 HHAARO NC(=O)Nc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000058139645 558901464 /nfs/dbraw/zinc/90/14/64/558901464.db2.gz IEUUIWUJMWGZAG-LJQANCHMSA-N 1 0 406.408 3.570 50 0 HHAARO Cc1ccc(CNC(=O)N[C@H](CN(C)C2CC[NH+](C)CC2)c2ccccc2)c(C)c1 ZINC000058159192 558904351 /nfs/dbraw/zinc/90/43/51/558904351.db2.gz QZJSPFUSUSJKDE-XMMPIXPASA-N 1 0 408.590 3.870 50 0 HHAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000058174135 558908693 /nfs/dbraw/zinc/90/86/93/558908693.db2.gz QFWDZNHZNMPYED-UHFFFAOYSA-N 1 0 418.582 3.549 50 0 HHAARO CN(CC(=O)Nc1ccccc1Cl)C(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000058179823 558910130 /nfs/dbraw/zinc/91/01/30/558910130.db2.gz UMQFLSQQZSKJEN-IBGZPJMESA-N 1 0 413.949 3.834 50 0 HHAARO CCOC(=O)c1c2c(sc1NC(=O)C[NH2+]Cc1ccc(F)cc1)C[C@H](C)CC2 ZINC000058219049 558913186 /nfs/dbraw/zinc/91/31/86/558913186.db2.gz ZHTQLCQRIUIUSX-CYBMUJFWSA-N 1 0 404.507 3.917 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCCO2)NC1CC[NH+](CC2CCCC2)CC1 ZINC000058405721 558924385 /nfs/dbraw/zinc/92/43/85/558924385.db2.gz IFXDTBIKNKXGBO-UHFFFAOYSA-N 1 0 406.954 3.815 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058420911 558925778 /nfs/dbraw/zinc/92/57/78/558925778.db2.gz FEGLDIQAXYUPRV-NRFANRHFSA-N 1 0 416.585 3.950 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2cccc(Cl)c2C)[nH+]1 ZINC000072115501 558926619 /nfs/dbraw/zinc/92/66/19/558926619.db2.gz HFWKIUUOVIUEML-UHFFFAOYSA-N 1 0 402.930 3.971 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)[nH+]1 ZINC000065361803 558972534 /nfs/dbraw/zinc/97/25/34/558972534.db2.gz JBKOWZVDJHLCAY-UHFFFAOYSA-N 1 0 412.513 3.577 50 0 HHAARO CCc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000065365520 558976409 /nfs/dbraw/zinc/97/64/09/558976409.db2.gz KPHIKRKYWVBTIN-UHFFFAOYSA-N 1 0 408.550 3.692 50 0 HHAARO COc1cccc(-c2nc3cc4c(cc3cc2C[N@@H+]2CCCOCC2)OCO4)c1OC ZINC000072448152 558982613 /nfs/dbraw/zinc/98/26/13/558982613.db2.gz GNEDFDPUEREYCZ-UHFFFAOYSA-N 1 0 422.481 3.870 50 0 HHAARO C[NH+](C)[C@@H]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 ZINC000072476393 558983899 /nfs/dbraw/zinc/98/38/99/558983899.db2.gz IWUQLZLELMAVKE-MRXNPFEDSA-N 1 0 403.408 3.958 50 0 HHAARO CCN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097087490 558990991 /nfs/dbraw/zinc/99/09/91/558990991.db2.gz CYJAAWZUFFUJMN-HSZRJFAPSA-N 1 0 424.589 3.569 50 0 HHAARO CCN1CCN(C(=O)CCC2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000067783694 558992872 /nfs/dbraw/zinc/99/28/72/558992872.db2.gz GVDBJJHHHAVQFG-UHFFFAOYSA-N 1 0 411.512 3.862 50 0 HHAARO O=C(NCc1ccncn1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000067894818 558994579 /nfs/dbraw/zinc/99/45/79/558994579.db2.gz GWRAMZVAKROFSF-UHFFFAOYSA-N 1 0 414.937 3.846 50 0 HHAARO O=C(NCC1CC[NH+](Cc2cccs2)CC1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000023127526 559015842 /nfs/dbraw/zinc/01/58/42/559015842.db2.gz TYQAAWMIVYLRRB-UHFFFAOYSA-N 1 0 409.914 3.508 50 0 HHAARO Cc1ccc(C)c(CN2CCC([N@@H+]3CCC[C@H](C(=O)NCc4ccccn4)C3)CC2)c1 ZINC000082107347 559038471 /nfs/dbraw/zinc/03/84/71/559038471.db2.gz KTRGUMHAZGAPGZ-QFIPXVFZSA-N 1 0 420.601 3.691 50 0 HHAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1 ZINC000082138567 559040687 /nfs/dbraw/zinc/04/06/87/559040687.db2.gz KZRXBMFCSZOXLL-QHCPKHFHSA-N 1 0 412.622 3.941 50 0 HHAARO Cc1cccc(OCC[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c1C ZINC000092066473 559075378 /nfs/dbraw/zinc/07/53/78/559075378.db2.gz JJOOBVVFWBPXPT-NRFANRHFSA-N 1 0 400.563 3.566 50 0 HHAARO O=C(CC[C@H]1CCC[N@H+](Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 ZINC000095501133 559082280 /nfs/dbraw/zinc/08/22/80/559082280.db2.gz GOZTYOLDBPZTKM-MRXNPFEDSA-N 1 0 402.489 3.805 50 0 HHAARO Cc1nc(CN(C)C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)no1 ZINC000095521791 559085501 /nfs/dbraw/zinc/08/55/01/559085501.db2.gz XTXRZCSRFPKBDY-UHFFFAOYSA-N 1 0 400.523 3.540 50 0 HHAARO Cc1cc(=O)cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)o1 ZINC000095530307 559086741 /nfs/dbraw/zinc/08/67/41/559086741.db2.gz VUCRVSURLPIADY-GOSISDBHSA-N 1 0 402.922 3.628 50 0 HHAARO COc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000011614434 559113696 /nfs/dbraw/zinc/11/36/96/559113696.db2.gz NSQWYRHSBKWNDT-OAQYLSRUSA-N 1 0 406.482 3.607 50 0 HHAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000072303670 559124301 /nfs/dbraw/zinc/12/43/01/559124301.db2.gz JWPAGRZVYIALCU-QPPBQGQZSA-N 1 0 408.542 3.839 50 0 HHAARO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNCc1ccccn1 ZINC000033379533 559147374 /nfs/dbraw/zinc/14/73/74/559147374.db2.gz DQBVEJYDENNHIJ-UHFFFAOYSA-N 1 0 413.474 3.854 50 0 HHAARO Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCC(C)(C)C[NH+](C)C)cc3)n2)o1 ZINC000023325423 559151354 /nfs/dbraw/zinc/15/13/54/559151354.db2.gz KHAVECKSFKQXJS-UHFFFAOYSA-N 1 0 424.549 3.672 50 0 HHAARO Cc1cccc(-c2ncc(CN3CC[N@H+](Cc4ccccc4C)[C@@H](CCO)C3)cn2)c1 ZINC000023358043 559173138 /nfs/dbraw/zinc/17/31/38/559173138.db2.gz PHGLOOLLTQJPKE-VWLOTQADSA-N 1 0 416.569 3.829 50 0 HHAARO Cc1ccc([C@H](c2c(O)cc(C)n(Cc3ccccc3)c2=O)N2CC[NH+](C)CC2)cc1 ZINC000023477131 559176225 /nfs/dbraw/zinc/17/62/25/559176225.db2.gz DAPDQEPBCKGHCC-RUZDIDTESA-N 1 0 417.553 3.556 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1ccn(C)n1)c1nc2c(s1)c(Cl)ccc2OC ZINC000011695523 559188598 /nfs/dbraw/zinc/18/85/98/559188598.db2.gz HUWVATHCDKWPMY-UHFFFAOYSA-N 1 0 421.954 3.680 50 0 HHAARO Cc1cc(S(=O)(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c(Cl)cc1Cl ZINC000225574085 559189240 /nfs/dbraw/zinc/18/92/40/559189240.db2.gz PDHWKKWIZNDHNY-CQSZACIVSA-N 1 0 423.431 3.798 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000004879676 559196193 /nfs/dbraw/zinc/19/61/93/559196193.db2.gz CFLHPIIEIIYTCB-QGZVFWFLSA-N 1 0 402.535 3.580 50 0 HHAARO COCC(=O)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@H]1c1ccccc1OC)C(C)C ZINC000247985903 559258606 /nfs/dbraw/zinc/25/86/06/559258606.db2.gz IQMZANICZKCOLZ-WIYYLYMNSA-N 1 0 416.587 3.856 50 0 HHAARO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000078802969 560540701 /nfs/dbraw/zinc/54/07/01/560540701.db2.gz GGKRLRGYUJMETB-KRWDZBQOSA-N 1 0 400.906 3.563 50 0 HHAARO CN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)[C@@]12c1ccccc1NC2=O ZINC000169302668 560762978 /nfs/dbraw/zinc/76/29/78/560762978.db2.gz QHOFUTURFHYTTR-LZYPDUGYSA-N 1 0 410.473 3.825 50 0 HHAARO COC(=O)N1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000583652239 560779259 /nfs/dbraw/zinc/77/92/59/560779259.db2.gz DUEDHAJLEKFMML-PMACEKPBSA-N 1 0 417.550 3.600 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000102685759 560821237 /nfs/dbraw/zinc/82/12/37/560821237.db2.gz GWSSOODOEXHBJQ-NWDGAFQWSA-N 1 0 422.323 3.776 50 0 HHAARO COC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104983844 560858897 /nfs/dbraw/zinc/85/88/97/560858897.db2.gz SWEBFGJOZJHYJF-WOJBJXKFSA-N 1 0 423.340 3.996 50 0 HHAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984313 560858903 /nfs/dbraw/zinc/85/89/03/560858903.db2.gz WYVCMRDEPCENNA-FCHUYYIVSA-N 1 0 414.521 3.997 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000108150422 560898133 /nfs/dbraw/zinc/89/81/33/560898133.db2.gz GCCSGAHCZZOYRH-SBHAEUEKSA-N 1 0 409.530 3.981 50 0 HHAARO CC(=O)NCc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000048310304 568436697 /nfs/dbraw/zinc/43/66/97/568436697.db2.gz XUJKECBZUNJWGL-RTBURBONSA-N 1 0 407.558 3.731 50 0 HHAARO CC(=O)Nc1nc(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cs1 ZINC000048886707 568443499 /nfs/dbraw/zinc/44/34/99/568443499.db2.gz AWZXQLQOZTWDSH-GJZGRUSLSA-N 1 0 400.548 3.509 50 0 HHAARO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000006018614 568454560 /nfs/dbraw/zinc/45/45/60/568454560.db2.gz LHWFDNGVDKNZDS-OAHLLOKOSA-N 1 0 400.302 3.583 50 0 HHAARO COc1ccc(CCNC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000390827948 568491505 /nfs/dbraw/zinc/49/15/05/568491505.db2.gz MIOSFPFSZMLAKQ-XWVZOOPGSA-N 1 0 409.574 3.842 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095397901 568604615 /nfs/dbraw/zinc/60/46/15/568604615.db2.gz MJJZVCSKBBVBJO-LJQANCHMSA-N 1 0 411.502 3.682 50 0 HHAARO Cc1ncc(C[NH2+]CCCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475426 568629866 /nfs/dbraw/zinc/62/98/66/568629866.db2.gz IIWZPTTUEVRMNP-UHFFFAOYSA-N 1 0 403.276 3.602 50 0 HHAARO Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095478225 568631573 /nfs/dbraw/zinc/63/15/73/568631573.db2.gz SLLJGAGEPRVKDX-UHFFFAOYSA-N 1 0 406.505 3.848 50 0 HHAARO CCCC[N@H+](CCCNC(=O)C[C@@H]1Nc2ccccc2NC1=O)Cc1ccccc1 ZINC000020732804 568640881 /nfs/dbraw/zinc/64/08/81/568640881.db2.gz NUKDPCUIHBILFU-QFIPXVFZSA-N 1 0 408.546 3.618 50 0 HHAARO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762163 568642790 /nfs/dbraw/zinc/64/27/90/568642790.db2.gz MWHAEIYCMQZNGZ-NQIIRXRSSA-N 1 0 424.593 3.646 50 0 biogenic HHAARO Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1Br ZINC000225542531 568649272 /nfs/dbraw/zinc/64/92/72/568649272.db2.gz YMPSBAYWDCNQDN-UHFFFAOYSA-N 1 0 417.413 3.962 50 0 HHAARO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1NC(=O)C1=CSCCO1 ZINC000021019774 568658158 /nfs/dbraw/zinc/65/81/58/568658158.db2.gz NZNPYBIXDOHCND-QGZVFWFLSA-N 1 0 417.575 3.533 50 0 HHAARO CC[C@@H]([NH2+]CCOC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000096199293 568666640 /nfs/dbraw/zinc/66/66/40/568666640.db2.gz PTVCIRKYPLDLPL-QGZVFWFLSA-N 1 0 416.319 3.835 50 0 HHAARO COc1ccc(CN(CC(O)C[N@H+](Cc2ccc(OC)cc2)C2CC2)C2CC2)cc1 ZINC000095996044 568678798 /nfs/dbraw/zinc/67/87/98/568678798.db2.gz ZUCSFSQMPWKYLF-UHFFFAOYSA-N 1 0 410.558 3.694 50 0 HHAARO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)Cn1cccn1 ZINC000030904393 568686911 /nfs/dbraw/zinc/68/69/11/568686911.db2.gz OVJZLFZEZTUUHI-JTQLQIEISA-N 1 0 403.118 3.595 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114037 568693578 /nfs/dbraw/zinc/69/35/78/568693578.db2.gz BMNPEPNKPALZFA-KRWDZBQOSA-N 1 0 410.514 3.998 50 0 biogenic HHAARO CC[N@H+](CCCNC(=O)COCc1cc(-c2cccs2)on1)Cc1ccccc1 ZINC000021528146 568709827 /nfs/dbraw/zinc/70/98/27/568709827.db2.gz YCDGYJLUYGDCTG-UHFFFAOYSA-N 1 0 413.543 3.948 50 0 HHAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000239358363 568728997 /nfs/dbraw/zinc/72/89/97/568728997.db2.gz NCPYNQDHIIBZIX-OOICKAIWSA-N 1 0 404.595 3.656 50 0 HHAARO Cc1cc(-c2cc(S(=O)(=O)N(CC[NH+](C)C)Cc3cccs3)c(C)s2)n[nH]1 ZINC000096341463 568736936 /nfs/dbraw/zinc/73/69/36/568736936.db2.gz NIXGWVWZSAEJIY-UHFFFAOYSA-N 1 0 424.617 3.569 50 0 HHAARO O=C(/C=C\c1ccc(Br)cc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000096401193 568750160 /nfs/dbraw/zinc/75/01/60/568750160.db2.gz KDJWZZWNKXNZOJ-TWGQIWQCSA-N 1 0 407.352 3.614 50 0 HHAARO C[NH+]1CCN([C@H](CNC(=O)c2cccc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 ZINC000022579555 568770329 /nfs/dbraw/zinc/77/03/29/568770329.db2.gz HJGUTMYNYNFTAA-LJQANCHMSA-N 1 0 409.427 3.563 50 0 HHAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000225566636 568774213 /nfs/dbraw/zinc/77/42/13/568774213.db2.gz SUYWJTYJDMVFBK-UHFFFAOYSA-N 1 0 407.558 3.966 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002630254 568790464 /nfs/dbraw/zinc/79/04/64/568790464.db2.gz LBCZTPMSGSKHJD-UHFFFAOYSA-N 1 0 423.435 3.909 50 0 HHAARO C[NH+](C)CCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261492478 568820363 /nfs/dbraw/zinc/82/03/63/568820363.db2.gz XYYSLEMPUGCCPQ-UHFFFAOYSA-N 1 0 404.345 3.951 50 0 HHAARO Fc1ccc(Cn2nc(C[NH2+]CCOc3ccccn3)c(-c3ccccc3)n2)cc1 ZINC000261492413 568820481 /nfs/dbraw/zinc/82/04/81/568820481.db2.gz AFKJJGGMPYFEGW-UHFFFAOYSA-N 1 0 403.461 3.696 50 0 HHAARO O=C(C[NH2+]C[C@@H](c1ccco1)N1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000025562165 568821431 /nfs/dbraw/zinc/82/14/31/568821431.db2.gz YJEAICUGKPXERI-KRWDZBQOSA-N 1 0 411.424 3.934 50 0 HHAARO CC[C@@H](C)[NH2+]CC(=O)Nc1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl ZINC000005955733 568832169 /nfs/dbraw/zinc/83/21/69/568832169.db2.gz VXQNQPUDZRPCMP-OAHLLOKOSA-N 1 0 423.966 3.882 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cc(Sc2nnc(C)s2)nc2ccccc21 ZINC000003037076 568845758 /nfs/dbraw/zinc/84/57/58/568845758.db2.gz WTSWWIQJMBDXIX-UHFFFAOYSA-N 1 0 401.561 3.618 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000003318021 568879776 /nfs/dbraw/zinc/87/97/76/568879776.db2.gz NZBGQLIWJLRJSE-KRWDZBQOSA-N 1 0 416.934 3.901 50 0 HHAARO CC(=O)Nc1ccc2nc(C[N@@H+](C)CC3(N4CCOCC4)CCCCC3)ccc2c1 ZINC000670440815 568890877 /nfs/dbraw/zinc/89/08/77/568890877.db2.gz SMNPCMHPFYNVMI-UHFFFAOYSA-N 1 0 410.562 3.660 50 0 HHAARO CCCCOc1cc(CNC[C@@H](C[NH+](C)C)[C@@H](O)c2ccccc2)ccc1OC ZINC000058152310 568892874 /nfs/dbraw/zinc/89/28/74/568892874.db2.gz ONXPXLPXAIUGHR-URXFXBBRSA-N 1 0 400.563 3.875 50 0 HHAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccccc23)c1 ZINC000004090925 568942274 /nfs/dbraw/zinc/94/22/74/568942274.db2.gz QIQVRKQPQRRCDZ-MBSHLRGSSA-N 1 0 423.513 3.514 50 0 biogenic HHAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000084185753 568943758 /nfs/dbraw/zinc/94/37/58/568943758.db2.gz FYHUOTSREFSCAZ-INIZCTEOSA-N 1 0 400.544 3.567 50 0 HHAARO COCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000012762965 568946674 /nfs/dbraw/zinc/94/66/74/568946674.db2.gz LUDWIZQEBBXWGP-QGZVFWFLSA-N 1 0 423.513 3.592 50 0 HHAARO C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000084651760 568954753 /nfs/dbraw/zinc/95/47/53/568954753.db2.gz COHZLYYSIHLKGW-CQSZACIVSA-N 1 0 420.962 3.912 50 0 HHAARO C[C@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000084651759 568954836 /nfs/dbraw/zinc/95/48/36/568954836.db2.gz COHZLYYSIHLKGW-AWEZNQCLSA-N 1 0 420.962 3.912 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676917 568965000 /nfs/dbraw/zinc/96/50/00/568965000.db2.gz JXUPUHHYMQCXJO-UHFFFAOYSA-N 1 0 421.589 3.942 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000015681524 568968107 /nfs/dbraw/zinc/96/81/07/568968107.db2.gz NTIYNTFPUYGURP-SFHVURJKSA-N 1 0 409.509 3.796 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008012759 568968438 /nfs/dbraw/zinc/96/84/38/568968438.db2.gz IBXMDYCTLWSODW-UHFFFAOYSA-N 1 0 411.933 3.993 50 0 HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008132888 568975967 /nfs/dbraw/zinc/97/59/67/568975967.db2.gz ICVCRWSKEOSDMK-NRFANRHFSA-N 1 0 424.545 3.867 50 0 HHAARO Cc1noc(C)c1COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000008133837 568976651 /nfs/dbraw/zinc/97/66/51/568976651.db2.gz OSMLZOTVJGXJJO-OAQYLSRUSA-N 1 0 405.498 3.875 50 0 HHAARO C[C@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000008193146 568981748 /nfs/dbraw/zinc/98/17/48/568981748.db2.gz MLVXLWPQCTXYQK-AVRDEDQJSA-N 1 0 404.558 3.966 50 0 HHAARO Cc1cc2ncn(CC3CC[NH+](CC(=O)NCc4ccc(F)cc4)CC3)c2cc1C ZINC000038488544 568997809 /nfs/dbraw/zinc/99/78/09/568997809.db2.gz CEZUQYIXEGSGMW-UHFFFAOYSA-N 1 0 408.521 3.821 50 0 HHAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000015773657 568998786 /nfs/dbraw/zinc/99/87/86/568998786.db2.gz KXBZXOZAOWUUQP-XMMPIXPASA-N 1 0 419.569 3.691 50 0 HHAARO COc1cccc2cc(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)c(=O)oc21 ZINC000038584678 569002129 /nfs/dbraw/zinc/00/21/29/569002129.db2.gz VLFOZPFAAOCILO-UHFFFAOYSA-N 1 0 412.511 3.505 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1ccccc1NC(=O)Cc1ccccc1)c1ccccc1 ZINC000008428364 569002364 /nfs/dbraw/zinc/00/23/64/569002364.db2.gz LCOQUURZRMDKRW-QHCPKHFHSA-N 1 0 401.510 3.901 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cc4ccccc4[nH]3)C[C@H]2CCO)c(C)c1C ZINC000104320051 569008232 /nfs/dbraw/zinc/00/82/32/569008232.db2.gz DKURQUGGXSRWNA-HSZRJFAPSA-N 1 0 407.558 3.862 50 0 HHAARO COc1ccc2[nH]c(CN3CC[N@H+](Cc4ccccc4C)[C@H](CCO)C3)c(C)c2c1 ZINC000104464808 569008656 /nfs/dbraw/zinc/00/86/56/569008656.db2.gz YUMOPPHCFNXVKE-OAQYLSRUSA-N 1 0 407.558 3.862 50 0 HHAARO CCOc1ccc(CN2CC[N@H+](Cc3cn(C)c4ccccc34)C[C@H]2CCO)cc1 ZINC000104557918 569009031 /nfs/dbraw/zinc/00/90/31/569009031.db2.gz IDHJARVLFPJUGW-JOCHJYFZSA-N 1 0 407.558 3.646 50 0 HHAARO CC1CC[NH+]([C@@H](CNC(=O)c2ccc(Cn3cncn3)cc2)c2cccs2)CC1 ZINC000012904797 569021121 /nfs/dbraw/zinc/02/11/21/569021121.db2.gz WPXNSTUMOASGBQ-FQEVSTJZSA-N 1 0 409.559 3.591 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(F)c1 ZINC000012907575 569021235 /nfs/dbraw/zinc/02/12/35/569021235.db2.gz BBBTXTVMLNCRKZ-NRFANRHFSA-N 1 0 410.468 3.672 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000016027003 569026609 /nfs/dbraw/zinc/02/66/09/569026609.db2.gz XELZJZRNKWSHBN-KHJUTWJGSA-N 1 0 411.889 3.619 50 0 HHAARO Cc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccccc2)cc1 ZINC000035372529 569033855 /nfs/dbraw/zinc/03/38/55/569033855.db2.gz AZPCUIFPIUTDRE-UHFFFAOYSA-N 1 0 406.555 3.990 50 0 HHAARO C[C@H]1CCC[N@H+](CCCNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000035399210 569035264 /nfs/dbraw/zinc/03/52/64/569035264.db2.gz FJCUSGSSPMHVLT-IBGZPJMESA-N 1 0 400.567 3.559 50 0 HHAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CC2CCN(C(=O)Nc3ccccc3)CC2)C1 ZINC000035399209 569035287 /nfs/dbraw/zinc/03/52/87/569035287.db2.gz FJCUSGSSPMHVLT-LJQANCHMSA-N 1 0 400.567 3.559 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[N@@H+]3CCC[C@H]3C2)c(F)c1 ZINC000244626590 569056076 /nfs/dbraw/zinc/05/60/76/569056076.db2.gz FONMVGHTTJLKOH-FQEVSTJZSA-N 1 0 406.505 3.967 50 0 HHAARO O=S(=O)(NCCC[NH+]1CCCCCC1)c1ccc(Br)cc1Cl ZINC000026818090 569056799 /nfs/dbraw/zinc/05/67/99/569056799.db2.gz HACAFVUKNIFBOL-UHFFFAOYSA-N 1 0 409.777 3.647 50 0 HHAARO COc1ccc([C@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1 ZINC000089326730 569058479 /nfs/dbraw/zinc/05/84/79/569058479.db2.gz ZAATXPJAGPAQNZ-QFIPXVFZSA-N 1 0 403.954 3.578 50 0 HHAARO COc1cc(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)c(OC)cc1Cl ZINC000089420791 569060142 /nfs/dbraw/zinc/06/01/42/569060142.db2.gz YFSZENZHCWRGEG-LJQANCHMSA-N 1 0 418.921 3.569 50 0 HHAARO COc1ccc([C@@H](NC(=O)C[NH2+]CCOc2ccccc2OC)c2ccccc2)cc1 ZINC000016695493 569070838 /nfs/dbraw/zinc/07/08/38/569070838.db2.gz BDPWPRKFPNSSFV-VWLOTQADSA-N 1 0 420.509 3.578 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4noc(C(C)C)n4)C3)C2)c1OC ZINC000426739086 569074095 /nfs/dbraw/zinc/07/40/95/569074095.db2.gz PYNKTPFTVYKWPS-QFIPXVFZSA-N 1 0 400.523 3.703 50 0 HHAARO COCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2ccccc2C)CC1 ZINC000064666608 569078339 /nfs/dbraw/zinc/07/83/39/569078339.db2.gz ZHUOJADRPXIUFX-UHFFFAOYSA-N 1 0 419.569 3.973 50 0 HHAARO CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006658721 569083544 /nfs/dbraw/zinc/08/35/44/569083544.db2.gz NGXGRZNVCKISHE-OAHLLOKOSA-N 1 0 414.546 3.938 50 0 HHAARO Cc1cc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)c(C)c(=O)oc2c1 ZINC000006660095 569084125 /nfs/dbraw/zinc/08/41/25/569084125.db2.gz ZECPDFINEHYRBI-UHFFFAOYSA-N 1 0 400.519 3.522 50 0 HHAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2)CC(C)C)cc1 ZINC000036095639 569089893 /nfs/dbraw/zinc/08/98/93/569089893.db2.gz QNXCNRZKUBRCDJ-LJQANCHMSA-N 1 0 403.519 3.610 50 0 HHAARO CCc1cccc2c([C@H](CC(=O)NCC[NH+](C)C)c3ccc4c(c3)OCO4)c[nH]c21 ZINC000006706259 569095215 /nfs/dbraw/zinc/09/52/15/569095215.db2.gz IGVCXUYXZRUBEN-LJQANCHMSA-N 1 0 407.514 3.659 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145897 569098385 /nfs/dbraw/zinc/09/83/85/569098385.db2.gz FCTWSSQCXSTXJF-SFTDATJTSA-N 1 0 402.922 3.733 50 0 HHAARO CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CC[NH+](C)C)C(=O)c2ccco2)c1 ZINC000006723135 569099999 /nfs/dbraw/zinc/09/99/99/569099999.db2.gz IYXWHSYOORKUOA-UHFFFAOYSA-N 1 0 414.550 3.534 50 0 HHAARO Cn1cc(NC(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000006724919 569100797 /nfs/dbraw/zinc/10/07/97/569100797.db2.gz GMKHOLXTBYPOQJ-UHFFFAOYSA-N 1 0 408.502 3.698 50 0 HHAARO CCOC(=O)c1cc2ccsc2n1CC(=O)NCC[C@@H](C)[NH+]1CCCCCC1 ZINC000064843187 569107113 /nfs/dbraw/zinc/10/71/13/569107113.db2.gz YALMCQDXGHOFNM-MRXNPFEDSA-N 1 0 405.564 3.650 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1cc2c(s1)c1ccc(Cl)cc1n(C)c2=O ZINC000006771807 569117105 /nfs/dbraw/zinc/11/71/05/569117105.db2.gz MDNKWVNEWLTHNJ-UHFFFAOYSA-N 1 0 405.951 3.868 50 0 HHAARO CCCC[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000006778449 569118858 /nfs/dbraw/zinc/11/88/58/569118858.db2.gz YCWSRKQDSVQRDT-UHFFFAOYSA-N 1 0 423.966 3.883 50 0 HHAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](C)O ZINC000036306713 569129396 /nfs/dbraw/zinc/12/93/96/569129396.db2.gz ANHJMLQGYMZRFP-KRWDZBQOSA-N 1 0 413.493 3.848 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343704 569142323 /nfs/dbraw/zinc/14/23/23/569142323.db2.gz NOYLKXCIBZLHJI-JOCHJYFZSA-N 1 0 410.949 3.655 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344589 569142613 /nfs/dbraw/zinc/14/26/13/569142613.db2.gz DIXWPYZEDQDLJO-XMMPIXPASA-N 1 0 404.558 3.619 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1 ZINC000064989580 569145972 /nfs/dbraw/zinc/14/59/72/569145972.db2.gz YIJAFKWUBGUOBK-IBGZPJMESA-N 1 0 407.562 3.738 50 0 HHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000006876475 569163425 /nfs/dbraw/zinc/16/34/25/569163425.db2.gz LSPVFHRKXFLWPZ-IAGOWNOFSA-N 1 0 403.498 3.767 50 0 HHAARO O=C(NCc1ccc(Cl)cc1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255946 569208130 /nfs/dbraw/zinc/20/81/30/569208130.db2.gz LLKCYPYOONPQRF-OAQYLSRUSA-N 1 0 406.917 3.816 50 0 HHAARO CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000036613310 569209198 /nfs/dbraw/zinc/20/91/98/569209198.db2.gz BNGCFVOYPKLCMQ-LJQANCHMSA-N 1 0 403.530 3.655 50 0 HHAARO COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@@H](C)C[NH+]4CCCCC4)c32)c1 ZINC000036619284 569210613 /nfs/dbraw/zinc/21/06/13/569210613.db2.gz DECBSUBKDWRMOX-INIZCTEOSA-N 1 0 408.502 3.811 50 0 HHAARO O=C(CSc1nncn1-c1ccccc1F)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007120772 569224297 /nfs/dbraw/zinc/22/42/97/569224297.db2.gz SMZQBJYXAVYJKY-UHFFFAOYSA-N 1 0 411.506 3.733 50 0 HHAARO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007191853 569228112 /nfs/dbraw/zinc/22/81/12/569228112.db2.gz RDSJYKRISOPYFL-ROUUACIJSA-N 1 0 418.607 3.709 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000007263616 569230803 /nfs/dbraw/zinc/23/08/03/569230803.db2.gz MHELJOCDBZXDRF-JOCHJYFZSA-N 1 0 420.509 3.997 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2cc3cnn(C(C)C)c3nc2C)CC1 ZINC000065475504 569231333 /nfs/dbraw/zinc/23/13/33/569231333.db2.gz IOSWKSHDYXMLHT-UHFFFAOYSA-N 1 0 406.534 3.715 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000065547838 569234829 /nfs/dbraw/zinc/23/48/29/569234829.db2.gz HGVXMVHDZGCVMA-LJQANCHMSA-N 1 0 410.537 3.616 50 0 HHAARO CCCC[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1 ZINC000065592856 569236914 /nfs/dbraw/zinc/23/69/14/569236914.db2.gz RJKYKQFNLVINAN-CYBMUJFWSA-N 1 0 401.320 3.736 50 0 HHAARO COCCn1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2cc(Cl)ccc21 ZINC000170613459 569246902 /nfs/dbraw/zinc/24/69/02/569246902.db2.gz IRHKNBAMMUEENP-APWZRJJASA-N 1 0 403.954 3.935 50 0 HHAARO Cc1csc(CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)n1 ZINC000170617681 569247716 /nfs/dbraw/zinc/24/77/16/569247716.db2.gz KDEJBRWCAPVMCZ-SJORKVTESA-N 1 0 411.493 3.811 50 0 HHAARO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000071819860 569254517 /nfs/dbraw/zinc/25/45/17/569254517.db2.gz UEMAKOWNBSRYHW-UHFFFAOYSA-N 1 0 414.553 3.571 50 0 HHAARO Cc1nn(-c2ccccc2)nc1C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000014515264 569260307 /nfs/dbraw/zinc/26/03/07/569260307.db2.gz STZGTILMZWGVMO-LJQANCHMSA-N 1 0 409.559 3.840 50 0 HHAARO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCN3C(C)=O)o2)cc1 ZINC000089954826 569269838 /nfs/dbraw/zinc/26/98/38/569269838.db2.gz QLZSJWNOJVEJFI-SFTDATJTSA-N 1 0 412.534 3.891 50 0 HHAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000252022271 569272916 /nfs/dbraw/zinc/27/29/16/569272916.db2.gz ZIXHHZJJVCNDCX-MBSDFSHPSA-N 1 0 403.530 3.796 50 0 HHAARO COc1ccc(N=c2scc(C[NH+]3CCC(O)CC3)n2Cc2ccccc2)cc1 ZINC000252452989 569286290 /nfs/dbraw/zinc/28/62/90/569286290.db2.gz UKXNWNYPAUNMPO-UHFFFAOYSA-N 1 0 409.555 3.796 50 0 HHAARO CC(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000195529216 569311969 /nfs/dbraw/zinc/31/19/69/569311969.db2.gz ITMATJVKPFZWAI-MZKRTTBSSA-N 1 0 413.606 3.675 50 0 HHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819804 569320690 /nfs/dbraw/zinc/32/06/90/569320690.db2.gz MBJGDVRVWZDVGN-HSZRJFAPSA-N 1 0 419.654 3.771 50 0 HHAARO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000026771573 569357675 /nfs/dbraw/zinc/35/76/75/569357675.db2.gz IYKRYPCAWRTXRE-ZKMPZPQNSA-N 1 0 408.542 3.680 50 0 biogenic HHAARO Cc1oc2c(c1C(=O)NCC[C@H](C)[NH+]1CCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291988 569364390 /nfs/dbraw/zinc/36/43/90/569364390.db2.gz XUTYKLMRLLKZSR-KRWDZBQOSA-N 1 0 413.537 3.890 50 0 HHAARO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000253407349 569366124 /nfs/dbraw/zinc/36/61/24/569366124.db2.gz JTLPAQMATCDEIG-FXAWDEMLSA-N 1 0 400.954 3.962 50 0 biogenic HHAARO CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000253424515 569368125 /nfs/dbraw/zinc/36/81/25/569368125.db2.gz HIGPLORMAVRGPY-UHFFFAOYSA-N 1 0 411.594 3.670 50 0 HHAARO CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027605940 569375996 /nfs/dbraw/zinc/37/59/96/569375996.db2.gz KJFWBSJRQGPDSB-LJQANCHMSA-N 1 0 413.587 3.729 50 0 HHAARO C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000078947448 569421835 /nfs/dbraw/zinc/42/18/35/569421835.db2.gz CPRVQMROVDCERW-INIZCTEOSA-N 1 0 402.922 3.745 50 0 HHAARO CO[C@@H](C)c1noc(CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1 ZINC000079018085 569424154 /nfs/dbraw/zinc/42/41/54/569424154.db2.gz ZQGZZGWVYBXAAN-KRWDZBQOSA-N 1 0 422.529 3.755 50 0 HHAARO CC1(C)CC(NC(=O)Nc2cc3c(cc2Br)OCCO3)CC(C)(C)[NH2+]1 ZINC000040023753 571139756 /nfs/dbraw/zinc/13/97/56/571139756.db2.gz OZZLRNQYYGGCNY-UHFFFAOYSA-N 1 0 412.328 3.651 50 0 HHAARO O=C(CCCc1nc(-c2cccs2)no1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000040094090 571161827 /nfs/dbraw/zinc/16/18/27/571161827.db2.gz OPKIOPPMAHDRAB-UHFFFAOYSA-N 1 0 416.572 3.917 50 0 HHAARO CCC(CC)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1C)[NH+]1CCCC1 ZINC000040105025 571165969 /nfs/dbraw/zinc/16/59/69/571165969.db2.gz RSYWHJCAQVMUHP-QFIPXVFZSA-N 1 0 402.583 3.854 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000040107140 571167577 /nfs/dbraw/zinc/16/75/77/571167577.db2.gz GHMFPEPEBYQPBT-SFHVURJKSA-N 1 0 414.571 3.536 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(I)cc1 ZINC000040108154 571167813 /nfs/dbraw/zinc/16/78/13/571167813.db2.gz YXRZNWJCVJZMGU-CQSZACIVSA-N 1 0 400.304 3.676 50 0 HHAARO COc1cccc([C@@H](CNC(=O)Nc2cccc(-n3nc(C)cc3C)c2)[NH+](C)C)c1 ZINC000040138994 571188920 /nfs/dbraw/zinc/18/89/20/571188920.db2.gz PPRYRVQOUQRKAI-JOCHJYFZSA-N 1 0 407.518 3.922 50 0 HHAARO Cc1ccccc1C(=O)N[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(C)C ZINC000040157547 571204090 /nfs/dbraw/zinc/20/40/90/571204090.db2.gz LMDCUKVYSGGTTP-HSZRJFAPSA-N 1 0 413.606 3.864 50 0 HHAARO CC[NH+](CC)CCNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1Cl ZINC000069139900 571206896 /nfs/dbraw/zinc/20/68/96/571206896.db2.gz NZTYPOMBWQCQSU-QGZVFWFLSA-N 1 0 402.366 3.596 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328865 571225527 /nfs/dbraw/zinc/22/55/27/571225527.db2.gz QHTQETRUAUTZJL-UGKGYDQZSA-N 1 0 401.526 3.500 50 0 HHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000070039894 571254907 /nfs/dbraw/zinc/25/49/07/571254907.db2.gz RDWLWYOLVMITEH-JHJVBQTASA-N 1 0 407.399 3.537 50 0 HHAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000009753834 571284307 /nfs/dbraw/zinc/28/43/07/571284307.db2.gz YVMZNUYXDUTHTD-UHFFFAOYSA-N 1 0 421.607 3.700 50 0 HHAARO COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCCC1)n2C ZINC000009942327 571291157 /nfs/dbraw/zinc/29/11/57/571291157.db2.gz RACMXYYHHDISOS-UHFFFAOYSA-N 1 0 422.529 3.975 50 0 HHAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3ccc4c(c3)nc3n4CCOC3)CC2)cc1 ZINC000021943138 571315127 /nfs/dbraw/zinc/31/51/27/571315127.db2.gz DLFBAESGSCEBOP-UHFFFAOYSA-N 1 0 418.541 3.517 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccccc1OC)C(C)=O ZINC000169678070 571315557 /nfs/dbraw/zinc/31/55/57/571315557.db2.gz ZZIPQWFPWLQCEV-CTNGQTDRSA-N 1 0 416.587 3.776 50 0 HHAARO CCn1cc(Cl)c(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)n1 ZINC000000673555 960457532 /nfs/dbraw/zinc/45/75/32/960457532.db2.gz TTYAFCWZMOLMPW-UHFFFAOYSA-N 1 0 400.914 3.644 50 0 HHAARO C[C@@]1(C2CC[NH+](Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011784124 962188731 /nfs/dbraw/zinc/18/87/31/962188731.db2.gz GUPZVOWIGFAOHJ-NRFANRHFSA-N 1 0 401.507 3.610 50 0 HHAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4cc(OC)ccc4F)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000011816273 962197696 /nfs/dbraw/zinc/19/76/96/962197696.db2.gz GYOCSJYRTQUMFH-OWSXEPHWSA-N 1 0 410.489 3.781 50 0 HHAARO COc1ccc(-c2cc(C(=O)N(C)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)[nH]n2)cc1 ZINC000011819101 962197757 /nfs/dbraw/zinc/19/77/57/962197757.db2.gz SMQIVJQBFNDWOP-OAQYLSRUSA-N 1 0 418.541 3.864 50 0 HHAARO COCc1cc(C[N@@H+]2CCC[C@@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000011821397 962199173 /nfs/dbraw/zinc/19/91/73/962199173.db2.gz UFIZDZNDIBTEHT-HXUWFJFHSA-N 1 0 400.519 3.935 50 0 HHAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCc2cn3ccccc3n2)C1 ZINC000011820348 962199536 /nfs/dbraw/zinc/19/95/36/962199536.db2.gz DMDXXPJDAUNFJS-QFIPXVFZSA-N 1 0 418.585 3.988 50 0 HHAARO CC(C)NC(=O)C1CC[NH+](C2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)CC1 ZINC000011935348 962210425 /nfs/dbraw/zinc/21/04/25/962210425.db2.gz SJXDNLYOMYPZLY-UHFFFAOYSA-N 1 0 415.626 3.658 50 0 HHAARO C[C@H](CNC(=O)c1ccc2c(c1)OCO2)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000012149194 962246288 /nfs/dbraw/zinc/24/62/88/962246288.db2.gz MMUKZBSDIMKJEH-QGZVFWFLSA-N 1 0 422.481 3.838 50 0 HHAARO CC1=C(CC[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)C(C)(C)CCC1 ZINC000012207546 962253785 /nfs/dbraw/zinc/25/37/85/962253785.db2.gz CJSOHVOLQJZLEQ-UHFFFAOYSA-N 1 0 413.610 3.512 50 0 HHAARO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C)C1 ZINC000012297955 962266594 /nfs/dbraw/zinc/26/65/94/962266594.db2.gz IDIFAQZMVDDSCP-SFHVURJKSA-N 1 0 407.967 3.719 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c(OC)c1 ZINC000012430573 962279049 /nfs/dbraw/zinc/27/90/49/962279049.db2.gz JOHJFVUCKAYXSO-INIZCTEOSA-N 1 0 406.486 3.584 50 0 HHAARO CN(Cc1ncc[nH]1)C(=O)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000012432167 962279242 /nfs/dbraw/zinc/27/92/42/962279242.db2.gz RGNCPHOJIXFSDE-UHFFFAOYSA-N 1 0 418.541 3.768 50 0 HHAARO COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]24)cn1 ZINC000013595194 962395155 /nfs/dbraw/zinc/39/51/55/962395155.db2.gz GXTDMBWAWOCPGD-JTJYXVOQSA-N 1 0 414.509 3.823 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4ncoc4C4CC4)C3)C2)c1 ZINC000014954126 962613013 /nfs/dbraw/zinc/61/30/13/962613013.db2.gz ISFFNYAWFDTWES-HSZRJFAPSA-N 1 0 413.493 3.828 50 0 HHAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014950516 962613042 /nfs/dbraw/zinc/61/30/42/962613042.db2.gz SLARTPYQDGFRHH-NRFANRHFSA-N 1 0 421.545 3.820 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3cccc(F)c3)CC2)c(Cl)c1 ZINC000014959155 962614381 /nfs/dbraw/zinc/61/43/81/962614381.db2.gz OUFWGRJMVXSCEV-UHFFFAOYSA-N 1 0 420.912 3.899 50 0 HHAARO Cc1c(C(=O)N[C@H](C)Cc2ccsc2)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000014981965 962617215 /nfs/dbraw/zinc/61/72/15/962617215.db2.gz HWNVHVJDDNBQCV-CYBMUJFWSA-N 1 0 417.604 3.786 50 0 HHAARO COc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](CCc4ccccc4)CC[C@@H]32)c(OC)c1 ZINC000014991004 962619531 /nfs/dbraw/zinc/61/95/31/962619531.db2.gz CLBKPPHDNMZZJX-OFNKIYASSA-N 1 0 408.542 3.873 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2=O)c1 ZINC000015062353 962645627 /nfs/dbraw/zinc/64/56/27/962645627.db2.gz MALQABHXHQJKDJ-LJQANCHMSA-N 1 0 402.432 3.991 50 0 HHAARO CCOc1ccc2nc(N3CCC[C@H]([NH2+]CCc4cscn4)CC3)nc(C)c2c1 ZINC000015068893 962647546 /nfs/dbraw/zinc/64/75/46/962647546.db2.gz GAMZWIGHHQNFTD-KRWDZBQOSA-N 1 0 411.575 3.985 50 0 HHAARO COC[C@@H]1CCCCN1C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000015079639 962653253 /nfs/dbraw/zinc/65/32/53/962653253.db2.gz VQICNZOXRVIVQO-QFIPXVFZSA-N 1 0 423.557 3.766 50 0 HHAARO c1ccc(CCC[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000023359077 963807074 /nfs/dbraw/zinc/80/70/74/963807074.db2.gz GAAXCNYMVQFBCH-DEOSSOPVSA-N 1 0 421.585 3.630 50 0 HHAARO CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000024190124 963955369 /nfs/dbraw/zinc/95/53/69/963955369.db2.gz PLTRVIVGXRUCBZ-HXUWFJFHSA-N 1 0 401.551 3.546 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 ZINC000055343478 965823588 /nfs/dbraw/zinc/82/35/88/965823588.db2.gz YJGZFCIQIOUXSI-QFIPXVFZSA-N 1 0 407.558 3.577 50 0 HHAARO CCc1ccc([C@H](CNC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000096940651 969058680 /nfs/dbraw/zinc/05/86/80/969058680.db2.gz YWEMAOONTUSLNX-NYURDRINSA-N 1 0 405.542 3.808 50 0 HHAARO O=S(=O)(c1ccccc1)N1CCC([N@H+](Cc2ccccc2)C2CCOCC2)CC1 ZINC000169759112 970470445 /nfs/dbraw/zinc/47/04/45/970470445.db2.gz GYPHDLLDDOGGNH-UHFFFAOYSA-N 1 0 414.571 3.521 50 0 HHAARO CC(=O)N(Cc1nn(C)c2c1C[N@@H+](CCCc1ccccc1)CC2)c1ccccc1 ZINC000169764966 970473128 /nfs/dbraw/zinc/47/31/28/970473128.db2.gz PBJGIDLORXOODP-UHFFFAOYSA-N 1 0 402.542 3.964 50 0 HHAARO O=C(NCc1ccccc1F)c1ccc2c(c1)C[N@H+](C1CCSCC1)CCO2 ZINC000169776598 970478166 /nfs/dbraw/zinc/47/81/66/970478166.db2.gz UVBXQVZLFAEYCK-UHFFFAOYSA-N 1 0 400.519 3.846 50 0 HHAARO Cc1cc(C)n(CCC(=O)N2CCC3(CC2)C[C@H]([N@H+](C)Cc2ccccc2)CCO3)n1 ZINC000169784568 970482029 /nfs/dbraw/zinc/48/20/29/970482029.db2.gz NGOHWVQOIMJQNT-HSZRJFAPSA-N 1 0 424.589 3.562 50 0 HHAARO O=C1CC[N@H+](Cc2cccc(F)c2)CCC[C@H](c2nc(-c3cccnc3)no2)CCN1 ZINC000257197155 970626466 /nfs/dbraw/zinc/62/64/66/970626466.db2.gz ZNXGQPDRBWIWJO-SFHVURJKSA-N 1 0 423.492 3.547 50 0 HHAARO CC[C@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)Cc2cc(OC)ccc2O1 ZINC000299791957 970723569 /nfs/dbraw/zinc/72/35/69/970723569.db2.gz DLLCDWVOLMDSMP-SFHVURJKSA-N 1 0 400.544 3.705 50 0 HHAARO COc1ccc(Cl)cc1C(=O)N1CCC([C@@H]2c3[nH]cnc3CC[N@@H+]2C(C)C)CC1 ZINC000409419669 972890316 /nfs/dbraw/zinc/89/03/16/972890316.db2.gz APSNVTAJWCXJBP-OAQYLSRUSA-N 1 0 416.953 3.932 50 0 HHAARO CCc1ccc(C[NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000001179446 132240764 /nfs/dbraw/zinc/24/07/64/132240764.db2.gz XSFXLWPCRWZLJT-UHFFFAOYSA-N 1 0 409.549 3.949 50 0 HHAARO COc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC000002828242 132258120 /nfs/dbraw/zinc/25/81/20/132258120.db2.gz NMGASPVZAHPNBK-UHFFFAOYSA-N 1 0 421.585 3.873 50 0 HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000002828229 132258136 /nfs/dbraw/zinc/25/81/36/132258136.db2.gz MTEFEMYTWMEHFL-NRFANRHFSA-N 1 0 411.590 3.802 50 0 HHAARO CCOc1ccc(C[NH+]2CCC(N3CCN(c4ccccc4OC)CC3)CC2)cc1 ZINC000004712103 132285290 /nfs/dbraw/zinc/28/52/90/132285290.db2.gz YGNYOMUYELCKJX-UHFFFAOYSA-N 1 0 409.574 3.881 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CN3CCC[C@H]3c3cccc(OC)c3)cc2)CC1 ZINC000010228052 132345474 /nfs/dbraw/zinc/34/54/74/132345474.db2.gz TZNCZDFGVJITRS-DEOSSOPVSA-N 1 0 422.573 3.613 50 0 HHAARO CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1 ZINC000011697921 132349964 /nfs/dbraw/zinc/34/99/64/132349964.db2.gz VXNOYAZWQMDCLI-UHFFFAOYSA-N 1 0 416.529 3.875 50 0 HHAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH2+][C@H]3CCOC3)CC2)c1 ZINC000011786864 132350625 /nfs/dbraw/zinc/35/06/25/132350625.db2.gz LUBYUHVTMJTOFU-QHCPKHFHSA-N 1 0 407.558 3.995 50 0 HHAARO CC(C)CC(=O)Nc1nc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000040355272 519609777 /nfs/dbraw/zinc/60/97/77/519609777.db2.gz ZPQZANNFLKOWID-UHFFFAOYSA-N 1 0 400.548 3.522 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccccc1Cl ZINC000032590471 519714885 /nfs/dbraw/zinc/71/48/85/519714885.db2.gz MPJTUOXLAMSWQD-CTNGQTDRSA-N 1 0 403.929 3.736 50 0 HHAARO CC(C)c1ccc(S(=O)(=O)N[C@H](C)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000032916440 519838757 /nfs/dbraw/zinc/83/87/57/519838757.db2.gz WNXUDRNMDZMSQB-HXUWFJFHSA-N 1 0 415.603 3.689 50 0 HHAARO CC1CC[NH+](Cc2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1 ZINC000032935341 521026174 /nfs/dbraw/zinc/02/61/74/521026174.db2.gz AIKDTXPUANXPFK-UHFFFAOYSA-N 1 0 401.532 3.542 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)cc3F)c(C)c2)CC1 ZINC000032772069 521698999 /nfs/dbraw/zinc/69/89/99/521698999.db2.gz BHTXEKMPYYKCCM-MRXNPFEDSA-N 1 0 402.489 3.854 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(F)c(F)c3)c(C)c2)CC1 ZINC000032772073 521699275 /nfs/dbraw/zinc/69/92/75/521699275.db2.gz DJYSFKILSGLROD-MRXNPFEDSA-N 1 0 402.489 3.854 50 0 HHAARO CC[C@H](CNC(=O)c1cc(Br)c(Br)s1)[NH+]1CCCC1 ZINC000032653222 522185636 /nfs/dbraw/zinc/18/56/36/522185636.db2.gz ZSUNECPXHVMMAS-SECBINFHSA-N 1 0 410.175 3.877 50 0 HHAARO C[N@H+](CCNC(=O)CC1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000032974454 522842765 /nfs/dbraw/zinc/84/27/65/522842765.db2.gz WJNNLCZLLQZRPG-UHFFFAOYSA-N 1 0 419.997 3.963 50 0 HHAARO COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000032930073 523790877 /nfs/dbraw/zinc/79/08/77/523790877.db2.gz NSTLFBBVBFKLPG-SFHVURJKSA-N 1 0 408.542 3.989 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)cc1OC ZINC000032905340 523940215 /nfs/dbraw/zinc/94/02/15/523940215.db2.gz HLVSBLDJJHWHFA-KRWDZBQOSA-N 1 0 413.518 3.532 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355883 524102731 /nfs/dbraw/zinc/10/27/31/524102731.db2.gz GKIRZNSLEGDCFS-CYBMUJFWSA-N 1 0 422.501 3.668 50 0 HHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc([C@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020599874 524384025 /nfs/dbraw/zinc/38/40/25/524384025.db2.gz LNHTVYXMFKWMCQ-JOCHJYFZSA-N 1 0 421.545 3.673 50 0 HHAARO C[S@](=O)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000032865829 525388833 /nfs/dbraw/zinc/38/88/33/525388833.db2.gz QVYCPCATGPZXGB-HHHXNRCGSA-N 1 0 404.963 3.613 50 0 HHAARO COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)NC4CC[NH+](C)CC4)c32)c1 ZINC000036619425 525741781 /nfs/dbraw/zinc/74/17/81/525741781.db2.gz QYLYIUNKQPJLSC-UHFFFAOYSA-N 1 0 406.486 3.600 50 0 HHAARO Cc1cnc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@@H+](C3CCCCC3)C2)cn1 ZINC000020572557 525966377 /nfs/dbraw/zinc/96/63/77/525966377.db2.gz YJSORYBZJBHPMQ-NRFANRHFSA-N 1 0 407.562 3.867 50 0 HHAARO Fc1ccc(-n2cc(C[NH2+]CCN3CCOCC3)c(-c3ccccc3Cl)n2)cc1 ZINC000020601453 526321786 /nfs/dbraw/zinc/32/17/86/526321786.db2.gz OSHHGLCSLPLCHG-UHFFFAOYSA-N 1 0 414.912 3.754 50 0 HHAARO O=C(CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000032769039 526388419 /nfs/dbraw/zinc/38/84/19/526388419.db2.gz VLMOFHHRVVCAPY-UHFFFAOYSA-N 1 0 422.525 3.723 50 0 HHAARO OCC[C@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1Cc1ccc(F)c(F)c1 ZINC000020600937 527571776 /nfs/dbraw/zinc/57/17/76/527571776.db2.gz LOGUSFOQXAHZOA-QFIPXVFZSA-N 1 0 415.528 3.502 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccccc2Cl)C1=O ZINC000002212572 535550220 /nfs/dbraw/zinc/55/02/20/535550220.db2.gz GCEXEQFACKFRMH-ORMOWBNMSA-N 1 0 409.917 3.942 50 0 HHAARO C[NH+](C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 ZINC000000585151 557018632 /nfs/dbraw/zinc/01/86/32/557018632.db2.gz QMGUOJYZJKLOLH-UHFFFAOYSA-N 1 0 412.493 3.642 50 0 aggregator,in-vivo HHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001448327 557267243 /nfs/dbraw/zinc/26/72/43/557267243.db2.gz HDTWBHIJSVWEBQ-JOCHJYFZSA-N 1 0 413.518 3.621 50 0 biogenic,in-vitro HHAARO CC[NH+](CC)CCN1C(=O)c2ccccc2N[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000001448326 557267248 /nfs/dbraw/zinc/26/72/48/557267248.db2.gz HDTWBHIJSVWEBQ-QFIPXVFZSA-N 1 0 413.518 3.621 50 0 biogenic,in-vitro HHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)noc1-c1cc(OC)cc(OC)c1 ZINC000022633550 557299041 /nfs/dbraw/zinc/29/90/41/557299041.db2.gz RUHGGAHPICKKRO-OAHLLOKOSA-N 1 0 403.523 3.908 50 0 HHAARO COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002703962 557369090 /nfs/dbraw/zinc/36/90/90/557369090.db2.gz SHOZPGXGSUJDIG-QFIPXVFZSA-N 1 0 420.509 3.915 50 0 HHAARO CCCCc1ccc(NC(=S)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000002836237 557399024 /nfs/dbraw/zinc/39/90/24/557399024.db2.gz DKRGCEPEYONZKV-UHFFFAOYSA-N 1 0 402.608 3.532 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccco2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740516 557443853 /nfs/dbraw/zinc/44/38/53/557443853.db2.gz PAGXHOBXHCWNQO-SIKLNZKXSA-N 1 0 402.510 3.765 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740527 557444121 /nfs/dbraw/zinc/44/41/21/557444121.db2.gz QNFNKYWEFPREMI-NFBKMPQASA-N 1 0 413.537 3.567 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 ZINC000004757437 557594834 /nfs/dbraw/zinc/59/48/34/557594834.db2.gz STBLYTFZNOQROG-UHFFFAOYSA-N 1 0 418.607 3.760 50 0 HHAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000005019641 557626524 /nfs/dbraw/zinc/62/65/24/557626524.db2.gz UGKPDVMLTFTRNN-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)CC1 ZINC000002779040 557761187 /nfs/dbraw/zinc/76/11/87/557761187.db2.gz OCLXKBDZDMCAQA-LLVKDONJSA-N 1 0 406.880 3.983 50 0 HHAARO CCOc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000002966391 557777792 /nfs/dbraw/zinc/77/77/92/557777792.db2.gz FHPUFHXFUIZRSA-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO O[C@@H](COc1ccccc1-c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022918037 558260750 /nfs/dbraw/zinc/26/07/50/558260750.db2.gz XRFMRRPTNKCBRI-XMMPIXPASA-N 1 0 402.538 3.911 50 0 HHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011706269 558270824 /nfs/dbraw/zinc/27/08/24/558270824.db2.gz PRLKWGCKHYEYAG-QHCPKHFHSA-N 1 0 409.574 3.925 50 0 HHAARO COCc1ccc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000011813824 558278281 /nfs/dbraw/zinc/27/82/81/558278281.db2.gz DLXMSPVTEBQWAW-HXUWFJFHSA-N 1 0 404.551 3.702 50 0 HHAARO C[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccc(Cl)cc2)CC1 ZINC000019796768 558284472 /nfs/dbraw/zinc/28/44/72/558284472.db2.gz FPWOMLDRMCZCHE-NRFANRHFSA-N 1 0 424.932 3.714 50 0 HHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000011873230 558291005 /nfs/dbraw/zinc/29/10/05/558291005.db2.gz NJLGVOTYHPRQJT-HSZRJFAPSA-N 1 0 420.513 3.752 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011874580 558292185 /nfs/dbraw/zinc/29/21/85/558292185.db2.gz XJRHAHBVEHAJEV-FQEVSTJZSA-N 1 0 418.497 3.510 50 0 HHAARO Cc1cc(C)c(-n2cccn2)c(C[NH2+]C[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)c1 ZINC000019839597 558293619 /nfs/dbraw/zinc/29/36/19/558293619.db2.gz MDEOKNOLWNATRX-TYBLODHISA-N 1 0 422.548 3.772 50 0 HHAARO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[NH2+]C[C@@H]1CCCO1 ZINC000011910435 558296698 /nfs/dbraw/zinc/29/66/98/558296698.db2.gz BSUKXFZRZCQEKA-HNNXBMFYSA-N 1 0 414.893 3.519 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccs4)C3)C2)c1OC ZINC000011953857 558303319 /nfs/dbraw/zinc/30/33/19/558303319.db2.gz NOOBJGHOARGYBZ-QFIPXVFZSA-N 1 0 400.544 3.894 50 0 HHAARO CO[C@@H](C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccccc1 ZINC000011998364 558307500 /nfs/dbraw/zinc/30/75/00/558307500.db2.gz XHUGRGRARYVJTQ-DHIUTWEWSA-N 1 0 408.542 3.704 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H]2COCCO2)c(F)c1 ZINC000012092487 558324519 /nfs/dbraw/zinc/32/45/19/558324519.db2.gz GXGCRHVTYQJWIX-HXUWFJFHSA-N 1 0 411.477 3.534 50 0 HHAARO Cc1c(C(=O)N2CC[C@@H]([NH+](C)C)C2)sc2ncnc(NCCCc3ccccc3)c12 ZINC000012163124 558342039 /nfs/dbraw/zinc/34/20/39/558342039.db2.gz MMCBKGIYEGWPLE-GOSISDBHSA-N 1 0 423.586 3.821 50 0 HHAARO CCn1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209416 558347193 /nfs/dbraw/zinc/34/71/93/558347193.db2.gz ACZGIABLTCIOOI-NRFANRHFSA-N 1 0 421.511 3.708 50 0 HHAARO O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012204816 558352339 /nfs/dbraw/zinc/35/23/39/558352339.db2.gz JAWANJHDDARNMU-UHFFFAOYSA-N 1 0 400.526 3.869 50 0 HHAARO COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCc2ccccc2Cl)cc1 ZINC000012218628 558354816 /nfs/dbraw/zinc/35/48/16/558354816.db2.gz IBNHORSQRWZMJI-FQEVSTJZSA-N 1 0 414.933 3.840 50 0 HHAARO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000020377110 558358737 /nfs/dbraw/zinc/35/87/37/558358737.db2.gz WLEKKAOOXDJPCT-CYBMUJFWSA-N 1 0 409.317 3.546 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000012297450 558367663 /nfs/dbraw/zinc/36/76/63/558367663.db2.gz UOIGHMYZAOUXQP-IBGZPJMESA-N 1 0 424.541 3.790 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3OC)oc2C)C1 ZINC000012298876 558369073 /nfs/dbraw/zinc/36/90/73/558369073.db2.gz JASKYEOPUKLTNW-KRWDZBQOSA-N 1 0 415.534 3.748 50 0 HHAARO CC[NH+](CC)CC(=O)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000012301035 558370851 /nfs/dbraw/zinc/37/08/51/558370851.db2.gz YFHWTONKKSARMK-UHFFFAOYSA-N 1 0 402.542 3.816 50 0 HHAARO CN(Cc1cccnc1)c1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cn1 ZINC000012304231 558373675 /nfs/dbraw/zinc/37/36/75/558373675.db2.gz NMALITILEKSLJF-UHFFFAOYSA-N 1 0 407.562 3.594 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1ccc2n[nH]nc2c1 ZINC000012305470 558374467 /nfs/dbraw/zinc/37/44/67/558374467.db2.gz KHZQFSYVDNYEOV-UHFFFAOYSA-N 1 0 411.937 3.638 50 0 HHAARO Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)o1 ZINC000012308144 558376467 /nfs/dbraw/zinc/37/64/67/558376467.db2.gz WJGZSDBSJUAHJW-UHFFFAOYSA-N 1 0 405.498 3.956 50 0 HHAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCc3ccccn3)n2)cc1 ZINC000012308613 558377008 /nfs/dbraw/zinc/37/70/08/558377008.db2.gz SEXCPDLIPHGOMM-HXUWFJFHSA-N 1 0 406.486 3.906 50 0 HHAARO COc1ccc(C[N@H+]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000012333271 558385786 /nfs/dbraw/zinc/38/57/86/558385786.db2.gz UWPNJDCQJVMWBY-UHFFFAOYSA-N 1 0 422.447 3.957 50 0 HHAARO COc1ccc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000012387458 558396385 /nfs/dbraw/zinc/39/63/85/558396385.db2.gz QLFUIJDMDPHWOX-MZMBWCASSA-N 1 0 418.537 3.983 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc(C)n(C)n2)CC1 ZINC000012387557 558396439 /nfs/dbraw/zinc/39/64/39/558396439.db2.gz PVYYKFHNQSYUBE-UHFFFAOYSA-N 1 0 412.578 3.748 50 0 HHAARO O=C(CCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1)NCc1cccnc1 ZINC000012387730 558396682 /nfs/dbraw/zinc/39/66/82/558396682.db2.gz LZBPSHXETKXDAI-UHFFFAOYSA-N 1 0 403.530 3.576 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012434950 558408614 /nfs/dbraw/zinc/40/86/14/558408614.db2.gz KGNWLOPCLXOSPX-HXUWFJFHSA-N 1 0 407.558 3.710 50 0 HHAARO CCc1nc(C)c(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)[nH]1 ZINC000012437814 558409486 /nfs/dbraw/zinc/40/94/86/558409486.db2.gz LCGDIZDFSJOWLF-UHFFFAOYSA-N 1 0 424.574 3.958 50 0 HHAARO CCn1nc(C)c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C ZINC000012439745 558411327 /nfs/dbraw/zinc/41/13/27/558411327.db2.gz OPTWGBIGBCEJHP-UHFFFAOYSA-N 1 0 410.562 3.799 50 0 HHAARO C[C@H](Cc1ccccc1F)[N@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012457103 558417549 /nfs/dbraw/zinc/41/75/49/558417549.db2.gz SEFFOPUJLQTDRQ-OAHLLOKOSA-N 1 0 418.896 3.873 50 0 HHAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012457466 558417795 /nfs/dbraw/zinc/41/77/95/558417795.db2.gz DHFDKUAEXIXZER-SFHVURJKSA-N 1 0 400.475 3.744 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@@H](C)CC(F)(F)F)CC2)c1 ZINC000012474088 558422256 /nfs/dbraw/zinc/42/22/56/558422256.db2.gz OQGKHHODGGHRPA-ZDUSSCGKSA-N 1 0 400.441 3.772 50 0 HHAARO COc1cc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCCCC2)cc(OC)c1OC ZINC000021170810 558432920 /nfs/dbraw/zinc/43/29/20/558432920.db2.gz HPHIHGMOBLGWIU-LJQANCHMSA-N 1 0 404.551 3.973 50 0 HHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000012592383 558436118 /nfs/dbraw/zinc/43/61/18/558436118.db2.gz MCVCFTPZHJHVNR-UHFFFAOYSA-N 1 0 401.503 3.823 50 0 HHAARO COC(=O)c1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC000012702056 558448074 /nfs/dbraw/zinc/44/80/74/558448074.db2.gz RTGNOMHXMPDPEQ-UHFFFAOYSA-N 1 0 412.505 3.639 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1 ZINC000004359540 558456658 /nfs/dbraw/zinc/45/66/58/558456658.db2.gz OILNBQZWRTZFAG-UHFFFAOYSA-N 1 0 411.527 3.990 50 0 HHAARO O=C(c1ccoc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012752471 558459375 /nfs/dbraw/zinc/45/93/75/558459375.db2.gz MTGAXJGMRSJVEA-XMMPIXPASA-N 1 0 408.542 3.780 50 0 HHAARO O=C(CN[C@@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012802744 558472245 /nfs/dbraw/zinc/47/22/45/558472245.db2.gz VRXMMHHXBXJTRR-XUZZJYLKSA-N 1 0 423.557 3.957 50 0 HHAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[NH2+]CCN1CCOCC1 ZINC000022774274 558509051 /nfs/dbraw/zinc/50/90/51/558509051.db2.gz IKJLCDVBKVMFES-UHFFFAOYSA-N 1 0 410.493 3.534 50 0 HHAARO Cc1cccn2c(=O)cc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc12 ZINC000022779890 558509797 /nfs/dbraw/zinc/50/97/97/558509797.db2.gz DVXNDWJYZLEXOG-UHFFFAOYSA-N 1 0 424.548 3.910 50 0 HHAARO c1[nH]nc(-c2cccc3ccccc32)c1C[NH2+]C[C@@H](c1ccncc1)N1CCOCC1 ZINC000022913114 558520330 /nfs/dbraw/zinc/52/03/30/558520330.db2.gz XZEAKBGYMXVTKS-DEOSSOPVSA-N 1 0 413.525 3.788 50 0 HHAARO CN(C)c1nc(Cl)c(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)s1 ZINC000022914346 558521107 /nfs/dbraw/zinc/52/11/07/558521107.db2.gz JCNKMFIMNSOLFX-GOSISDBHSA-N 1 0 420.026 3.649 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000010891832 558542569 /nfs/dbraw/zinc/54/25/69/558542569.db2.gz KZQJYCZGFTVHBM-SFHVURJKSA-N 1 0 414.377 3.737 50 0 HHAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374658 558554057 /nfs/dbraw/zinc/55/40/57/558554057.db2.gz JIGSNCQNCGVDRW-LHLOKTHNSA-N 1 0 419.569 3.711 50 0 HHAARO COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(CCC[NH+](C)C)CO4)cc1OC ZINC000013685487 558569323 /nfs/dbraw/zinc/56/93/23/558569323.db2.gz AOWBUFHLSFUUGY-UHFFFAOYSA-N 1 0 424.497 3.581 50 0 HHAARO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000023908471 558581127 /nfs/dbraw/zinc/58/11/27/558581127.db2.gz CLRXPTNMBCAPNK-XMMPIXPASA-N 1 0 402.494 3.950 50 0 HHAARO C[C@@H]([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccs1 ZINC000014142363 558625456 /nfs/dbraw/zinc/62/54/56/558625456.db2.gz NAJSUZJGAMTHKX-MRXNPFEDSA-N 1 0 421.588 3.602 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1ccsc1 ZINC000025814487 558650756 /nfs/dbraw/zinc/65/07/56/558650756.db2.gz MYUDBWJQWJSPSG-MRXNPFEDSA-N 1 0 407.333 3.706 50 0 HHAARO C[C@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000026173128 558656767 /nfs/dbraw/zinc/65/67/67/558656767.db2.gz WYTWCMWAKPFZQN-MSOLQXFVSA-N 1 0 420.557 3.842 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1cccs1)C2 ZINC000014743792 558668031 /nfs/dbraw/zinc/66/80/31/558668031.db2.gz SXMDXIDUILJZGW-KRWDZBQOSA-N 1 0 400.592 3.670 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)CSCC(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000027087165 558669459 /nfs/dbraw/zinc/66/94/59/558669459.db2.gz UZNKEARHAOSUHA-OAQYLSRUSA-N 1 0 413.587 3.866 50 0 HHAARO Cc1ccc(NC(=O)N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1Cl ZINC000072270833 558673523 /nfs/dbraw/zinc/67/35/23/558673523.db2.gz BSABOQGDHXDDHG-UHFFFAOYSA-N 1 0 420.985 3.885 50 0 HHAARO Cc1cc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)nc(C(C)C)n1 ZINC000027545733 558674503 /nfs/dbraw/zinc/67/45/03/558674503.db2.gz RRJUFOSCZGTXBM-UHFFFAOYSA-N 1 0 412.563 3.775 50 0 HHAARO C[N@@H+]1CCCN(C(=O)[C@@H]2CC23CCN(C/C(Cl)=C/c2ccccc2)CC3)CC1 ZINC000014953930 558681717 /nfs/dbraw/zinc/68/17/17/558681717.db2.gz BGKCSEGBOWRPAW-LDETYFQJSA-N 1 0 401.982 3.533 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](Cc4cccc5nonc54)C3)C2)c1 ZINC000014955557 558682195 /nfs/dbraw/zinc/68/21/95/558682195.db2.gz AIICRLOWZVFDHU-HSZRJFAPSA-N 1 0 410.493 3.859 50 0 HHAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000014955636 558682264 /nfs/dbraw/zinc/68/22/64/558682264.db2.gz MOJABNPCIKVSHX-GOSISDBHSA-N 1 0 423.483 3.579 50 0 HHAARO CC(C)=CCC[C@@H](C)C[N@H+]1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014980541 558691071 /nfs/dbraw/zinc/69/10/71/558691071.db2.gz AZWYUZJTAYIZQH-QGZVFWFLSA-N 1 0 413.566 3.659 50 0 HHAARO COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H]([NH+]1CCCCC1)C3 ZINC000014988906 558693536 /nfs/dbraw/zinc/69/35/36/558693536.db2.gz YHLBYIIULYRIQW-QGZVFWFLSA-N 1 0 409.555 3.858 50 0 HHAARO C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072277371 558703498 /nfs/dbraw/zinc/70/34/98/558703498.db2.gz LPDKOVIRMUYWOW-NFBKMPQASA-N 1 0 409.574 3.660 50 0 HHAARO C[C@@H](CCn1cccn1)[NH+]1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000015066918 558709935 /nfs/dbraw/zinc/70/99/35/558709935.db2.gz WVFTXZBLNXCOBX-FQEVSTJZSA-N 1 0 410.562 3.831 50 0 HHAARO O=C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1cccc(F)c1 ZINC000015071316 558713002 /nfs/dbraw/zinc/71/30/02/558713002.db2.gz VVSYXDGBFDPENE-UHFFFAOYSA-N 1 0 409.549 3.567 50 0 HHAARO COc1cc([C@@H]2ON=C(C[NH2+]Cc3ccc(Cl)cc3)[C@H]2C)c(OC)c2c1OCO2 ZINC000015085724 558720374 /nfs/dbraw/zinc/72/03/74/558720374.db2.gz RFNMMGDMDRSNEJ-KZULUSFZSA-N 1 0 418.877 3.939 50 0 HHAARO FC(F)Oc1ccc(Br)cc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000030634112 558734596 /nfs/dbraw/zinc/73/45/96/558734596.db2.gz IYXPZXMBCUCHED-UHFFFAOYSA-N 1 0 423.261 3.980 50 0 HHAARO COc1cc(C[NH+]2CCC(C(=O)NC3CCCCCC3)CC2)cc(OC)c1OC ZINC000015855950 558756844 /nfs/dbraw/zinc/75/68/44/558756844.db2.gz DDWNYVHBPWPXGL-UHFFFAOYSA-N 1 0 404.551 3.763 50 0 HHAARO O=C(c1ccc(SCC[NH+]2CCCCC2)nc1)N1CCN(c2ccccc2)CC1 ZINC000033274469 558763815 /nfs/dbraw/zinc/76/38/15/558763815.db2.gz FXRIDHLIACETER-UHFFFAOYSA-N 1 0 410.587 3.622 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)NCCC[C@@](C)(CC)C2OCCO2)CC1 ZINC000072306199 558765095 /nfs/dbraw/zinc/76/50/95/558765095.db2.gz IVCJQFVHWWIXBC-HSZRJFAPSA-N 1 0 418.582 3.519 50 0 HHAARO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004585917 558781363 /nfs/dbraw/zinc/78/13/63/558781363.db2.gz UFXLININODCTHK-JOCHJYFZSA-N 1 0 404.526 3.838 50 0 HHAARO CCN(CC)c1onc(-c2ccc(F)cc2)c1CN(CC[NH+](C)C)C(=O)C(C)C ZINC000036249316 558798767 /nfs/dbraw/zinc/79/87/67/558798767.db2.gz WTYBSHSCENWKNW-UHFFFAOYSA-N 1 0 404.530 3.873 50 0 HHAARO Cc1cc2nc3sc(C(=O)NCC[N@@H+](C)C4CCCCC4)cc(=O)n3c2cc1C ZINC000033009120 558828308 /nfs/dbraw/zinc/82/83/08/558828308.db2.gz CAIDVFDTULNRQF-UHFFFAOYSA-N 1 0 412.559 3.520 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000019143830 558846396 /nfs/dbraw/zinc/84/63/96/558846396.db2.gz HHYWISDZPYYVPE-QFIPXVFZSA-N 1 0 406.574 3.731 50 0 HHAARO O=c1c(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)coc2ccc(Cl)cc12 ZINC000019225491 558852591 /nfs/dbraw/zinc/85/25/91/558852591.db2.gz YEXOWZSOQNYHEK-LJQANCHMSA-N 1 0 404.938 3.648 50 0 HHAARO Cc1ccc2[nH]c(N3CCC[C@H](C(=O)NCCC[N@@H+](C)C4CCCCC4)C3)nc2c1 ZINC000033072155 558866831 /nfs/dbraw/zinc/86/68/31/558866831.db2.gz RQOHMKRWGOOVBS-IBGZPJMESA-N 1 0 411.594 3.859 50 0 HHAARO Cc1ccc(C2(c3noc(CN4CCN(c5cc[nH+]cc5)CC4)n3)CCCC2)cc1 ZINC000055133367 558873857 /nfs/dbraw/zinc/87/38/57/558873857.db2.gz FOMVYUDCMNWGTD-UHFFFAOYSA-N 1 0 403.530 3.955 50 0 HHAARO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccccc1Cl ZINC000019361932 558876590 /nfs/dbraw/zinc/87/65/90/558876590.db2.gz WSHGPVUMULZJFU-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCCCN1CC[NH+](C3CCCCC3)CC1)C2=O ZINC000019367051 558877128 /nfs/dbraw/zinc/87/71/28/558877128.db2.gz PONXEBDYEQQOSP-GBXCKJPGSA-N 1 0 403.611 3.528 50 0 HHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CCCCCC4)c(C)c32)CC1 ZINC000033048340 558885402 /nfs/dbraw/zinc/88/54/02/558885402.db2.gz WTNUWAGRMJVERE-UHFFFAOYSA-N 1 0 401.580 3.594 50 0 HHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)N[C@@H](C)c4ccccc4)c(C)c32)CC1 ZINC000033048364 558885550 /nfs/dbraw/zinc/88/55/50/558885550.db2.gz AEBZYQLFVCBGQD-INIZCTEOSA-N 1 0 409.559 3.633 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)N(C)Cc4ccccc4)c(C)c32)CC1 ZINC000033048374 558885563 /nfs/dbraw/zinc/88/55/63/558885563.db2.gz QBPVHUIVDDEYAH-UHFFFAOYSA-N 1 0 423.586 3.804 50 0 HHAARO COc1ccc(CC[NH2+]C[C@H](O)c2cccc(Br)c2)c(Cl)c1OC ZINC000004689989 558899576 /nfs/dbraw/zinc/89/95/76/558899576.db2.gz GAKKCKOWLURTEK-HNNXBMFYSA-N 1 0 414.727 3.985 50 0 HHAARO C[C@@H](CNC(=O)NCCc1cc(Br)ccc1F)C[NH+]1CCCCC1 ZINC000058161958 558905922 /nfs/dbraw/zinc/90/59/22/558905922.db2.gz OZIKKDCKOMAMSA-AWEZNQCLSA-N 1 0 400.336 3.552 50 0 HHAARO CN(C[C@@H](NC(=O)Cc1cccc2cccnc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058210603 558912065 /nfs/dbraw/zinc/91/20/65/558912065.db2.gz JZLLGBLEYDWDHE-XMMPIXPASA-N 1 0 416.569 3.661 50 0 HHAARO O=C(NC[C@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(OCc2cccs2)cc1 ZINC000058331395 558920146 /nfs/dbraw/zinc/92/01/46/558920146.db2.gz VBZBPNSCOVIEGT-LAUBAEHRSA-N 1 0 415.559 3.950 50 0 HHAARO COc1ccc(F)cc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058406813 558924752 /nfs/dbraw/zinc/92/47/52/558924752.db2.gz OQHABXCMSOTJIF-HNNXBMFYSA-N 1 0 403.473 3.998 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058420980 558925850 /nfs/dbraw/zinc/92/58/50/558925850.db2.gz HBNNDWATDWCNGP-VQTJNVASSA-N 1 0 413.512 3.820 50 0 HHAARO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](CCc4ccccn4)C3)CC2)c1 ZINC000072144482 558929576 /nfs/dbraw/zinc/92/95/76/558929576.db2.gz ZHEUDDWSXSRLRF-QFIPXVFZSA-N 1 0 418.507 3.930 50 0 HHAARO CC[NH+](CC)CCOc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1OC ZINC000059850540 558939415 /nfs/dbraw/zinc/93/94/15/558939415.db2.gz QENDCVKFNKGGJD-UHFFFAOYSA-N 1 0 407.514 3.894 50 0 HHAARO O=C(c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000060374126 558942064 /nfs/dbraw/zinc/94/20/64/558942064.db2.gz WRGSFMPXFCZKEE-HNNXBMFYSA-N 1 0 412.843 3.855 50 0 HHAARO OCC[C@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019595414 558946089 /nfs/dbraw/zinc/94/60/89/558946089.db2.gz ZHIVGRALHDLEIU-NRFANRHFSA-N 1 0 410.949 3.595 50 0 HHAARO CCn1c2ccccc2nc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000019607590 558946623 /nfs/dbraw/zinc/94/66/23/558946623.db2.gz QZJCZFHGECHCTA-QFIPXVFZSA-N 1 0 403.574 3.843 50 0 HHAARO CCOC(=O)c1c(NC(=O)C[NH2+]Cc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000061937913 558947431 /nfs/dbraw/zinc/94/74/31/558947431.db2.gz XQRFJMYNDZKOOU-UHFFFAOYSA-N 1 0 402.516 3.504 50 0 HHAARO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063855454 558959609 /nfs/dbraw/zinc/95/96/09/558959609.db2.gz VFLIFDOOJMXPBY-INIZCTEOSA-N 1 0 409.509 3.985 50 0 HHAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCNC(=O)CC2)cc1OC ZINC000072479175 558983818 /nfs/dbraw/zinc/98/38/18/558983818.db2.gz UVIRDTRBTISQAJ-UHFFFAOYSA-N 1 0 405.498 3.549 50 0 HHAARO Cc1cc(-n2c(C)cc(C[NH2+]C[C@H](c3cccs3)N3CCN(C)CC3)c2C)no1 ZINC000022015875 558984299 /nfs/dbraw/zinc/98/42/99/558984299.db2.gz BUCCFVRURUDKOE-HXUWFJFHSA-N 1 0 413.591 3.530 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)cc1 ZINC000022277003 558987012 /nfs/dbraw/zinc/98/70/12/558987012.db2.gz CQRYTNMUINLBPY-QFIPXVFZSA-N 1 0 401.595 3.866 50 0 HHAARO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)c1 ZINC000067604730 558988627 /nfs/dbraw/zinc/98/86/27/558988627.db2.gz RPYZOBGBVWAMGX-UHFFFAOYSA-N 1 0 408.477 3.713 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3cccc4ccccc43)CC2)nc(N2CCCC2)[nH+]1 ZINC000067604875 558988683 /nfs/dbraw/zinc/98/86/83/558988683.db2.gz NUKVIMBPIGIHEU-UHFFFAOYSA-N 1 0 401.514 3.501 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(C(=O)N(C)Cc2nc(-c3ccccc3)no2)CC1 ZINC000067623014 558990112 /nfs/dbraw/zinc/99/01/12/558990112.db2.gz OLGMKGLFWWESDF-UHFFFAOYSA-N 1 0 404.514 3.916 50 0 HHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccc(C)cc4)no3)CC2)cc1 ZINC000067629864 558990220 /nfs/dbraw/zinc/99/02/20/558990220.db2.gz MYSJVMWSOUTNCI-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000067847595 558993815 /nfs/dbraw/zinc/99/38/15/558993815.db2.gz PNJIUJKDJLPRDK-KRWDZBQOSA-N 1 0 405.420 3.899 50 0 HHAARO Cc1ccnn1CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000077345047 559001973 /nfs/dbraw/zinc/00/19/73/559001973.db2.gz IWVRXLGWAGDTAJ-FQEVSTJZSA-N 1 0 402.970 3.648 50 0 HHAARO COc1cc(C)c(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127646 559016026 /nfs/dbraw/zinc/01/60/26/559016026.db2.gz QHBWCEOLVTYIRB-UHFFFAOYSA-N 1 0 402.560 3.503 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(Cl)cc2Cl)[nH+]1 ZINC000082230420 559042739 /nfs/dbraw/zinc/04/27/39/559042739.db2.gz VGZPDIGLWYPTLU-UHFFFAOYSA-N 1 0 408.333 3.924 50 0 HHAARO CC(C)(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023224699 559062658 /nfs/dbraw/zinc/06/26/58/559062658.db2.gz IPRUSLAWLIOMOF-QHCPKHFHSA-N 1 0 412.574 3.563 50 0 HHAARO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@@H+]1Cc1cccs1 ZINC000095508633 559083509 /nfs/dbraw/zinc/08/35/09/559083509.db2.gz MADWWQPWNAMDTR-IBGZPJMESA-N 1 0 404.963 3.746 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2c[nH]cn2)CC1 ZINC000095528937 559086461 /nfs/dbraw/zinc/08/64/61/559086461.db2.gz WROMWLRNEMOJJC-UHFFFAOYSA-N 1 0 403.530 3.668 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)CC1 ZINC000097468993 559118945 /nfs/dbraw/zinc/11/89/45/559118945.db2.gz AFJONKXKVPKHIE-HSZRJFAPSA-N 1 0 415.585 3.967 50 0 HHAARO CCN1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2cccc3c2OCO3)C[C@@]1(C)CO ZINC000097468995 559118976 /nfs/dbraw/zinc/11/89/76/559118976.db2.gz UOTWNGAPCSZWCF-JZWVFAODSA-N 1 0 416.949 3.992 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)C)cc1 ZINC000023321522 559126253 /nfs/dbraw/zinc/12/62/53/559126253.db2.gz FCLWVORFAQRVIW-UHFFFAOYSA-N 1 0 424.549 3.816 50 0 HHAARO COc1cc2nc(N3CCCC3)nc(NCCCCC[NH+]3CCCC3)c2cc1OC ZINC000098214604 559128307 /nfs/dbraw/zinc/12/83/07/559128307.db2.gz WEXCGGWTIDNVNT-UHFFFAOYSA-N 1 0 413.566 3.925 50 0 in-vitro HHAARO CCOc1ccccc1N1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000023466480 559175788 /nfs/dbraw/zinc/17/57/88/559175788.db2.gz SKKKFWFOKFFSKZ-ZJSXRUAMSA-N 1 0 410.558 3.662 50 0 HHAARO O=C(c1cc(-c2cccnc2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199271 559189882 /nfs/dbraw/zinc/18/98/82/559189882.db2.gz XXEFNKUKVVUJPS-TWRVUUBYSA-N 1 0 403.530 3.507 50 0 HHAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccncc3)=NN12 ZINC000005093238 559244130 /nfs/dbraw/zinc/24/41/30/559244130.db2.gz RMKUEKOZFGENHR-SFHVURJKSA-N 1 0 413.319 3.810 50 0 HHAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cnn(-c4ccccc4)c3)[N@@H+]3CCC[C@@]123 ZINC000011815471 559260373 /nfs/dbraw/zinc/26/03/73/559260373.db2.gz LQPPDYYHHJFVCM-GVUKDKGQSA-N 1 0 412.537 3.853 50 0 HHAARO O=C(Cc1cccc(C(F)(F)F)c1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000046623245 560559755 /nfs/dbraw/zinc/55/97/55/560559755.db2.gz BNTHOLVAXICJRT-UHFFFAOYSA-N 1 0 419.491 3.572 50 0 HHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cccnc2n(Cc2ccccc2)c1=O ZINC000005304292 560562954 /nfs/dbraw/zinc/56/29/54/560562954.db2.gz VJFQHLMHPYPDGT-IBGZPJMESA-N 1 0 420.557 3.685 50 0 HHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3cc(C)ccc3C)c(=O)c2C1 ZINC000062007145 560566358 /nfs/dbraw/zinc/56/63/58/560566358.db2.gz OGTNDSGMFBFQMV-UHFFFAOYSA-N 1 0 416.525 3.544 50 0 HHAARO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC)c2cc(OC)ccc2n1C ZINC000005490240 560598089 /nfs/dbraw/zinc/59/80/89/560598089.db2.gz NEMWHDCVHYOYMG-HNNXBMFYSA-N 1 0 401.507 3.567 50 0 HHAARO CCOc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)[nH]n2)cc1 ZINC000051315884 560856175 /nfs/dbraw/zinc/85/61/75/560856175.db2.gz YNLDMUOGALQLPI-UHFFFAOYSA-N 1 0 404.514 3.654 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000106395612 560891183 /nfs/dbraw/zinc/89/11/83/560891183.db2.gz INFIXQIOBXSUDV-RBUKOAKNSA-N 1 0 418.557 3.840 50 0 HHAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000106920222 560894505 /nfs/dbraw/zinc/89/45/05/560894505.db2.gz JWPAGRZVYIALCU-ZJSXRUAMSA-N 1 0 408.542 3.839 50 0 HHAARO COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000107072695 560895271 /nfs/dbraw/zinc/89/52/71/560895271.db2.gz GTXXAQVDPOWIJP-GVAUOCQISA-N 1 0 422.569 3.703 50 0 HHAARO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc1F ZINC000047892066 568431502 /nfs/dbraw/zinc/43/15/02/568431502.db2.gz HAEMJOBDONXAJW-UHFFFAOYSA-N 1 0 406.505 3.848 50 0 HHAARO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000048184593 568432437 /nfs/dbraw/zinc/43/24/37/568432437.db2.gz WNQAZXYDEHVLSD-XOBRGWDASA-N 1 0 403.523 3.684 50 0 HHAARO CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000048184595 568432448 /nfs/dbraw/zinc/43/24/48/568432448.db2.gz WNQAZXYDEHVLSD-VBKZILBWSA-N 1 0 403.523 3.684 50 0 HHAARO O=C(c1ccc2n1CC[C@H]2C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000051364400 568436943 /nfs/dbraw/zinc/43/69/43/568436943.db2.gz YPDAUWKTCLMJPL-OAQYLSRUSA-N 1 0 405.542 3.683 50 0 HHAARO CC(C)[NH+]1CCC(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1 ZINC000048302045 568437524 /nfs/dbraw/zinc/43/75/24/568437524.db2.gz PAYQWMLKWJJALN-HSZRJFAPSA-N 1 0 423.557 3.513 50 0 HHAARO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 ZINC000048333432 568439630 /nfs/dbraw/zinc/43/96/30/568439630.db2.gz QWTUJOGJDKYOCL-UHFFFAOYSA-N 1 0 417.619 3.594 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000048364241 568441811 /nfs/dbraw/zinc/44/18/11/568441811.db2.gz SPOMBSSZWBOLDJ-SFHVURJKSA-N 1 0 406.885 3.602 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2ccc(Cl)cc2s1 ZINC000012286699 568458696 /nfs/dbraw/zinc/45/86/96/568458696.db2.gz IGXJFNZVPQBQFH-UHFFFAOYSA-N 1 0 405.955 3.980 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C/c1ccc(Cl)cc1)O2 ZINC000032983613 568510198 /nfs/dbraw/zinc/51/01/98/568510198.db2.gz RJQSMSBKGHYSQX-MOSHPQCFSA-N 1 0 411.889 3.538 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4ccccc4)ccc3n2)CC1 ZINC000033084666 568511000 /nfs/dbraw/zinc/51/10/00/568511000.db2.gz HGTPXDVCZFKTNN-UHFFFAOYSA-N 1 0 404.514 3.703 50 0 HHAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3cc4ccc(C)cc4nc3s2)CC1 ZINC000020178745 568593010 /nfs/dbraw/zinc/59/30/10/568593010.db2.gz JISQVPDMFBRJAN-UHFFFAOYSA-N 1 0 410.587 3.905 50 0 HHAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000020214617 568594682 /nfs/dbraw/zinc/59/46/82/568594682.db2.gz CTEHOTDYYWVWMF-NRFANRHFSA-N 1 0 415.534 3.521 50 0 HHAARO C[NH+](C)CCCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccccc1 ZINC000039845669 568605073 /nfs/dbraw/zinc/60/50/73/568605073.db2.gz HXJUERNSDZLTTI-UHFFFAOYSA-N 1 0 403.479 3.677 50 0 HHAARO COC(=O)C1CCN(CCC[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000095448117 568612507 /nfs/dbraw/zinc/61/25/07/568612507.db2.gz JZTMJBBCHQCNTQ-UHFFFAOYSA-N 1 0 413.537 3.541 50 0 HHAARO c1cc(-c2nc3ccccc3c(NC[C@@H]([C@H]3CCOC3)[NH+]3CCOCC3)n2)cs1 ZINC000040051253 568613073 /nfs/dbraw/zinc/61/30/73/568613073.db2.gz GGGAUBKPRTWGFG-JXFKEZNVSA-N 1 0 410.543 3.508 50 0 HHAARO O=C(OC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1COC(=O)c1ccoc1)c1ccoc1 ZINC000095450731 568614272 /nfs/dbraw/zinc/61/42/72/568614272.db2.gz MQKWBSWVQUYDSV-SFTDATJTSA-N 1 0 409.438 3.635 50 0 HHAARO CC(C)c1ccc(-c2c(=O)c(=O)c2NCCCN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020510308 568621076 /nfs/dbraw/zinc/62/10/76/568621076.db2.gz OCVDTXDNMFLPQV-UHFFFAOYSA-N 1 0 423.601 3.825 50 0 HHAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H](C)N3Cc4ccccc4C3=O)CC2)c1 ZINC000020531636 568627253 /nfs/dbraw/zinc/62/72/53/568627253.db2.gz DINIOMMPOPZYOO-HXUWFJFHSA-N 1 0 419.569 3.676 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020867121 568646761 /nfs/dbraw/zinc/64/67/61/568646761.db2.gz STFFHTAQFYYWAD-UHFFFAOYSA-N 1 0 420.600 3.944 50 0 HHAARO COc1ccc(Br)c(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000225533138 568648101 /nfs/dbraw/zinc/64/81/01/568648101.db2.gz MQXYTFPYKYEJET-UHFFFAOYSA-N 1 0 401.308 3.880 50 0 HHAARO COc1ccc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000021018029 568657939 /nfs/dbraw/zinc/65/79/39/568657939.db2.gz MKCSKVFADTWOSR-UHFFFAOYSA-N 1 0 406.486 3.609 50 0 HHAARO O=C(O[C@@H]1CC[N@H+](CCc2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000096026673 568686754 /nfs/dbraw/zinc/68/67/54/568686754.db2.gz GPQNKPHQEHQXEP-XMMPIXPASA-N 1 0 401.506 3.783 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4ccccc4OC)ccc3n2)CC1 ZINC000021348331 568687578 /nfs/dbraw/zinc/68/75/78/568687578.db2.gz CWWCHJRGTURXRX-UHFFFAOYSA-N 1 0 404.514 3.946 50 0 HHAARO COc1ccc(CNC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000229428253 568713970 /nfs/dbraw/zinc/71/39/70/568713970.db2.gz JJYFSVXSZXCTHI-UYAOXDASSA-N 1 0 402.560 3.741 50 0 HHAARO c1ccc(C(c2ccccc2)[NH+]2CCN(c3nn4nnnc4c4ccccc43)CC2)cc1 ZINC000021777464 568752244 /nfs/dbraw/zinc/75/22/44/568752244.db2.gz LRWYQHRBMGUUED-UHFFFAOYSA-N 1 0 421.508 3.584 50 0 HHAARO CC1=C(C(=O)NCCCc2ccccc2)C2(CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000021868336 568755914 /nfs/dbraw/zinc/75/59/14/568755914.db2.gz RSCYLYSFZCEANX-UHFFFAOYSA-N 1 0 418.537 3.644 50 0 biogenic HHAARO Cc1ccc(Nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)cc1 ZINC000021928906 568761542 /nfs/dbraw/zinc/76/15/42/568761542.db2.gz HELYYNPGNANDLE-UHFFFAOYSA-N 1 0 405.550 3.870 50 0 HHAARO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000022573241 568769812 /nfs/dbraw/zinc/76/98/12/568769812.db2.gz NVUWMMDUCVBMRY-HXUWFJFHSA-N 1 0 408.464 3.884 50 0 HHAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1cccc(OC)c1 ZINC000002693643 568801264 /nfs/dbraw/zinc/80/12/64/568801264.db2.gz KJUGIQBEEUDIHZ-UHFFFAOYSA-N 1 0 407.539 3.780 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000261492627 568820596 /nfs/dbraw/zinc/82/05/96/568820596.db2.gz VONONHAIAHFEMF-UHFFFAOYSA-N 1 0 410.522 3.624 50 0 HHAARO Cc1csc(Sc2ccc(NC(=O)NCCN3C[C@H](C)O[C@@H](C)C3)cc2)n1 ZINC000063163010 568825828 /nfs/dbraw/zinc/82/58/28/568825828.db2.gz CQPPDXVHKSJUOX-GJZGRUSLSA-N 1 0 406.577 3.833 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@]1(Nc1ccc(Br)cc1)C(N)=O ZINC000230142473 568852432 /nfs/dbraw/zinc/85/24/32/568852432.db2.gz LSKQHNKOLJTEPH-QRWLVFNGSA-N 1 0 402.336 3.627 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012551244 568853110 /nfs/dbraw/zinc/85/31/10/568853110.db2.gz YAPLESTUCJFKDN-PZJWPPBQSA-N 1 0 415.509 3.517 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3C)cc2C)CC1 ZINC000057866377 568864400 /nfs/dbraw/zinc/86/44/00/568864400.db2.gz VIXXBPYNCINHAD-UHFFFAOYSA-N 1 0 410.562 3.988 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000003318022 568879683 /nfs/dbraw/zinc/87/96/83/568879683.db2.gz NZBGQLIWJLRJSE-QGZVFWFLSA-N 1 0 416.934 3.901 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)c(Br)[nH]1 ZINC000004038189 568879842 /nfs/dbraw/zinc/87/98/42/568879842.db2.gz CKODBFUOXJVMPX-JTQLQIEISA-N 1 0 407.150 3.534 50 0 HHAARO CC1CC[NH+]([C@@H](CNC(=O)NCc2ccc3c(c2)OCO3)c2cccs2)CC1 ZINC000030988832 568907710 /nfs/dbraw/zinc/90/77/10/568907710.db2.gz CIGJNKOPOOJNBJ-KRWDZBQOSA-N 1 0 401.532 3.749 50 0 HHAARO O[C@@H](COc1ccccc1F)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000025753534 568913746 /nfs/dbraw/zinc/91/37/46/568913746.db2.gz PKEMZCLTVPLYPO-GOSISDBHSA-N 1 0 400.519 3.598 50 0 HHAARO C[C@H](CNC(=O)NCc1cccnc1OC1CCCC1)N1CCc2sccc2C1 ZINC000031124270 568914704 /nfs/dbraw/zinc/91/47/04/568914704.db2.gz WGJVXYKESNPKOL-MRXNPFEDSA-N 1 0 414.575 3.711 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000229660439 568952914 /nfs/dbraw/zinc/95/29/14/568952914.db2.gz VOQLNPKKMQJCHV-SKPFHBQLSA-N 1 0 407.514 3.732 50 0 HHAARO C=C1C(N2CCC([NH+]3CCCCC3)CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000015672079 568962426 /nfs/dbraw/zinc/96/24/26/568962426.db2.gz PXGNZHYCXNJDKG-UHFFFAOYSA-N 1 0 407.967 3.763 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676918 568965003 /nfs/dbraw/zinc/96/50/03/568965003.db2.gz FEJSQVBVXKVZHN-LJQANCHMSA-N 1 0 419.573 3.695 50 0 HHAARO O=C(COc1cccc(Br)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011612 568968193 /nfs/dbraw/zinc/96/81/93/568968193.db2.gz BDZPFXFEKNJXJL-UHFFFAOYSA-N 1 0 403.320 3.740 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000008012781 568968399 /nfs/dbraw/zinc/96/83/99/568968399.db2.gz DOZWPAQXUQXCBP-UHFFFAOYSA-N 1 0 411.571 3.513 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+](C)C)cc1 ZINC000012797627 568976428 /nfs/dbraw/zinc/97/64/28/568976428.db2.gz RGAMGITUBPYRQM-FGZHOGPDSA-N 1 0 413.537 3.562 50 0 HHAARO CCOC(=O)c1c(C)oc2nc(C)nc(NCCC[N@@H+]3CCc4ccccc4C3)c21 ZINC000015727425 568978301 /nfs/dbraw/zinc/97/83/01/568978301.db2.gz GWEDCOKVQZAQQN-UHFFFAOYSA-N 1 0 408.502 3.877 50 0 HHAARO Cc1cccc(NC(=O)CNC(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000012810620 568984934 /nfs/dbraw/zinc/98/49/34/568984934.db2.gz BWEUUEODRDZOJU-OAHLLOKOSA-N 1 0 407.436 3.728 50 0 HHAARO COc1cccc([C@@H](C[NH2+][C@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323983 568990728 /nfs/dbraw/zinc/99/07/28/568990728.db2.gz HFXROQJCCNMMGU-DYESRHJHSA-N 1 0 421.541 3.918 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1ccccc1NC(=O)Cc1ccccc1)c1ccccc1 ZINC000008428365 569002410 /nfs/dbraw/zinc/00/24/10/569002410.db2.gz LCOQUURZRMDKRW-HSZRJFAPSA-N 1 0 401.510 3.901 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2C)C[C@H]1CCO ZINC000104450191 569008643 /nfs/dbraw/zinc/00/86/43/569008643.db2.gz DYMOQTRCRHWMGE-RUZDIDTESA-N 1 0 404.558 3.558 50 0 HHAARO COc1ccccc1N1CCC([N@@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)CC1 ZINC000105625720 569009138 /nfs/dbraw/zinc/00/91/38/569009138.db2.gz UWPBSMRLJVODTO-XMMPIXPASA-N 1 0 423.601 3.541 50 0 HHAARO C[C@@H]1C[N@H+](C[C@H](O)c2ccc(Cl)cc2)CCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000035269002 569015742 /nfs/dbraw/zinc/01/57/42/569015742.db2.gz SOSJSQXPSSZICL-NQERJWCQSA-N 1 0 409.357 3.767 50 0 HHAARO C[NH+](C)C1(CNC(=O)Cc2csc(NC(=O)c3ccccc3)n2)CCCCCC1 ZINC000012912086 569021797 /nfs/dbraw/zinc/02/17/97/569021797.db2.gz ROJRZCBMPRZZJB-UHFFFAOYSA-N 1 0 414.575 3.709 50 0 HHAARO C[NH+]1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000575443677 569028567 /nfs/dbraw/zinc/02/85/67/569028567.db2.gz YBDXAJUBNWWRNY-OAQYLSRUSA-N 1 0 402.498 3.544 50 0 HHAARO Cc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000035372473 569033906 /nfs/dbraw/zinc/03/39/06/569033906.db2.gz NHVMNUZERZHEQC-UHFFFAOYSA-N 1 0 406.555 3.990 50 0 HHAARO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454067 569037872 /nfs/dbraw/zinc/03/78/72/569037872.db2.gz FMYKLAAJFBPSHC-MOPGFXCFSA-N 1 0 424.589 3.647 50 0 HHAARO O=C(CSc1nc2ccccc2s1)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090609000 569042358 /nfs/dbraw/zinc/04/23/58/569042358.db2.gz WCOVWTRWBJSIDX-HNNXBMFYSA-N 1 0 407.630 3.818 50 0 HHAARO C[N@H+](CCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000035528949 569044104 /nfs/dbraw/zinc/04/41/04/569044104.db2.gz HMKLETUSEVIECB-UHFFFAOYSA-N 1 0 400.567 3.701 50 0 HHAARO COC(=O)c1ccccc1C(=O)N(CC[NH+](C)C)c1nc2cc(C)cc(C)c2s1 ZINC000035586509 569046120 /nfs/dbraw/zinc/04/61/20/569046120.db2.gz JBMCZIFNSLMNNH-UHFFFAOYSA-N 1 0 411.527 3.908 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1nc(N2CCCCC2)ncc1Cl)c1ccc(Cl)cc1 ZINC000072309357 569048584 /nfs/dbraw/zinc/04/85/84/569048584.db2.gz ANGBDOWRRIVCJG-KRWDZBQOSA-N 1 0 422.360 3.806 50 0 HHAARO NC(=O)c1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000013006439 569049964 /nfs/dbraw/zinc/04/99/64/569049964.db2.gz NMJIEFZBVQDSPQ-UHFFFAOYSA-N 1 0 412.946 3.885 50 0 HHAARO CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000241684876 569054865 /nfs/dbraw/zinc/05/48/65/569054865.db2.gz QFXCTELSOMCKJL-WIYYLYMNSA-N 1 0 401.551 3.546 50 0 HHAARO C[NH+]1CCN(CCCNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000089382694 569058854 /nfs/dbraw/zinc/05/88/54/569058854.db2.gz XHYQIYCALZRXHM-UHFFFAOYSA-N 1 0 420.479 3.816 50 0 HHAARO COc1c[nH]c(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)cc1=O ZINC000426414408 569072870 /nfs/dbraw/zinc/07/28/70/569072870.db2.gz OIYMVVWZWKKFQO-RUZDIDTESA-N 1 0 409.574 3.995 50 0 HHAARO CCn1cc(C[NH+]2CCC(C(=O)NC[C@H]3CCCO3)CC2)c2cc(Cl)ccc21 ZINC000064669726 569078921 /nfs/dbraw/zinc/07/89/21/569078921.db2.gz IWBOLJYGECJZPZ-LJQANCHMSA-N 1 0 403.954 3.822 50 0 HHAARO Cc1c(C)c(=O)oc2cc(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659879 569084089 /nfs/dbraw/zinc/08/40/89/569084089.db2.gz YRHYFDOBAFFVCI-OAHLLOKOSA-N 1 0 400.519 3.603 50 0 HHAARO Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000006660168 569084192 /nfs/dbraw/zinc/08/41/92/569084192.db2.gz CFZSQEVKGQDUCF-GOSISDBHSA-N 1 0 420.509 3.650 50 0 biogenic HHAARO CC(C)CC(=O)Nc1ccc(N(C)C)c(CN(CC[NH+](C)C)C(=O)C(C)(C)C)c1 ZINC000006707939 569095396 /nfs/dbraw/zinc/09/53/96/569095396.db2.gz JAOIYYFXRXBSQS-UHFFFAOYSA-N 1 0 404.599 3.674 50 0 HHAARO COc1cccc(NC(=O)[C@H]2Cc3ccccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)c1 ZINC000169678535 569125971 /nfs/dbraw/zinc/12/59/71/569125971.db2.gz BNOFXMNAWAIVGP-UPVQGACJSA-N 1 0 405.542 3.939 50 0 HHAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](C)O ZINC000036306716 569129339 /nfs/dbraw/zinc/12/93/39/569129339.db2.gz ANHJMLQGYMZRFP-QGZVFWFLSA-N 1 0 413.493 3.848 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344617 569142665 /nfs/dbraw/zinc/14/26/65/569142665.db2.gz AJHOMZQKLJJABD-RUZDIDTESA-N 1 0 418.585 3.927 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036345549 569143209 /nfs/dbraw/zinc/14/32/09/569143209.db2.gz AUPOUUMWNCOZCA-DEOSSOPVSA-N 1 0 404.558 3.619 50 0 HHAARO COc1ccc(-c2nc(-c3ccc(C(=O)NCCC[NH+]4CCCC4)s3)no2)cc1 ZINC000065062895 569166597 /nfs/dbraw/zinc/16/65/97/569166597.db2.gz GJYUKHQUDPOGRU-UHFFFAOYSA-N 1 0 412.515 3.689 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(C[S@@](=O)c2ccc(Cl)cc2)o1 ZINC000006895571 569175331 /nfs/dbraw/zinc/17/53/31/569175331.db2.gz JFTPHYHNBWMXPM-MHZLTWQESA-N 1 0 408.951 3.847 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000065136772 569183516 /nfs/dbraw/zinc/18/35/16/569183516.db2.gz INFIXQIOBXSUDV-OALUTQOASA-N 1 0 418.557 3.840 50 0 HHAARO O=C(NCCc1ccsc1)c1cnn(-c2ccc(F)cc2F)c1C1CC[NH2+]CC1 ZINC000007000412 569197226 /nfs/dbraw/zinc/19/72/26/569197226.db2.gz OWELVDKAPHBIAH-UHFFFAOYSA-N 1 0 416.497 3.652 50 0 HHAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC[NH+](CC(C)C)CC(C)C)c2)on1 ZINC000007005364 569198596 /nfs/dbraw/zinc/19/85/96/569198596.db2.gz WRGPJSBSPGBQTC-UHFFFAOYSA-N 1 0 407.580 3.851 50 0 HHAARO COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCCC[NH+](C)C)o2)cc1 ZINC000007002947 569198946 /nfs/dbraw/zinc/19/89/46/569198946.db2.gz XULZJBLVDQLJBH-UHFFFAOYSA-N 1 0 415.515 3.547 50 0 HHAARO O=C(NCc1ccccc1Cl)c1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)nc1 ZINC000065256164 569208158 /nfs/dbraw/zinc/20/81/58/569208158.db2.gz YSOREACJZDCMEQ-NRFANRHFSA-N 1 0 406.917 3.816 50 0 HHAARO C[NH+](C)CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c21 ZINC000036618497 569210106 /nfs/dbraw/zinc/21/01/06/569210106.db2.gz OMEOSRKJECRSSR-UHFFFAOYSA-N 1 0 404.445 3.987 50 0 HHAARO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000238899694 569227624 /nfs/dbraw/zinc/22/76/24/569227624.db2.gz HBIHILGQENLYSC-LWYYNNOASA-N 1 0 407.599 3.698 50 0 biogenic HHAARO O=c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)nc2ccc(Br)cn12 ZINC000007191859 569228220 /nfs/dbraw/zinc/22/82/20/569228220.db2.gz HXDDWZFPCSJSIB-UHFFFAOYSA-N 1 0 412.331 3.912 50 0 HHAARO O=C(C[N@H+](Cc1ccccc1)[C@H](CO)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000089832508 569266734 /nfs/dbraw/zinc/26/67/34/569266734.db2.gz UJYRVWICDPVUSW-OAQYLSRUSA-N 1 0 422.525 3.940 50 0 HHAARO C[NH+](C)CCNc1nc2nn(Cc3ccccc3)c(N)c2c(-c2cccc(Cl)c2)n1 ZINC000037359100 569277616 /nfs/dbraw/zinc/27/76/16/569277616.db2.gz XYIRMQSBRMEQNT-UHFFFAOYSA-N 1 0 421.936 3.751 50 0 HHAARO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCN3C(C)=O)o2)cc1 ZINC000252477545 569288593 /nfs/dbraw/zinc/28/85/93/569288593.db2.gz QLZSJWNOJVEJFI-NHCUHLMSSA-N 1 0 412.534 3.891 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc12 ZINC000237929496 569291509 /nfs/dbraw/zinc/29/15/09/569291509.db2.gz GBYPSHXGKGLZJI-FQEVSTJZSA-N 1 0 402.951 3.965 50 0 HHAARO Cc1noc(C)c1CSc1ncccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000195529209 569311991 /nfs/dbraw/zinc/31/19/91/569311991.db2.gz GVFJKWVZCYIVRE-CABCVRRESA-N 1 0 402.564 3.829 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000054815329 569323737 /nfs/dbraw/zinc/32/37/37/569323737.db2.gz BNIOEDWIRKWBGI-QGZVFWFLSA-N 1 0 410.356 3.692 50 0 HHAARO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000253371036 569364753 /nfs/dbraw/zinc/36/47/53/569364753.db2.gz ZUKZVSRIWTYJHA-QZTJIDSGSA-N 1 0 406.505 3.760 50 0 HHAARO O=C(Nc1ccccc1CN1CCOCC1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000253424595 569368117 /nfs/dbraw/zinc/36/81/17/569368117.db2.gz IJDBQGQUAFJSOL-UHFFFAOYSA-N 1 0 414.594 3.781 50 0 HHAARO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2 ZINC000012660831 569402613 /nfs/dbraw/zinc/40/26/13/569402613.db2.gz BVCMOJHQNDYZII-HZPDHXFCSA-N 1 0 420.303 3.839 50 0 biogenic HHAARO Cc1csc(=O)n1CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000078879454 569421483 /nfs/dbraw/zinc/42/14/83/569421483.db2.gz JCJFGRQKMDGAEH-UHFFFAOYSA-N 1 0 413.587 3.656 50 0 HHAARO O=C(Nc1cccc(C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1)c1ccco1 ZINC000079049413 569425441 /nfs/dbraw/zinc/42/54/41/569425441.db2.gz ZIMKYJLPEDOPPU-SFTDATJTSA-N 1 0 415.493 3.736 50 0 HHAARO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000079056912 569425958 /nfs/dbraw/zinc/42/59/58/569425958.db2.gz BYWPLPHXOXCSMF-QGZVFWFLSA-N 1 0 414.974 3.860 50 0 HHAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012756641 571044754 /nfs/dbraw/zinc/04/47/54/571044754.db2.gz FLYBUXHZCCFCHJ-UHFFFAOYSA-N 1 0 416.387 3.629 50 0 HHAARO COc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000008549485 571077903 /nfs/dbraw/zinc/07/79/03/571077903.db2.gz SOKWOKBIQRIPEU-NRFANRHFSA-N 1 0 406.482 3.525 50 0 HHAARO Cc1c(C(=O)NCC[NH+](C)C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2 ZINC000008588554 571084503 /nfs/dbraw/zinc/08/45/03/571084503.db2.gz YGUSOHVCZLXHLF-UHFFFAOYSA-N 1 0 412.921 3.543 50 0 HHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000008864270 571128861 /nfs/dbraw/zinc/12/88/61/571128861.db2.gz QKVXCRASHYZCSE-INIZCTEOSA-N 1 0 411.449 3.659 50 0 HHAARO Cc1cccc(C(=O)N[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C(C)C)c1 ZINC000039995713 571137280 /nfs/dbraw/zinc/13/72/80/571137280.db2.gz OKJMABCYYFREQV-HSZRJFAPSA-N 1 0 407.558 3.662 50 0 HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000040103437 571164223 /nfs/dbraw/zinc/16/42/23/571164223.db2.gz KDMNUBIDHYADEX-IBGZPJMESA-N 1 0 418.925 3.728 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000040103814 571164413 /nfs/dbraw/zinc/16/44/13/571164413.db2.gz VJVKRGDJONENRT-UHFFFAOYSA-N 1 0 416.953 3.943 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N(C)CCOc3ccccc3F)c(C)c2)CC1 ZINC000040103846 571164420 /nfs/dbraw/zinc/16/44/20/571164420.db2.gz BWAWCBSBMFHMMY-UHFFFAOYSA-N 1 0 414.525 3.819 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000040104529 571165555 /nfs/dbraw/zinc/16/55/55/571165555.db2.gz AOMPILWHFJMINC-QFIPXVFZSA-N 1 0 410.562 3.928 50 0 HHAARO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040121110 571176906 /nfs/dbraw/zinc/17/69/06/571176906.db2.gz LPOHMXWYBBIAEA-KRWDZBQOSA-N 1 0 419.447 3.754 50 0 HHAARO C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000040120914 571176975 /nfs/dbraw/zinc/17/69/75/571176975.db2.gz IMLOQOJXHNRPMY-AWEZNQCLSA-N 1 0 414.377 3.883 50 0 HHAARO COc1ccccc1[C@@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CC[NH+](C)C ZINC000009328251 571248272 /nfs/dbraw/zinc/24/82/72/571248272.db2.gz VNJIOLZNRNJTEM-OAQYLSRUSA-N 1 0 406.482 3.525 50 0 HHAARO COc1ccc(C[N@H+](CC(=O)NCC(F)(F)F)[C@@H](C)Cc2cccs2)cc1 ZINC000009863676 571288803 /nfs/dbraw/zinc/28/88/03/571288803.db2.gz WXGZGGKCKUQDHZ-AWEZNQCLSA-N 1 0 400.466 3.868 50 0 HHAARO COc1ccc2c(CC(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCC3)coc2c1 ZINC000009884406 571289372 /nfs/dbraw/zinc/28/93/72/571289372.db2.gz PCGXRHHTEAZMFX-NRFANRHFSA-N 1 0 408.498 3.946 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716732 571316401 /nfs/dbraw/zinc/31/64/01/571316401.db2.gz OOEVUBROORSHKM-WOJBJXKFSA-N 1 0 414.521 3.893 50 0 HHAARO COCCNC(=O)c1cc2oc(C[NH+]3CCC(C)CC3)cc2n1Cc1ccccc1 ZINC000034920069 571316662 /nfs/dbraw/zinc/31/66/62/571316662.db2.gz LRISGNKKWIKILU-UHFFFAOYSA-N 1 0 409.530 3.891 50 0 HHAARO CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC000008037636 961409021 /nfs/dbraw/zinc/40/90/21/961409021.db2.gz NDRNRAULXRKZPZ-ZHACJKMWSA-N 1 0 401.514 3.500 50 0 HHAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000011668169 962158362 /nfs/dbraw/zinc/15/83/62/962158362.db2.gz YBUOTDQLQMGJLA-NRFANRHFSA-N 1 0 420.582 3.908 50 0 HHAARO Cc1c(C[NH+]2CCC3(C[C@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cnn1C ZINC000011782746 962188547 /nfs/dbraw/zinc/18/85/47/962188547.db2.gz WCPDWJYMPRBBQM-IBGZPJMESA-N 1 0 420.479 3.666 50 0 HHAARO O=C1CC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000011790594 962190547 /nfs/dbraw/zinc/19/05/47/962190547.db2.gz OIJLGTLONXJEGA-NRFANRHFSA-N 1 0 417.475 3.807 50 0 HHAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)[nH]n1 ZINC000011934797 962209493 /nfs/dbraw/zinc/20/94/93/962209493.db2.gz SQQAOBPPPWUNQG-SFHVURJKSA-N 1 0 406.534 3.645 50 0 HHAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)c1ccc(-c3ccco3)cc1)CCO2 ZINC000011965226 962215928 /nfs/dbraw/zinc/21/59/28/962215928.db2.gz POQWDJSAURJJGJ-RUZDIDTESA-N 1 0 420.509 3.751 50 0 HHAARO C[C@@H](CNC(=O)/C=C/c1cccc(F)c1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012053582 962229760 /nfs/dbraw/zinc/22/97/60/962229760.db2.gz XNOXUVFOBVXYBB-BLGFXRMMSA-N 1 0 414.546 3.971 50 0 HHAARO CN(C)c1ccccc1C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000012098836 962238181 /nfs/dbraw/zinc/23/81/81/962238181.db2.gz AACTVMYHBYNCEK-NRFANRHFSA-N 1 0 407.558 3.696 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@@H]2CCCO2)CC1 ZINC000012307947 962268434 /nfs/dbraw/zinc/26/84/34/962268434.db2.gz RYYAINPRCBNBDB-DEOSSOPVSA-N 1 0 407.558 3.810 50 0 HHAARO Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000012571016 962293863 /nfs/dbraw/zinc/29/38/63/962293863.db2.gz KMQIXSGUZLOZHE-SFHVURJKSA-N 1 0 406.505 3.868 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C ZINC000014534730 962524683 /nfs/dbraw/zinc/52/46/83/962524683.db2.gz NEOSMEJXGNHRDD-SFHVURJKSA-N 1 0 401.551 3.749 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)CC2 ZINC000014536775 962524988 /nfs/dbraw/zinc/52/49/88/962524988.db2.gz OQOCPGKUEJIHPJ-SFHVURJKSA-N 1 0 424.495 3.559 50 0 HHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccc(Cl)cc1)CC2 ZINC000014731893 962563319 /nfs/dbraw/zinc/56/33/19/962563319.db2.gz VKGGOKFMCBTILV-QGZVFWFLSA-N 1 0 412.921 3.586 50 0 HHAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1c[nH]c3ccccc13)C2 ZINC000014733283 962563548 /nfs/dbraw/zinc/56/35/48/962563548.db2.gz SLNZXNLQOASODI-IBGZPJMESA-N 1 0 419.573 3.607 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014754792 962569849 /nfs/dbraw/zinc/56/98/49/962569849.db2.gz DRMNGJMLPYOREK-IBGZPJMESA-N 1 0 410.562 3.575 50 0 HHAARO O=c1c2c(ncn1Cc1cnc3ccccc3c1)sc1c2CC[C@H]([NH2+]CC2CC2)C1 ZINC000014887697 962598780 /nfs/dbraw/zinc/59/87/80/962598780.db2.gz DDVBRLIOBYCHRG-SFHVURJKSA-N 1 0 416.550 3.911 50 0 HHAARO C[C@H](C1CCN(C(=O)CN2Cc3cc(Cl)ccc3O[C@@H](C)C2)CC1)[NH+]1CCCC1 ZINC000014967641 962615339 /nfs/dbraw/zinc/61/53/39/962615339.db2.gz PAVVRHKDIDMNTM-ZWKOTPCHSA-N 1 0 419.997 3.646 50 0 HHAARO O=C(Cc1ccccc1F)Nc1ccc2c(c1)CN(C(=O)C[NH+]1CCCCCC1)CC2 ZINC000014981105 962617177 /nfs/dbraw/zinc/61/71/77/962617177.db2.gz JLQMAOVMTYVMDJ-UHFFFAOYSA-N 1 0 423.532 3.768 50 0 HHAARO Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC000019143629 963350042 /nfs/dbraw/zinc/35/00/42/963350042.db2.gz RHWWWMSXHHTVFK-UHFFFAOYSA-N 1 0 418.541 3.590 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3cc(CC(C)C)n[nH]3)C2)cc1OC ZINC000019740222 963373816 /nfs/dbraw/zinc/37/38/16/963373816.db2.gz ZDTKZPXDPNNJKK-QFIPXVFZSA-N 1 0 414.594 3.764 50 0 HHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1C/C=C/c1ccccc1 ZINC000020775914 963395083 /nfs/dbraw/zinc/39/50/83/963395083.db2.gz GWRHORYMWRFTSB-VPAMFCPISA-N 1 0 417.475 3.697 50 0 HHAARO O=C1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccn1 ZINC000020861621 963398743 /nfs/dbraw/zinc/39/87/43/963398743.db2.gz VZHYXEDVDOJLIF-UHFFFAOYSA-N 1 0 401.510 3.895 50 0 HHAARO C[N@H+](CCc1ccccn1)[C@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020920391 963404463 /nfs/dbraw/zinc/40/44/63/963404463.db2.gz ZNLHYYKKIBYAJA-SFHVURJKSA-N 1 0 408.571 4.000 50 0 HHAARO OCC[C@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@@H+]1CCCc1ccccc1 ZINC000020998362 963410953 /nfs/dbraw/zinc/41/09/53/963410953.db2.gz XPRKJELSUPIVKB-QHCPKHFHSA-N 1 0 407.533 3.875 50 0 HHAARO Cc1c(C[N@@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C ZINC000023366593 963809011 /nfs/dbraw/zinc/80/90/11/963809011.db2.gz WBKHUELPAQTKBF-NRFANRHFSA-N 1 0 421.511 3.534 50 0 HHAARO Cc1c2cc(C)cc(CNC(=O)C[C@@H]3CN(C)CC[N@@H+]3C)c2[nH]c1-c1ccccc1 ZINC000039412891 966492144 /nfs/dbraw/zinc/49/21/44/966492144.db2.gz CBPVSJYQNQCXGJ-OAQYLSRUSA-N 1 0 404.558 3.704 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C\c2ccc3ccccc3n2)cc1 ZINC000097673972 969179968 /nfs/dbraw/zinc/17/99/68/969179968.db2.gz MLQKIKLQKWYCOW-NXVVXOECSA-N 1 0 416.525 3.958 50 0 HHAARO O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000098003247 969184604 /nfs/dbraw/zinc/18/46/04/969184604.db2.gz XFXVSRIMEZAMTE-QPMFXJJASA-N 1 0 403.526 3.780 50 0 HHAARO O=C([C@H]1CC[C@H](O)CC1)N1CCC([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000244882601 970468820 /nfs/dbraw/zinc/46/88/20/970468820.db2.gz XUVYDNDYBJRWPV-KCZVDYSFSA-N 1 0 404.982 3.952 50 0 HHAARO O=S(=O)(c1c[nH]cn1)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)CC1 ZINC000169791401 970483056 /nfs/dbraw/zinc/48/30/56/970483056.db2.gz DTZBZXKXBOWDGR-NRFANRHFSA-N 1 0 414.575 3.570 50 0 HHAARO CS[C@@H]1CN(C(=O)/C=C\c2csc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000254821952 970580304 /nfs/dbraw/zinc/58/03/04/970580304.db2.gz SIDZCRPAPUBGQE-UUSXEQNQSA-N 1 0 401.395 3.562 50 0 HHAARO O=C(NC[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC12CCOCC2)N1CCCC1 ZINC000257176134 970616976 /nfs/dbraw/zinc/61/69/76/970616976.db2.gz RWRWXZHVDDUFCW-KRWDZBQOSA-N 1 0 409.933 3.513 50 0 HHAARO CCc1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2CN2CCc3ccccc3C2)cc1 ZINC000257190290 970623488 /nfs/dbraw/zinc/62/34/88/970623488.db2.gz MCZAQCSSYKICPW-FQEVSTJZSA-N 1 0 420.525 3.706 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)CN1C1Cc2ccccc2C1 ZINC000299799592 970723311 /nfs/dbraw/zinc/72/33/11/970723311.db2.gz UAQCKUJWXZFXLI-BVAGGSTKSA-N 1 0 413.565 3.676 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1ccc(Cl)cc1 ZINC000299784686 970723802 /nfs/dbraw/zinc/72/38/02/970723802.db2.gz KJLORCUMVPPBHR-FPOVZHCZSA-N 1 0 418.006 3.931 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000004711688 132285341 /nfs/dbraw/zinc/28/53/41/132285341.db2.gz UYMHVLPCDVTYQH-UHFFFAOYSA-N 1 0 407.470 3.614 50 0 HHAARO CCCC[N@H+](CC)CC(=O)N1CCCc2c3cc(OCCC)ccc3oc(=O)c21 ZINC000004917913 132294203 /nfs/dbraw/zinc/29/42/03/132294203.db2.gz ZATONTJSLCKIGG-UHFFFAOYSA-N 1 0 400.519 3.983 50 0 HHAARO Cc1cccc(OCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)c1 ZINC000006725168 132313905 /nfs/dbraw/zinc/31/39/05/132313905.db2.gz VDQQIYWSLXXCCS-UHFFFAOYSA-N 1 0 404.514 3.621 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000010080465 132345021 /nfs/dbraw/zinc/34/50/21/132345021.db2.gz BGOJSBZLCGWBAF-XMMPIXPASA-N 1 0 422.573 3.804 50 0 HHAARO O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697970 132350018 /nfs/dbraw/zinc/35/00/18/132350018.db2.gz UNAYEGCNTCDLPF-UHFFFAOYSA-N 1 0 409.881 3.623 50 0 HHAARO O=C(CC1CCCC1)Nc1cccc(N2CCC([N@@H+]3CCc4n[nH]cc4C3)CC2)c1 ZINC000011911931 132352182 /nfs/dbraw/zinc/35/21/82/132352182.db2.gz DQSCWPLVSVZVND-UHFFFAOYSA-N 1 0 407.562 3.956 50 0 HHAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]CCc3cccs3)CC2)cc1 ZINC000012213397 132356844 /nfs/dbraw/zinc/35/68/44/132356844.db2.gz PKJWWLWPWQEXNF-UHFFFAOYSA-N 1 0 420.582 3.874 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCC(=O)N(Cc3ccc(F)cc3F)CC2)CC1 ZINC000012217487 132356880 /nfs/dbraw/zinc/35/68/80/132356880.db2.gz MEGFKJRYQDCSBB-OAQYLSRUSA-N 1 0 413.512 3.977 50 0 HHAARO Cc1cc(OCCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1Cl ZINC000012613232 132365313 /nfs/dbraw/zinc/36/53/13/132365313.db2.gz NVKOEGACTYPOOX-UHFFFAOYSA-N 1 0 402.926 3.593 50 0 HHAARO Cc1ccc(-c2csc3ncnc(N4CCN(CC[NH+]5CCCC5)CC4)c23)cc1 ZINC000022781192 132475983 /nfs/dbraw/zinc/47/59/83/132475983.db2.gz PBUOPLQQLJEUCI-UHFFFAOYSA-N 1 0 407.587 3.885 50 0 HHAARO CC(=O)N[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000032930724 519695954 /nfs/dbraw/zinc/69/59/54/519695954.db2.gz BXRYPLBFKUNBSK-NTKDMRAZSA-N 1 0 407.558 3.802 50 0 HHAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)CC1 ZINC000032951858 521000886 /nfs/dbraw/zinc/00/08/86/521000886.db2.gz HVPNBLISVXGZRU-UHFFFAOYSA-N 1 0 421.426 3.643 50 0 HHAARO CCOc1ccc(OCC)c(NC(=O)C2=C(C)C(=O)OC23CC[NH+](C(C)C)CC3)c1 ZINC000020581729 521167632 /nfs/dbraw/zinc/16/76/32/521167632.db2.gz KBRJWAYCRYMFNQ-UHFFFAOYSA-N 1 0 416.518 3.539 50 0 biogenic HHAARO CCOc1ccc(Oc2ccc(S(=O)(=O)N(C)C3CC[NH+](CC)CC3)cc2)cc1 ZINC000032804298 521182644 /nfs/dbraw/zinc/18/26/44/521182644.db2.gz DBWJRQLVTJWHPD-UHFFFAOYSA-N 1 0 418.559 3.982 50 0 HHAARO C[N@H+](CC(=O)Nc1cccc(I)c1)[C@@H]1CCc2ccccc21 ZINC000029483703 522512650 /nfs/dbraw/zinc/51/26/50/522512650.db2.gz RYADEAPQVOSKCF-QGZVFWFLSA-N 1 0 406.267 3.849 50 0 HHAARO C[NH+]1CCC(NC(=O)c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)CC1 ZINC000040355828 523776365 /nfs/dbraw/zinc/77/63/65/523776365.db2.gz DVUWJVFDSFGRIK-UHFFFAOYSA-N 1 0 413.330 3.526 50 0 HHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CC2)cc1 ZINC000032893642 524026238 /nfs/dbraw/zinc/02/62/38/524026238.db2.gz YQNDHUFRRHODAS-UHFFFAOYSA-N 1 0 404.514 3.603 50 0 HHAARO CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000032733572 524048386 /nfs/dbraw/zinc/04/83/86/524048386.db2.gz TVRSHFRBXLIFSX-FQEVSTJZSA-N 1 0 403.567 3.615 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cc2)C1 ZINC000032930079 524095426 /nfs/dbraw/zinc/09/54/26/524095426.db2.gz LPFMLRPVTKIAFD-SFHVURJKSA-N 1 0 419.529 3.613 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)c1ccc2nc(C)c(C)nc2c1)[NH+]1CCCC1 ZINC000032841471 524793046 /nfs/dbraw/zinc/79/30/46/524793046.db2.gz UQAIPUVSSKDNJY-QFIPXVFZSA-N 1 0 404.514 3.822 50 0 HHAARO Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000020599076 525224825 /nfs/dbraw/zinc/22/48/25/525224825.db2.gz DRDDOIXICGKSIT-VWLOTQADSA-N 1 0 415.585 3.967 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2sc3ncc(C(C)=O)cc3c2C)[NH+](C)C)cc1 ZINC000032680851 525359593 /nfs/dbraw/zinc/35/95/93/525359593.db2.gz SVDKYMPLNLZIAR-IBGZPJMESA-N 1 0 411.527 3.849 50 0 HHAARO CSc1ccccc1C[NH+]1CCC(CNS(=O)(=O)Cc2cccc(F)c2)CC1 ZINC000043959528 526158829 /nfs/dbraw/zinc/15/88/29/526158829.db2.gz UDZHVFWZUOWJBL-UHFFFAOYSA-N 1 0 422.591 3.879 50 0 HHAARO Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c12 ZINC000032895289 526677581 /nfs/dbraw/zinc/67/75/81/526677581.db2.gz LTPBRFHFMIKMFQ-KRWDZBQOSA-N 1 0 402.454 3.796 50 0 HHAARO O=S(=O)(c1ccc(Br)s1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032951925 527270324 /nfs/dbraw/zinc/27/03/24/527270324.db2.gz QYFXJAQYYZBUHR-UHFFFAOYSA-N 1 0 421.426 3.787 50 0 HHAARO O=c1oc2ccccc2n1CCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000032778048 527499374 /nfs/dbraw/zinc/49/93/74/527499374.db2.gz REAAOBZKWXXEES-UHFFFAOYSA-N 1 0 419.447 3.821 50 0 HHAARO CC1CC[NH+](CCCNC(=O)[C@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)CC1 ZINC000035422827 535279299 /nfs/dbraw/zinc/27/92/99/535279299.db2.gz GHYUVIFPYHOQKJ-QFIPXVFZSA-N 1 0 421.589 3.598 50 0 HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc3c(C)nn(C)c3s2)CC1 ZINC000010290738 535746617 /nfs/dbraw/zinc/74/66/17/535746617.db2.gz YKWVSQHAEQLYEF-UHFFFAOYSA-N 1 0 417.966 3.991 50 0 HHAARO COc1ccc(C(=O)NCCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004364549 536739488 /nfs/dbraw/zinc/73/94/88/536739488.db2.gz XTKPMRWHMDLGGQ-UHFFFAOYSA-N 1 0 401.938 3.681 50 0 HHAARO O=C(C1CC1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000034698398 557381024 /nfs/dbraw/zinc/38/10/24/557381024.db2.gz CGNJPKMWWWMXMP-XUZZJYLKSA-N 1 0 407.533 3.600 50 0 HHAARO Cc1cccc(N2CC[NH+](Cc3ccc(C(=O)NCc4cccnc4)cc3)CC2)c1C ZINC000034684870 557387940 /nfs/dbraw/zinc/38/79/40/557387940.db2.gz DTNRVSNRYQBUIH-UHFFFAOYSA-N 1 0 414.553 3.951 50 0 HHAARO COc1ccc(CCN(C)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000004177188 557525184 /nfs/dbraw/zinc/52/51/84/557525184.db2.gz KRUXPENPUGDVMQ-FQEVSTJZSA-N 1 0 414.521 3.756 50 0 HHAARO CC1(C)CC(NC(=O)COc2ccc(Cl)cc2Br)CC(C)(C)[NH2+]1 ZINC000004442282 557555521 /nfs/dbraw/zinc/55/55/21/557555521.db2.gz ITNKHEHVXCANBU-UHFFFAOYSA-N 1 0 403.748 3.907 50 0 HHAARO CC1(C)CC(NC(=O)COc2ccc(Br)cc2Cl)CC(C)(C)[NH2+]1 ZINC000004755091 557593313 /nfs/dbraw/zinc/59/33/13/557593313.db2.gz UNEBIHOEVVPBGT-UHFFFAOYSA-N 1 0 403.748 3.907 50 0 HHAARO COc1cc(C[NH2+]CCCN2CCOCC2)c(Cl)cc1OCc1ccccc1 ZINC000004820455 557602475 /nfs/dbraw/zinc/60/24/75/557602475.db2.gz YOOIJJALNYDXQG-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH+](CC)CC ZINC000005048021 557629663 /nfs/dbraw/zinc/62/96/63/557629663.db2.gz VSMNDAQVHUFTBK-UHFFFAOYSA-N 1 0 420.531 3.889 50 0 HHAARO CCOc1c(Cl)cc(C[NH2+]CCSc2nnnn2-c2ccccc2)cc1OC ZINC000006767724 557720525 /nfs/dbraw/zinc/72/05/25/557720525.db2.gz FFAJMZJEFNCYOY-UHFFFAOYSA-N 1 0 419.938 3.605 50 0 HHAARO C[NH+]1CCN([C@H](CNC(=O)c2cc(Cl)ccc2Cl)c2ccc(F)cc2)CC1 ZINC000022794795 557822302 /nfs/dbraw/zinc/82/23/02/557822302.db2.gz HTYRANFZFSFGNP-LJQANCHMSA-N 1 0 410.320 3.851 50 0 HHAARO COCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)o1 ZINC000011816815 558280058 /nfs/dbraw/zinc/28/00/58/558280058.db2.gz RFGKIWZZLKJMGW-GOSISDBHSA-N 1 0 400.519 3.743 50 0 HHAARO Clc1cccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc5c4OCO5)C3)CC2)c1 ZINC000019789879 558282319 /nfs/dbraw/zinc/28/23/19/558282319.db2.gz YQTGHPBCPGRIDD-OAQYLSRUSA-N 1 0 413.949 3.855 50 0 HHAARO COc1ccc2cc(C[N@H+](C)CCn3cccn3)c(=O)n(Cc3ccccc3F)c2c1 ZINC000011839422 558285961 /nfs/dbraw/zinc/28/59/61/558285961.db2.gz CHPOAZKCQASCTB-UHFFFAOYSA-N 1 0 420.488 3.526 50 0 HHAARO CCOc1cc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccccc4)O3)CC2)ccc1O ZINC000011839556 558286212 /nfs/dbraw/zinc/28/62/12/558286212.db2.gz FGVRGRQLQIVSIV-NRFANRHFSA-N 1 0 424.541 3.735 50 0 HHAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000011874104 558291691 /nfs/dbraw/zinc/29/16/91/558291691.db2.gz KDKXTZWGVDGZEI-FQEVSTJZSA-N 1 0 409.555 3.566 50 0 HHAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1 ZINC000011874515 558292309 /nfs/dbraw/zinc/29/23/09/558292309.db2.gz FYSREIDJKNPDEC-KRWDZBQOSA-N 1 0 424.467 3.555 50 0 HHAARO Cc1cccc(Cc2nnc(CCC(=O)N(C)CC3CC[NH+](CC(C)C)CC3)o2)c1 ZINC000011879961 558294454 /nfs/dbraw/zinc/29/44/54/558294454.db2.gz CKTPHJJYFLESMU-UHFFFAOYSA-N 1 0 412.578 3.728 50 0 HHAARO Cc1cccn2c(C[NH2+][C@H](C)CCCC(C)(C)O)c(C(=O)N3CCCCC3)nc12 ZINC000011935448 558299408 /nfs/dbraw/zinc/29/94/08/558299408.db2.gz RFTPNPCVSYSUBX-GOSISDBHSA-N 1 0 400.567 3.688 50 0 HHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c(OC)c1 ZINC000011938461 558301787 /nfs/dbraw/zinc/30/17/87/558301787.db2.gz BPDUEVDUVPMVPE-LJQANCHMSA-N 1 0 411.546 3.716 50 0 HHAARO Cc1nn(C)cc1C[NH+]1CCC2(C[C@H]2C(=O)NCC2(c3ccccc3)CCCC2)CC1 ZINC000011982411 558306173 /nfs/dbraw/zinc/30/61/73/558306173.db2.gz WEULZRMPVXCXHO-QHCPKHFHSA-N 1 0 420.601 3.959 50 0 HHAARO CN(C(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011999786 558308128 /nfs/dbraw/zinc/30/81/28/558308128.db2.gz OETAEOSXABOKHQ-QHCPKHFHSA-N 1 0 400.526 3.576 50 0 HHAARO CC(C)Cc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4ccnn4C)O3)CC2)cc1 ZINC000012041673 558313094 /nfs/dbraw/zinc/31/30/94/558313094.db2.gz ZEZMMYIKNQHIBA-QFIPXVFZSA-N 1 0 424.589 3.562 50 0 HHAARO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000012122441 558330720 /nfs/dbraw/zinc/33/07/20/558330720.db2.gz JAEPAIDBJQQWQZ-UHFFFAOYSA-N 1 0 416.504 3.651 50 0 HHAARO Cc1cc(C)n(-c2cccc(CN3CC[N@H+](CCc4ccccc4)[C@@H](CCO)C3)c2)n1 ZINC000020202480 558346070 /nfs/dbraw/zinc/34/60/70/558346070.db2.gz XYZFJEYWQBSSJM-SANMLTNESA-N 1 0 418.585 3.600 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000020211469 558347489 /nfs/dbraw/zinc/34/74/89/558347489.db2.gz AOYMBJJKCTVGFX-LJQANCHMSA-N 1 0 404.986 3.777 50 0 HHAARO CC[C@@H]1C[N@H+](CCC(=O)N[C@@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000012245667 558361404 /nfs/dbraw/zinc/36/14/04/558361404.db2.gz YEXCSVRASVCNKZ-WMLDXEAASA-N 1 0 403.548 3.701 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)c(OC)c3)oc2C)C1 ZINC000012298796 558368712 /nfs/dbraw/zinc/36/87/12/558368712.db2.gz SNJWHKLQKOVAAM-SFHVURJKSA-N 1 0 415.534 3.748 50 0 HHAARO CCOC[C@@H](O)C[NH2+]Cc1cn(-c2ccc(OC)cc2)nc1-c1ccccc1Cl ZINC000012298996 558368978 /nfs/dbraw/zinc/36/89/78/558368978.db2.gz SRQMMUGAEAQKBM-SFHVURJKSA-N 1 0 415.921 3.688 50 0 HHAARO COc1cc(C(=O)N2CCC[C@H](OC)C2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012298995 558369094 /nfs/dbraw/zinc/36/90/94/558369094.db2.gz ZMQZCACVERGILD-NRFANRHFSA-N 1 0 416.562 3.732 50 0 HHAARO COCCN(Cc1cccc2nonc21)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012299946 558369881 /nfs/dbraw/zinc/36/98/81/558369881.db2.gz SPEGKZXTZGURJW-LJQANCHMSA-N 1 0 420.557 3.551 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)c(OC)c1 ZINC000012302332 558372057 /nfs/dbraw/zinc/37/20/57/558372057.db2.gz MPUQEFAJZPPQHA-HXUWFJFHSA-N 1 0 408.502 3.670 50 0 HHAARO CCn1ccnc1CN(C)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012306028 558375056 /nfs/dbraw/zinc/37/50/56/558375056.db2.gz URQKIXHKDYHYHK-QFIPXVFZSA-N 1 0 414.594 3.539 50 0 HHAARO COc1ccccc1OCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000012386856 558395590 /nfs/dbraw/zinc/39/55/90/558395590.db2.gz XCJHJXYYRYMSOU-IBGZPJMESA-N 1 0 414.571 3.824 50 0 HHAARO CCc1[nH]nc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cc(OC)ccc2F)C3)c1C ZINC000012446573 558414393 /nfs/dbraw/zinc/41/43/93/558414393.db2.gz JSBIGKXKYQFIOR-QHCPKHFHSA-N 1 0 414.525 3.557 50 0 HHAARO O=C1CC[N@H+]([C@H]2CCc3ccccc3C2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000012455920 558417099 /nfs/dbraw/zinc/41/70/99/558417099.db2.gz DQLYCLRTDREEFZ-IBGZPJMESA-N 1 0 412.917 3.661 50 0 HHAARO CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cccn2-c2ccc(Cl)cn2)C1 ZINC000012475929 558422808 /nfs/dbraw/zinc/42/28/08/558422808.db2.gz XISGKDPRTZVVOW-OAQYLSRUSA-N 1 0 405.926 3.708 50 0 HHAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012479857 558423116 /nfs/dbraw/zinc/42/31/16/558423116.db2.gz WYLCQAPVSLVBTO-OAQYLSRUSA-N 1 0 403.611 3.720 50 0 HHAARO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1 ZINC000012586166 558434099 /nfs/dbraw/zinc/43/40/99/558434099.db2.gz JYPOOHGBVRPMHO-OAQYLSRUSA-N 1 0 410.558 3.659 50 0 HHAARO COC(=O)c1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)c1 ZINC000012587207 558434328 /nfs/dbraw/zinc/43/43/28/558434328.db2.gz KUGXBDSNVSOEHR-FQEVSTJZSA-N 1 0 408.542 3.808 50 0 HHAARO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 ZINC000012594510 558437245 /nfs/dbraw/zinc/43/72/45/558437245.db2.gz YUXXKZDJCVKSPZ-HNNXBMFYSA-N 1 0 418.419 3.884 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012597585 558438475 /nfs/dbraw/zinc/43/84/75/558438475.db2.gz OMSDSVRHAZNODD-UHFFFAOYSA-N 1 0 414.569 3.522 50 0 HHAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c1OC ZINC000012701730 558448040 /nfs/dbraw/zinc/44/80/40/558448040.db2.gz VUEKUBAVGIHJPC-SFHVURJKSA-N 1 0 419.525 3.894 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1C ZINC000021795165 558449414 /nfs/dbraw/zinc/44/94/14/558449414.db2.gz DHEFZIAEBVOODF-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO O=C(CCCc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012710656 558452188 /nfs/dbraw/zinc/45/21/88/558452188.db2.gz BZLGPLVQZAXIGX-UHFFFAOYSA-N 1 0 422.529 3.767 50 0 HHAARO COC(=O)CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000012713149 558453712 /nfs/dbraw/zinc/45/37/12/558453712.db2.gz AZVZRLKEIYAMKM-XMMPIXPASA-N 1 0 400.563 3.968 50 0 HHAARO CN(CCCC1CCCC1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012748357 558458651 /nfs/dbraw/zinc/45/86/51/558458651.db2.gz AIDCLBUYYQXFAX-NRFANRHFSA-N 1 0 403.611 3.528 50 0 HHAARO O=C(c1ccoc1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012752468 558459300 /nfs/dbraw/zinc/45/93/00/558459300.db2.gz MTGAXJGMRSJVEA-DEOSSOPVSA-N 1 0 408.542 3.780 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC ZINC000012759125 558460618 /nfs/dbraw/zinc/46/06/18/558460618.db2.gz MCTRUCPRTCZRJA-XMMPIXPASA-N 1 0 409.530 3.536 50 0 HHAARO O=C1NC2(CCCCCC2)C(=O)N1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022774204 558509104 /nfs/dbraw/zinc/50/91/04/558509104.db2.gz XKCAXJNCQRFOCJ-UHFFFAOYSA-N 1 0 420.557 3.560 50 0 HHAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)/C=C/c1cc(F)ccc1F ZINC000023338006 558550010 /nfs/dbraw/zinc/55/00/10/558550010.db2.gz MCLVXYYYZPJHHB-QPJJXVBHSA-N 1 0 405.533 3.633 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2nc3ccccc3n2C)C1 ZINC000023340371 558550558 /nfs/dbraw/zinc/55/05/58/558550558.db2.gz GTJYSNXNGBMYCU-HXUWFJFHSA-N 1 0 406.574 3.968 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000023366645 558552975 /nfs/dbraw/zinc/55/29/75/558552975.db2.gz ZHYYLGPZVGUWDR-NRFANRHFSA-N 1 0 419.573 3.662 50 0 HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023718919 558570319 /nfs/dbraw/zinc/57/03/19/558570319.db2.gz FRWHTMJXZZEQFH-FQEVSTJZSA-N 1 0 416.953 3.597 50 0 HHAARO O=C1C[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000004452361 558588581 /nfs/dbraw/zinc/58/85/81/558588581.db2.gz VYHPNWLBYVEQIH-YXSDIZSPSA-N 1 0 417.347 3.887 50 0 HHAARO CCN1CCN(C(=O)[C@H](C)[NH2+]C[C@@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258849 558593289 /nfs/dbraw/zinc/59/32/89/558593289.db2.gz RGXHXEQOMFBAJA-FXAWDEMLSA-N 1 0 410.587 3.504 50 0 HHAARO Oc1ccccc1N1CC[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000024363845 558596137 /nfs/dbraw/zinc/59/61/37/558596137.db2.gz NYVQBMUXPDLIFO-QHCPKHFHSA-N 1 0 418.537 3.681 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cccnc2OCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000024538598 558600654 /nfs/dbraw/zinc/60/06/54/558600654.db2.gz MKDUCRSOCUDORT-GOSISDBHSA-N 1 0 423.435 3.598 50 0 HHAARO Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c12 ZINC000025432654 558640820 /nfs/dbraw/zinc/64/08/20/558640820.db2.gz ULXDOUMDDIWNFS-UHFFFAOYSA-N 1 0 405.546 3.795 50 0 HHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000014541438 558660109 /nfs/dbraw/zinc/66/01/09/558660109.db2.gz GRSZIINNPCGRPN-IBGZPJMESA-N 1 0 407.558 3.629 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014543520 558660947 /nfs/dbraw/zinc/66/09/47/558660947.db2.gz MHUPHIYDTQVUNO-FQEVSTJZSA-N 1 0 420.557 3.722 50 0 HHAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000022936171 558666553 /nfs/dbraw/zinc/66/65/53/558666553.db2.gz KLTSQABWBUCFQB-UHFFFAOYSA-N 1 0 405.546 3.754 50 0 HHAARO COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014747620 558669773 /nfs/dbraw/zinc/66/97/73/558669773.db2.gz KPLOSHKRBFTNAT-UHFFFAOYSA-N 1 0 423.557 3.884 50 0 HHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000014749742 558670445 /nfs/dbraw/zinc/67/04/45/558670445.db2.gz ZLFOZRKQWMLELS-UHFFFAOYSA-N 1 0 423.582 3.843 50 0 HHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@H]([NH2+]Cc1ccccc1Cl)CC2 ZINC000014750342 558670663 /nfs/dbraw/zinc/67/06/63/558670663.db2.gz JFMQNFQHOLLNKH-MRXNPFEDSA-N 1 0 412.921 3.586 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1cccs1)C2 ZINC000014751274 558670842 /nfs/dbraw/zinc/67/08/42/558670842.db2.gz ACUFXTKWODORDE-QGZVFWFLSA-N 1 0 400.592 3.970 50 0 HHAARO CC(C)c1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)C4CCOCC4)O3)CC2)cc1 ZINC000014888266 558677775 /nfs/dbraw/zinc/67/77/75/558677775.db2.gz RUFUDJSQKBCXEU-QHCPKHFHSA-N 1 0 414.590 3.866 50 0 HHAARO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)NCC1(c2ccccc2)CCC1 ZINC000027951629 558685234 /nfs/dbraw/zinc/68/52/34/558685234.db2.gz WCMAGOZZNWCWCO-HXUWFJFHSA-N 1 0 405.542 3.575 50 0 HHAARO O=C(c1cc(COc2cccc3cnccc32)on1)N1CC[NH+](C2CCCC2)CC1 ZINC000014974371 558688687 /nfs/dbraw/zinc/68/86/87/558688687.db2.gz HQYXQLDTYCWNDY-UHFFFAOYSA-N 1 0 406.486 3.502 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)Cc4ccccc4)CC[C@@H]32)cc1OC ZINC000014988510 558693590 /nfs/dbraw/zinc/69/35/90/558693590.db2.gz WAMMFDZHYNKXNX-YADHBBJMSA-N 1 0 408.542 3.759 50 0 HHAARO Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CC[NH+]([C@@H](C)Cc2cccnc2)CC3)cc1 ZINC000014996601 558696281 /nfs/dbraw/zinc/69/62/81/558696281.db2.gz GWORXNYQGUOQHR-URXFXBBRSA-N 1 0 421.585 3.961 50 0 HHAARO Cc1ccc(OCCN(C)C(=O)[C@@H]2CC23CC[NH+]([C@H](C)Cc2cccnc2)CC3)cc1 ZINC000014996603 558696416 /nfs/dbraw/zinc/69/64/16/558696416.db2.gz GWORXNYQGUOQHR-QPPBQGQZSA-N 1 0 421.585 3.961 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@@H](C)Oc3cccc(C)c3C)CCCCC2)CC1 ZINC000028403195 558699975 /nfs/dbraw/zinc/69/99/75/558699975.db2.gz HYAFUYXIQGJLEC-OAQYLSRUSA-N 1 0 401.595 3.527 50 0 HHAARO COc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000015065854 558708582 /nfs/dbraw/zinc/70/85/82/558708582.db2.gz XLLBKSDTHAAJPN-JOCHJYFZSA-N 1 0 408.542 3.872 50 0 HHAARO Cc1cccn2c(C[N@H+](C)C3CCOCC3)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000015067357 558710180 /nfs/dbraw/zinc/71/01/80/558710180.db2.gz XNFDVHOLOLMVHF-UHFFFAOYSA-N 1 0 420.557 3.568 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1cccs1 ZINC000015068384 558710963 /nfs/dbraw/zinc/71/09/63/558710963.db2.gz ATSUDEWQRRXDGW-UHFFFAOYSA-N 1 0 402.560 3.758 50 0 HHAARO O=c1c2c(ncn1Cc1ccc(F)cc1)sc1c2CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000015071878 558713252 /nfs/dbraw/zinc/71/32/52/558713252.db2.gz DKROEBIGFLEIDZ-GOSISDBHSA-N 1 0 420.513 3.688 50 0 HHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccccn2)CC1 ZINC000015074999 558715529 /nfs/dbraw/zinc/71/55/29/558715529.db2.gz UMIRTOXBHHQVKV-UHFFFAOYSA-N 1 0 405.502 3.523 50 0 HHAARO COc1cccc2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)c(=O)oc21 ZINC000030551662 558732642 /nfs/dbraw/zinc/73/26/42/558732642.db2.gz AYCHLEFKNPOIDE-UHFFFAOYSA-N 1 0 406.482 3.718 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)c(C)c1 ZINC000033318541 558766378 /nfs/dbraw/zinc/76/63/78/558766378.db2.gz KIBVWNUSDLAPNL-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072308340 558770115 /nfs/dbraw/zinc/77/01/15/558770115.db2.gz OXMJVAXFVCTJCV-JCMPLMDJSA-N 1 0 409.618 3.914 50 0 HHAARO CC1CCN(c2ccc(CNC(=O)NCCCC[NH+]3CCC(C)CC3)cn2)CC1 ZINC000071927810 558770751 /nfs/dbraw/zinc/77/07/51/558770751.db2.gz FLSNJAKFGYVYKV-UHFFFAOYSA-N 1 0 401.599 3.629 50 0 HHAARO CC(C)[C@H]([NH2+]CC(=O)NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCCCO2 ZINC000016695780 558801181 /nfs/dbraw/zinc/80/11/81/558801181.db2.gz GMSYIZQXQFZONY-VWLOTQADSA-N 1 0 421.541 3.975 50 0 HHAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(O)c1)N(CCC[NH+](C)C)C3=O ZINC000016741924 558803814 /nfs/dbraw/zinc/80/38/14/558803814.db2.gz YRKBBNSIMMLVSP-NRFANRHFSA-N 1 0 406.482 3.612 50 0 HHAARO NC(=O)c1cccc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)c1 ZINC000071890562 558808005 /nfs/dbraw/zinc/80/80/05/558808005.db2.gz PKXFAGJTQONQHB-LJQANCHMSA-N 1 0 406.461 3.744 50 0 HHAARO O=C(Cn1ncc2ccccc21)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000039359838 558820482 /nfs/dbraw/zinc/82/04/82/558820482.db2.gz HAZPLLJGAVBQNW-RUZDIDTESA-N 1 0 402.542 3.594 50 0 HHAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019222358 558852201 /nfs/dbraw/zinc/85/22/01/558852201.db2.gz MYTKPIAPOTZWIR-JOCHJYFZSA-N 1 0 410.949 3.799 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019228975 558853213 /nfs/dbraw/zinc/85/32/13/558853213.db2.gz HPCGLZDVDKIVEF-OAQYLSRUSA-N 1 0 403.530 3.798 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000055037203 558870473 /nfs/dbraw/zinc/87/04/73/558870473.db2.gz VWJJGOLTXOHWRE-HXUWFJFHSA-N 1 0 412.509 3.653 50 0 HHAARO CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000055119644 558873240 /nfs/dbraw/zinc/87/32/40/558873240.db2.gz GSAAGSUVRWCSLI-UHFFFAOYSA-N 1 0 401.576 3.987 50 0 HHAARO O=C(N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1)C1(c2ccccc2)CC1 ZINC000055358161 558879865 /nfs/dbraw/zinc/87/98/65/558879865.db2.gz QLTQGKYFGPZRME-QHCPKHFHSA-N 1 0 407.533 3.671 50 0 HHAARO CCOc1ccc2nc(N3CCC[N@H+](Cc4c(C)nn(CC)c4C)CC3)nc(C)c2c1 ZINC000055575371 558882855 /nfs/dbraw/zinc/88/28/55/558882855.db2.gz UNHULIQHZZDHLX-UHFFFAOYSA-N 1 0 422.577 3.882 50 0 HHAARO CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](Cc4ccccc4)CC3)c2c1C ZINC000058123852 558900193 /nfs/dbraw/zinc/90/01/93/558900193.db2.gz SBNPVALEDBXSEC-UHFFFAOYSA-N 1 0 410.543 3.807 50 0 HHAARO Cc1cccc(N2C[C@H](C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2=O)c1C ZINC000058151293 558902481 /nfs/dbraw/zinc/90/24/81/558902481.db2.gz GJGKSHOIYOUUHD-HXUWFJFHSA-N 1 0 423.582 3.844 50 0 HHAARO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(N2CCOCC2)cc1 ZINC000058158662 558903870 /nfs/dbraw/zinc/90/38/70/558903870.db2.gz VUMYIWQXMDYPIZ-UHFFFAOYSA-N 1 0 401.510 3.841 50 0 HHAARO CC(C)[C@H](NC(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000058183223 558910435 /nfs/dbraw/zinc/91/04/35/558910435.db2.gz SNUIPXGYCRDILO-NRFANRHFSA-N 1 0 403.567 3.737 50 0 HHAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2cccc(Cl)c2)CC1 ZINC000004710312 558914274 /nfs/dbraw/zinc/91/42/74/558914274.db2.gz FBAQALQTPFBPAP-UHFFFAOYSA-N 1 0 412.987 3.521 50 0 HHAARO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058306341 558918258 /nfs/dbraw/zinc/91/82/58/558918258.db2.gz ZNADWKNSJOLCCW-JOCHJYFZSA-N 1 0 405.546 3.685 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058393593 558924017 /nfs/dbraw/zinc/92/40/17/558924017.db2.gz ONZGYLXZPQCLNJ-GOSISDBHSA-N 1 0 404.986 3.826 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(C)c(Cl)c2)[nH+]1 ZINC000072117794 558927653 /nfs/dbraw/zinc/92/76/53/558927653.db2.gz HTTQOJGDTFXYOI-UHFFFAOYSA-N 1 0 402.930 3.971 50 0 HHAARO CC[NH+]1CCN(CCCNC(=O)[C@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000059922948 558939925 /nfs/dbraw/zinc/93/99/25/558939925.db2.gz RWRJJAWNYXBUIF-AWEZNQCLSA-N 1 0 404.407 3.618 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000019606732 558946651 /nfs/dbraw/zinc/94/66/51/558946651.db2.gz JTUAGOCWIOINHR-OAQYLSRUSA-N 1 0 405.539 3.736 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c(Cl)c1 ZINC000065362065 558972839 /nfs/dbraw/zinc/97/28/39/558972839.db2.gz IGNAEKMCAZKLQF-UHFFFAOYSA-N 1 0 423.908 3.931 50 0 HHAARO CCNc1cc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc(C)[nH+]1 ZINC000065363255 558974185 /nfs/dbraw/zinc/97/41/85/558974185.db2.gz XTVUEPWFSWVCMT-UHFFFAOYSA-N 1 0 408.428 3.590 50 0 HHAARO Cc1cccc(-c2nc3cc4c(cc3cc2CN2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC4)c1 ZINC000072425748 558978951 /nfs/dbraw/zinc/97/89/51/558978951.db2.gz KUHUXJJIBUIDIG-DQEYMECFSA-N 1 0 401.554 3.806 50 0 HHAARO NC(=O)N[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)c1ccc(Cl)cc1 ZINC000022414129 558990831 /nfs/dbraw/zinc/99/08/31/558990831.db2.gz ANQPMDYDODTVDW-IBGZPJMESA-N 1 0 420.985 3.745 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3nc4ccccc4n3C)C2)cc1 ZINC000076949818 558998791 /nfs/dbraw/zinc/99/87/91/558998791.db2.gz HOPHBPNWKOZLAZ-NRFANRHFSA-N 1 0 406.574 3.968 50 0 HHAARO Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)NCCc4ccccc4)C3)CC2)o1 ZINC000082086569 559036784 /nfs/dbraw/zinc/03/67/84/559036784.db2.gz BSHDCGMGLPAUMN-JOCHJYFZSA-N 1 0 409.574 3.623 50 0 HHAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082096862 559037520 /nfs/dbraw/zinc/03/75/20/559037520.db2.gz WUVAGZCQZBCYTP-JOCHJYFZSA-N 1 0 410.606 3.551 50 0 HHAARO CCC1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082114505 559038979 /nfs/dbraw/zinc/03/89/79/559038979.db2.gz YEPRBWNDKMSVIO-JOCHJYFZSA-N 1 0 412.622 3.797 50 0 HHAARO Cn1cc([C@@H](CNC(=O)c2ccccc2Br)[NH+](C)C)c2ccccc21 ZINC000023239955 559064752 /nfs/dbraw/zinc/06/47/52/559064752.db2.gz RSEAPDBJWONPIP-LJQANCHMSA-N 1 0 400.320 3.974 50 0 HHAARO Cc1ccc(OCC[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)cc1C ZINC000091586019 559072120 /nfs/dbraw/zinc/07/21/20/559072120.db2.gz RVNMIBWYICYPSE-JOCHJYFZSA-N 1 0 400.563 3.566 50 0 HHAARO Cn1cnc2cc(C(=O)N3CCC4(CC3)C[C@@H](c3ccccc3)C[N@H+](C)C4)ccc21 ZINC000096142148 559095567 /nfs/dbraw/zinc/09/55/67/559095567.db2.gz AGNAMSJDBMRRCI-OAQYLSRUSA-N 1 0 402.542 3.915 50 0 HHAARO Cn1cnc2cc(C(=O)N3CCC4(CC3)C[C@H](c3ccccc3)C[N@H+](C)C4)ccc21 ZINC000096142147 559095591 /nfs/dbraw/zinc/09/55/91/559095591.db2.gz AGNAMSJDBMRRCI-NRFANRHFSA-N 1 0 402.542 3.915 50 0 HHAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3c4c(nc5ncnn53)CCCC4)CC2)cc1 ZINC000023316762 559117243 /nfs/dbraw/zinc/11/72/43/559117243.db2.gz AWQDBAAGWFDOMN-UHFFFAOYSA-N 1 0 404.562 3.623 50 0 HHAARO O=C(NCCn1ncc2c1ncnc2N1CCCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000011665931 559147308 /nfs/dbraw/zinc/14/73/08/559147308.db2.gz HZYHQBGPXPBZGY-UHFFFAOYSA-N 1 0 422.577 3.539 50 0 HHAARO CC(C)[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000004872393 559194610 /nfs/dbraw/zinc/19/46/10/559194610.db2.gz WDNUPQJQJLLHTM-XVAXZDLZSA-N 1 0 407.643 3.972 50 0 HHAARO CCOC(=O)CCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)CC(C)C ZINC000005095567 559245101 /nfs/dbraw/zinc/24/51/01/559245101.db2.gz NKXVHSCBZRAWKS-NRFANRHFSA-N 1 0 410.555 3.701 50 0 HHAARO Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCC[NH+]3CCCC3)c(C)c12 ZINC000005150818 559253703 /nfs/dbraw/zinc/25/37/03/559253703.db2.gz MKINZOSVFKTUJK-UHFFFAOYSA-N 1 0 419.573 3.880 50 0 HHAARO CSc1nc(C)c(CCC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c(C)n1 ZINC000062581818 559273818 /nfs/dbraw/zinc/27/38/18/559273818.db2.gz IHLLDSHEHSYCPT-UHFFFAOYSA-N 1 0 414.619 3.771 50 0 HHAARO O=C(CC[NH+]1CCCC1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 ZINC000080340176 560541881 /nfs/dbraw/zinc/54/18/81/560541881.db2.gz JKGNPLKOARPJNP-UHFFFAOYSA-N 1 0 414.889 3.767 50 0 HHAARO Cc1cccc(Nc2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cs2)n1 ZINC000062022564 560567385 /nfs/dbraw/zinc/56/73/85/560567385.db2.gz RCIPCGAYAWBJFS-UHFFFAOYSA-N 1 0 407.543 3.985 50 0 HHAARO CSCC[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)C(=O)Nc1ccc(C)cc12 ZINC000005450787 560590088 /nfs/dbraw/zinc/59/00/88/560590088.db2.gz BHMHCUVALATMGV-CECAUBDESA-N 1 0 413.518 3.651 50 0 HHAARO COC(=O)N1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)CC1 ZINC000583652241 560779295 /nfs/dbraw/zinc/77/92/95/560779295.db2.gz DUEDHAJLEKFMML-VQTJNVASSA-N 1 0 417.550 3.600 50 0 HHAARO COc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)c3cc(C)on3)nc21 ZINC000012229633 568418347 /nfs/dbraw/zinc/41/83/47/568418347.db2.gz JXLGYHJUSIRLAM-UHFFFAOYSA-N 1 0 408.911 3.853 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000046146358 568430598 /nfs/dbraw/zinc/43/05/98/568430598.db2.gz YSSKONCBSSMQIN-QHCPKHFHSA-N 1 0 416.569 3.916 50 0 HHAARO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000048237366 568433098 /nfs/dbraw/zinc/43/30/98/568433098.db2.gz DILAHKWSJKHIAP-LSDHHAIUSA-N 1 0 415.347 3.984 50 0 HHAARO CCOc1cc(C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc(Br)c1OCC ZINC000048275538 568435509 /nfs/dbraw/zinc/43/55/09/568435509.db2.gz AUKIFBYYAYILAU-PKOBYXMFSA-N 1 0 406.320 3.994 50 0 HHAARO CC(=O)NCc1ccc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000048310300 568436665 /nfs/dbraw/zinc/43/66/65/568436665.db2.gz XUJKECBZUNJWGL-KDURUIRLSA-N 1 0 407.558 3.731 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CCNC(=O)c3ccsc3)cc2)C1 ZINC000048310671 568436777 /nfs/dbraw/zinc/43/67/77/568436777.db2.gz SXOIOYABKWHZBW-QZTJIDSGSA-N 1 0 413.587 3.662 50 0 HHAARO COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(CCc3ccccc3)CC1)CC2 ZINC000022134829 568475790 /nfs/dbraw/zinc/47/57/90/568475790.db2.gz OPYZDLMRXBRISP-UHFFFAOYSA-N 1 0 422.569 3.933 50 0 HHAARO FC(F)Oc1ccc(Br)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000025261834 568517048 /nfs/dbraw/zinc/51/70/48/568517048.db2.gz UZQQOPIFYSBTOK-ZDUSSCGKSA-N 1 0 400.219 3.980 50 0 HHAARO C[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2Cl)CC1 ZINC000020107918 568588423 /nfs/dbraw/zinc/58/84/23/568588423.db2.gz BRJCPTAOQMNXGR-UHFFFAOYSA-N 1 0 406.983 3.770 50 0 HHAARO CCCOc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000095365181 568601999 /nfs/dbraw/zinc/60/19/99/568601999.db2.gz SRCKBNMNUFCHGH-UHFFFAOYSA-N 1 0 400.494 3.774 50 0 HHAARO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000040043164 568609246 /nfs/dbraw/zinc/60/92/46/568609246.db2.gz UIVYPRRDBJSMNK-INIZCTEOSA-N 1 0 415.588 3.787 50 0 HHAARO C[C@@H]1CCCCN1c1cc(C(=O)Nc2cccc(CCN3CC[NH+](C)CC3)c2)ccn1 ZINC000095457795 568618696 /nfs/dbraw/zinc/61/86/96/568618696.db2.gz YYJMSBNUBYZPMA-HXUWFJFHSA-N 1 0 421.589 3.503 50 0 HHAARO O=C(c1ccc(C[S@](=O)c2ccc(F)cc2)o1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020515041 568622853 /nfs/dbraw/zinc/62/28/53/568622853.db2.gz ABYVSXRFJMOAQP-GDLZYMKVSA-N 1 0 418.534 3.817 50 0 HHAARO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2CN1CC[NH+](C)CC1 ZINC000095476707 568630493 /nfs/dbraw/zinc/63/04/93/568630493.db2.gz IKZNFHXENIYYDN-UHFFFAOYSA-N 1 0 403.482 3.965 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1Br ZINC000020889962 568647732 /nfs/dbraw/zinc/64/77/32/568647732.db2.gz GSVJEMUHADKCPD-UHFFFAOYSA-N 1 0 417.351 3.783 50 0 HHAARO O=C(COCc1cc(-c2ccc(F)cc2)on1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000020925799 568651324 /nfs/dbraw/zinc/65/13/24/568651324.db2.gz YKCLXVPKBGTPOJ-UHFFFAOYSA-N 1 0 423.488 3.562 50 0 HHAARO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000095945486 568663682 /nfs/dbraw/zinc/66/36/82/568663682.db2.gz LRLNJGQVVROVCN-JKSUJKDBSA-N 1 0 409.958 3.838 50 0 HHAARO COc1ccc(C)cc1NC(=O)NCCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000021174766 568677042 /nfs/dbraw/zinc/67/70/42/568677042.db2.gz ONWUHEDVVBGYIE-UHFFFAOYSA-N 1 0 410.562 3.954 50 0 HHAARO COc1ccc(C[NH+]2CCC(NC(=O)CCc3c[nH]c4ccccc34)CC2)cc1OC ZINC000096116242 568695874 /nfs/dbraw/zinc/69/58/74/568695874.db2.gz CBNRDAKDWQXBBI-UHFFFAOYSA-N 1 0 421.541 3.899 50 0 biogenic HHAARO COc1ccc(CNC(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000229428269 568713879 /nfs/dbraw/zinc/71/38/79/568713879.db2.gz JJYFSVXSZXCTHI-AZUAARDMSA-N 1 0 402.560 3.741 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)NC[C@H](c3cccs3)[NH+](C)C)cc2F)C[C@H](C)O1 ZINC000229762457 568715256 /nfs/dbraw/zinc/71/52/56/568715256.db2.gz PRPMLKFYHNBGTJ-ZRGWGRIASA-N 1 0 420.554 3.925 50 0 HHAARO CCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000241126166 568730836 /nfs/dbraw/zinc/73/08/36/568730836.db2.gz JKAMFAAXOZSANA-CABCVRRESA-N 1 0 401.473 3.665 50 0 HHAARO C[NH+](C)CCCOC(=O)c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)(F)F ZINC000021792692 568753165 /nfs/dbraw/zinc/75/31/65/568753165.db2.gz TXZZVSMRQYRHQL-UHFFFAOYSA-N 1 0 410.371 3.663 50 0 HHAARO O=c1[nH]c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2ccsc21 ZINC000021822153 568754554 /nfs/dbraw/zinc/75/45/54/568754554.db2.gz GPAXDBFZUYXJJG-UHFFFAOYSA-N 1 0 416.550 3.892 50 0 HHAARO CCOc1ccc(NC(=O)C2=C(C)C(=O)OC23CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000021868328 568755883 /nfs/dbraw/zinc/75/58/83/568755883.db2.gz BETAJGIGMNOEKS-UHFFFAOYSA-N 1 0 420.509 3.932 50 0 biogenic HHAARO O=C(COc1ccccc1)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000097064081 568767318 /nfs/dbraw/zinc/76/73/18/568767318.db2.gz SBBTXPBCDGHKFF-UHFFFAOYSA-N 1 0 415.537 3.704 50 0 HHAARO CC(C)C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccc3)CC1)n2C ZINC000052670999 568775544 /nfs/dbraw/zinc/77/55/44/568775544.db2.gz ZZRKJQRKGZVTBD-UHFFFAOYSA-N 1 0 405.546 3.533 50 0 HHAARO O=C(COc1ccc(Br)cc1F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005936490 568830373 /nfs/dbraw/zinc/83/03/73/568830373.db2.gz WGIJIQJCUJBCLB-UHFFFAOYSA-N 1 0 421.310 3.748 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000029837100 568837037 /nfs/dbraw/zinc/83/70/37/568837037.db2.gz CGPBJJNLZWCLAR-VQTJNVASSA-N 1 0 419.928 3.653 50 0 HHAARO C[N@H+](CCOc1ccc(Br)cc1)Cc1cc(=O)oc2cc(O)ccc12 ZINC000057442490 568837063 /nfs/dbraw/zinc/83/70/63/568837063.db2.gz GLFPZOLWMFDXMR-UHFFFAOYSA-N 1 0 404.260 3.772 50 0 HHAARO Cc1nc2c(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)cnn2c(C)c1Cc1ccccc1 ZINC000003041059 568847878 /nfs/dbraw/zinc/84/78/78/568847878.db2.gz CHWUHUJTMCYAIB-SFHVURJKSA-N 1 0 419.573 3.931 50 0 HHAARO O=C(CSc1nc2ccccc2n1C(F)F)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012544432 568849639 /nfs/dbraw/zinc/84/96/39/568849639.db2.gz KXQNVGIODCSAQP-MRXNPFEDSA-N 1 0 416.497 3.914 50 0 HHAARO CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000012548145 568851285 /nfs/dbraw/zinc/85/12/85/568851285.db2.gz XWZSIHZZWZEYLB-QFIPXVFZSA-N 1 0 406.530 3.561 50 0 HHAARO COc1ccc([C@@]2(O)C[N+](Cc3ccc(Br)cc3)=C3CCCCN32)cc1 ZINC000003165222 568858970 /nfs/dbraw/zinc/85/89/70/568858970.db2.gz OIXWWTMJKQHCAE-NRFANRHFSA-N 1 0 416.339 3.714 50 0 HHAARO COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000003261412 568869174 /nfs/dbraw/zinc/86/91/74/568869174.db2.gz VTHDVDAJZUUHBN-IFXJQAMLSA-N 1 0 404.532 3.729 50 0 HHAARO COc1cccc(CCn2cnc3sc4c(c3c2=O)CC[C@@H]([NH+]2CCCC2)C4)c1 ZINC000299762596 568873350 /nfs/dbraw/zinc/87/33/50/568873350.db2.gz XNBZPSJPWSBLFK-QGZVFWFLSA-N 1 0 409.555 3.662 50 0 HHAARO CC1(C)C[C@@H](C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770198 568874102 /nfs/dbraw/zinc/87/41/02/568874102.db2.gz QFJSKZJYZRUYPF-PZJWPPBQSA-N 1 0 418.553 3.661 50 0 HHAARO Cc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]Cc2ccccc2)C4)n1 ZINC000299784782 568875470 /nfs/dbraw/zinc/87/54/70/568875470.db2.gz HZTJTDMGCLQFLY-SFHVURJKSA-N 1 0 416.550 3.857 50 0 HHAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)c2cc3c(s2)CCCCC3)C1 ZINC000058156778 568893392 /nfs/dbraw/zinc/89/33/92/568893392.db2.gz XUQSWQWGKBPUEY-SFHVURJKSA-N 1 0 411.571 3.967 50 0 HHAARO CCOc1c(Br)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000003427402 568900756 /nfs/dbraw/zinc/90/07/56/568900756.db2.gz KACXRPKNTFTHIC-UHFFFAOYSA-N 1 0 413.356 3.895 50 0 HHAARO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000083823593 568917642 /nfs/dbraw/zinc/91/76/42/568917642.db2.gz FBHYLITXKCFZDP-NRFANRHFSA-N 1 0 406.523 3.717 50 0 HHAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccc(C)o3)CC2)cc1OC ZINC000004616432 568928611 /nfs/dbraw/zinc/92/86/11/568928611.db2.gz MIWDTICLZYUWOS-UHFFFAOYSA-N 1 0 400.519 3.518 50 0 HHAARO C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000012747451 568933540 /nfs/dbraw/zinc/93/35/40/568933540.db2.gz KMYGFNGHHTUQMR-IBGZPJMESA-N 1 0 409.530 3.604 50 0 HHAARO O=C(NCCCn1ccnc1)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000006445957 568936625 /nfs/dbraw/zinc/93/66/25/568936625.db2.gz GIVOPYHHSKYZIU-HIFRSBDPSA-N 1 0 424.452 3.622 50 0 HHAARO COc1cccc2cc(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)c(=O)oc21 ZINC000004102036 568942912 /nfs/dbraw/zinc/94/29/12/568942912.db2.gz JZDRUCGULJGQAD-UHFFFAOYSA-N 1 0 422.525 3.528 50 0 HHAARO CCN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)c1ccccc1 ZINC000084779638 568959228 /nfs/dbraw/zinc/95/92/28/568959228.db2.gz HOKJXTJONGYPHC-YOFSQIOKSA-N 1 0 401.551 3.902 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000007980105 568963472 /nfs/dbraw/zinc/96/34/72/568963472.db2.gz CRZVPCRSJHQBGR-HSZRJFAPSA-N 1 0 420.557 3.884 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3cccn3)cc2)[NH+]2CCCCC2)cc1 ZINC000007989702 568966499 /nfs/dbraw/zinc/96/64/99/568966499.db2.gz RXDMWLYIOZTWEQ-QHCPKHFHSA-N 1 0 404.514 3.838 50 0 HHAARO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2-n2cccc2)cc1 ZINC000015681273 568967965 /nfs/dbraw/zinc/96/79/65/568967965.db2.gz ZNLVJMPWIDQEMV-HXUWFJFHSA-N 1 0 405.546 3.966 50 0 HHAARO O=C(Cn1c2ccccc2nc1-c1cscn1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008338269 568993296 /nfs/dbraw/zinc/99/32/96/568993296.db2.gz VDIIYSDCYDXWOA-IBGZPJMESA-N 1 0 421.526 3.706 50 0 HHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nccnc1-c1nc2ccccc2s1 ZINC000008367133 568995476 /nfs/dbraw/zinc/99/54/76/568995476.db2.gz JHVXONMNEJMRFN-KRWDZBQOSA-N 1 0 415.522 3.758 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000015770195 568997473 /nfs/dbraw/zinc/99/74/73/568997473.db2.gz VLCRCPWSPJUFHY-GOSISDBHSA-N 1 0 415.607 3.679 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccnc(-c3ccc(C)cc3)n2)CC1 ZINC000085649238 569005585 /nfs/dbraw/zinc/00/55/85/569005585.db2.gz JZTSZUNZQIVNKU-UHFFFAOYSA-N 1 0 409.578 3.517 50 0 HHAARO CC(=O)Nc1ccc(NC(=O)C[N@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000012877859 569013975 /nfs/dbraw/zinc/01/39/75/569013975.db2.gz IRVBWZRCXIXLBT-UHFFFAOYSA-N 1 0 409.486 3.757 50 0 HHAARO Cc1c(C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)sc2ncn(C)c(=O)c12 ZINC000053618370 569031733 /nfs/dbraw/zinc/03/17/33/569031733.db2.gz IFVYQJJLHMUDBQ-UHFFFAOYSA-N 1 0 410.543 3.788 50 0 HHAARO Cc1cc(=O)oc2cc(OCC(=O)NCC3([NH+]4CCCCC4)CCCCC3)ccc12 ZINC000006287699 569037584 /nfs/dbraw/zinc/03/75/84/569037584.db2.gz HLLNKADDUGSUKF-UHFFFAOYSA-N 1 0 412.530 3.785 50 0 HHAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)[nH+]1 ZINC000090607826 569042102 /nfs/dbraw/zinc/04/21/02/569042102.db2.gz QGOHHOPWNGSONQ-UHFFFAOYSA-N 1 0 415.419 3.557 50 0 HHAARO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C(C)C)C4)cc(OC)c1OC ZINC000006364680 569046002 /nfs/dbraw/zinc/04/60/02/569046002.db2.gz MHFLBRDHUQVIMT-LJQANCHMSA-N 1 0 417.531 3.969 50 0 HHAARO C[C@H]1C[NH+](CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@H](C)O1 ZINC000012999040 569048930 /nfs/dbraw/zinc/04/89/30/569048930.db2.gz KUBHDMBHEZRVIV-ROUUACIJSA-N 1 0 410.518 3.560 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNS(=O)(=O)c1ccc(Br)s1 ZINC000013014000 569050964 /nfs/dbraw/zinc/05/09/64/569050964.db2.gz HBKIWKSCDGMGQT-UHFFFAOYSA-N 1 0 417.394 3.831 50 0 HHAARO COc1ccc([C@@H](C[NH2+]Cc2c(Cl)cccc2N(C)C)N2CCOCC2)cc1 ZINC000089326732 569058466 /nfs/dbraw/zinc/05/84/66/569058466.db2.gz ZAATXPJAGPAQNZ-JOCHJYFZSA-N 1 0 403.954 3.578 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4noc(C(C)C)n4)C3)C2)c1OC ZINC000426739085 569074149 /nfs/dbraw/zinc/07/41/49/569074149.db2.gz PYNKTPFTVYKWPS-JOCHJYFZSA-N 1 0 400.523 3.703 50 0 HHAARO CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006658719 569083530 /nfs/dbraw/zinc/08/35/30/569083530.db2.gz NGXGRZNVCKISHE-HNNXBMFYSA-N 1 0 414.546 3.938 50 0 HHAARO CCCc1cc(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006660143 569084156 /nfs/dbraw/zinc/08/41/56/569084156.db2.gz QMDXAJFEOHZNLN-UHFFFAOYSA-N 1 0 400.519 3.550 50 0 HHAARO O=C(NCCC[NH+]1CCCCCC1)c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC000064746361 569088259 /nfs/dbraw/zinc/08/82/59/569088259.db2.gz IZWGGIVETHIAEL-UHFFFAOYSA-N 1 0 411.550 3.723 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+][C@@H](C)c3ccccc3)cc21 ZINC000006732827 569103937 /nfs/dbraw/zinc/10/39/37/569103937.db2.gz UOVFGADLIZZKCT-LPHOPBHVSA-N 1 0 410.514 3.754 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2cc(N3CCCC3)ncn2)cc1 ZINC000064989352 569145873 /nfs/dbraw/zinc/14/58/73/569145873.db2.gz WJMVTEVFSCYYII-LJQANCHMSA-N 1 0 407.562 3.738 50 0 HHAARO CC(C)C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000006874261 569162637 /nfs/dbraw/zinc/16/26/37/569162637.db2.gz GATQKLATUMHZNQ-DEOSSOPVSA-N 1 0 419.569 3.838 50 0 HHAARO CC(=O)NCCc1ccc(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000036390798 569166046 /nfs/dbraw/zinc/16/60/46/569166046.db2.gz DLDHPFSZNGYPSW-IBGZPJMESA-N 1 0 407.558 3.670 50 0 HHAARO Cc1ccc(C)c(CNC(=O)C2CC[NH+](CCc3cn(C)c4ncccc34)CC2)c1 ZINC000065164988 569189429 /nfs/dbraw/zinc/18/94/29/569189429.db2.gz ZYLJXUBLOOYERZ-UHFFFAOYSA-N 1 0 404.558 3.761 50 0 HHAARO CCOc1c(Br)cc(C(=O)NCc2ccccc2C[NH+](C)C)cc1OC ZINC000006992855 569196487 /nfs/dbraw/zinc/19/64/87/569196487.db2.gz MNYARSLGZGGSKW-UHFFFAOYSA-N 1 0 421.335 3.848 50 0 HHAARO COc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@@H](c4ccccc4)C3)n2)c(OC)c1 ZINC000065256292 569208367 /nfs/dbraw/zinc/20/83/67/569208367.db2.gz DOKDZILMYGRSAQ-OAQYLSRUSA-N 1 0 418.497 3.502 50 0 HHAARO CCOc1ccccc1CNC(=O)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065256384 569208395 /nfs/dbraw/zinc/20/83/95/569208395.db2.gz BKNDKVDDVJZZDY-QFIPXVFZSA-N 1 0 416.525 3.561 50 0 HHAARO COc1cccc(-c2noc3nc(C)cc(C(=O)N[C@H](C)C[NH+]4CCCCC4)c32)c1 ZINC000036619285 569210621 /nfs/dbraw/zinc/21/06/21/569210621.db2.gz DECBSUBKDWRMOX-MRXNPFEDSA-N 1 0 408.502 3.811 50 0 HHAARO O=C(c1cn2ccnc(-c3ccc(F)cc3)c2n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065274514 569215134 /nfs/dbraw/zinc/21/51/34/569215134.db2.gz FFGGJILVFOYMBD-UHFFFAOYSA-N 1 0 407.493 3.626 50 0 HHAARO C[NH+](C)CCCNC(=O)C1CCN(c2nc3ccc(-c4ccccc4)nc3s2)CC1 ZINC000065272080 569215524 /nfs/dbraw/zinc/21/55/24/569215524.db2.gz ZEZGXTJKRSKWOT-UHFFFAOYSA-N 1 0 423.586 3.643 50 0 HHAARO CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000238899697 569227622 /nfs/dbraw/zinc/22/76/22/569227622.db2.gz HBIHILGQENLYSC-MUGJNUQGSA-N 1 0 407.599 3.698 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065503643 569232959 /nfs/dbraw/zinc/23/29/59/569232959.db2.gz FJNSNQCJKHTLOS-GOTSBHOMSA-N 1 0 406.574 3.724 50 0 HHAARO Cc1cc2c(NCc3ccccc3C[NH+]3CCN(c4ccccc4)CC3)nccn2n1 ZINC000170598826 569242564 /nfs/dbraw/zinc/24/25/64/569242564.db2.gz CZQYPBZRDWTSIS-UHFFFAOYSA-N 1 0 412.541 3.972 50 0 HHAARO COc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 ZINC000170614517 569247152 /nfs/dbraw/zinc/24/71/52/569247152.db2.gz NYQFFWVOAXLMOK-MOPGFXCFSA-N 1 0 408.420 3.953 50 0 HHAARO C[C@H]([NH2+]C1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000170615987 569247741 /nfs/dbraw/zinc/24/77/41/569247741.db2.gz QHXMOCUGTAFEAE-KRWDZBQOSA-N 1 0 413.529 3.745 50 0 HHAARO COc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCCCC2)cc1 ZINC000016993778 569270798 /nfs/dbraw/zinc/27/07/98/569270798.db2.gz WCETXMJAOOJAOQ-XMMPIXPASA-N 1 0 419.525 3.890 50 0 HHAARO Cc1cc(C[N@@H+](C)Cc2cc(=O)n3ccccc3n2)cc(C)c1OCC(F)(F)F ZINC000054396004 569277646 /nfs/dbraw/zinc/27/76/46/569277646.db2.gz SGOABTRKPICZLU-UHFFFAOYSA-N 1 0 405.420 3.884 50 0 HHAARO O[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252474622 569288042 /nfs/dbraw/zinc/28/80/42/569288042.db2.gz IJVQQXZDUWCJLA-XZOQPEGZSA-N 1 0 416.512 3.602 50 0 HHAARO CC1CCC([NH+]2CCC(N(C)C(=O)c3ccccc3CN3CCOCC3)CC2)CC1 ZINC000252571561 569294440 /nfs/dbraw/zinc/29/44/40/569294440.db2.gz YGFVNURNZIMRRM-UHFFFAOYSA-N 1 0 413.606 3.634 50 0 HHAARO [NH3+][C@@H](CCC(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000170677477 569298064 /nfs/dbraw/zinc/29/80/64/569298064.db2.gz VOUDSWOCIYOBSB-NRFANRHFSA-N 1 0 423.538 3.584 50 0 HHAARO Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000007746066 569306279 /nfs/dbraw/zinc/30/62/79/569306279.db2.gz IDHFLOFUNXIYJP-UHFFFAOYSA-N 1 0 413.465 3.566 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2cccc(C[S@](C)=O)c2)C1 ZINC000198026823 569318676 /nfs/dbraw/zinc/31/86/76/569318676.db2.gz RVCSGXJZYCBWOW-IGKOOGGESA-N 1 0 412.599 3.973 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCCC1 ZINC000002239077 569322462 /nfs/dbraw/zinc/32/24/62/569322462.db2.gz OEBZEIYKHDTVIU-UHFFFAOYSA-N 1 0 408.296 3.532 50 0 HHAARO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000253369602 569364672 /nfs/dbraw/zinc/36/46/72/569364672.db2.gz FLBPPPZJVZBPKC-XZOQPEGZSA-N 1 0 423.557 3.691 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCCCC1 ZINC000002294289 569369350 /nfs/dbraw/zinc/36/93/50/569369350.db2.gz BRVOUWKIHAUKLI-UHFFFAOYSA-N 1 0 422.323 3.922 50 0 HHAARO COc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000010450822 569396150 /nfs/dbraw/zinc/39/61/50/569396150.db2.gz QMSHYDDBTJOJFX-UHFFFAOYSA-N 1 0 403.320 3.852 50 0 HHAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+](C)C1CCCCC1 ZINC000002412625 569397076 /nfs/dbraw/zinc/39/70/76/569397076.db2.gz ULMAUOJELGBLEH-UHFFFAOYSA-N 1 0 417.506 3.565 50 0 HHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@]21O ZINC000012661890 569402745 /nfs/dbraw/zinc/40/27/45/569402745.db2.gz PXZKKURWIUHBFW-HJAATKQZSA-N 1 0 405.579 3.745 50 0 biogenic HHAARO CCOc1c(F)cccc1C(=O)N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000079026009 569424805 /nfs/dbraw/zinc/42/48/05/569424805.db2.gz YLJJQYSXDGBWDT-JOCHJYFZSA-N 1 0 414.521 3.742 50 0 HHAARO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc(Cl)c(OCCC(C)C)c(OC)c1 ZINC000079056907 569425972 /nfs/dbraw/zinc/42/59/72/569425972.db2.gz BYWPLPHXOXCSMF-KRWDZBQOSA-N 1 0 414.974 3.860 50 0 HHAARO COc1ccc(-c2cc3c(N4CCC([NH+]5CCCCC5)CC4)nccn3n2)cc1OC ZINC000067285283 571063988 /nfs/dbraw/zinc/06/39/88/571063988.db2.gz VVVCVPIWDOZLLH-UHFFFAOYSA-N 1 0 421.545 3.868 50 0 HHAARO COc1ccc(-c2cc3c(N4CC[NH+](C5CCCCC5)CC4)nccn3n2)cc1OC ZINC000067285315 571064092 /nfs/dbraw/zinc/06/40/92/571064092.db2.gz WAZLTIWOPDNVBD-UHFFFAOYSA-N 1 0 421.545 3.868 50 0 HHAARO CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000040012822 571138374 /nfs/dbraw/zinc/13/83/74/571138374.db2.gz WCIOAKZLHYWJQW-FQEVSTJZSA-N 1 0 401.551 3.587 50 0 HHAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000008893331 571143074 /nfs/dbraw/zinc/14/30/74/571143074.db2.gz NSGYVSSOAFRYKG-SFHVURJKSA-N 1 0 407.486 3.698 50 0 HHAARO CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000040057937 571145995 /nfs/dbraw/zinc/14/59/95/571145995.db2.gz OUQUUVADAATAOD-UHFFFAOYSA-N 1 0 415.559 3.612 50 0 HHAARO CC[NH+]1CCN(Cc2ccccc2CNC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000040089828 571159771 /nfs/dbraw/zinc/15/97/71/571159771.db2.gz HDUWGCKZUNMLHZ-UHFFFAOYSA-N 1 0 407.892 3.686 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1 ZINC000040103432 571163895 /nfs/dbraw/zinc/16/38/95/571163895.db2.gz PDQJVLXUHKCUDY-FQEVSTJZSA-N 1 0 420.916 3.740 50 0 HHAARO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040121109 571176897 /nfs/dbraw/zinc/17/68/97/571176897.db2.gz LPOHMXWYBBIAEA-QGZVFWFLSA-N 1 0 419.447 3.754 50 0 HHAARO C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000040120915 571176924 /nfs/dbraw/zinc/17/69/24/571176924.db2.gz IMLOQOJXHNRPMY-CQSZACIVSA-N 1 0 414.377 3.883 50 0 HHAARO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000040149733 571196871 /nfs/dbraw/zinc/19/68/71/571196871.db2.gz JNIHROQNJVAASO-UHFFFAOYSA-N 1 0 408.926 3.691 50 0 HHAARO COc1cccc(N2CC[NH+](C3CCN(C(=O)c4cc5ccccc5o4)CC3)CC2)c1 ZINC000244998698 571211990 /nfs/dbraw/zinc/21/19/90/571211990.db2.gz KQBPYADWSVIEFM-UHFFFAOYSA-N 1 0 419.525 3.868 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](C(C)C)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)cc1 ZINC000009043094 571215178 /nfs/dbraw/zinc/21/51/78/571215178.db2.gz VOQLNPKKMQJCHV-DCLXLUIPSA-N 1 0 407.514 3.732 50 0 HHAARO CCc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000245238140 571219499 /nfs/dbraw/zinc/21/94/99/571219499.db2.gz YDKOSFYREXZQGA-DFBJGRDBSA-N 1 0 419.569 3.648 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245328881 571225441 /nfs/dbraw/zinc/22/54/41/571225441.db2.gz QNFNKYWEFPREMI-REWPJTCUSA-N 1 0 413.537 3.567 50 0 HHAARO COc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)cc1OC ZINC000009227382 571239241 /nfs/dbraw/zinc/23/92/41/571239241.db2.gz HSBVKHJHHNZBCT-UHFFFAOYSA-N 1 0 424.476 3.748 50 0 HHAARO CC(C)[C@@H]1C[C@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000071335141 571292931 /nfs/dbraw/zinc/29/29/31/571292931.db2.gz DNLKODGNLMHUES-MMOPVJDHSA-N 1 0 401.869 3.899 50 0 HHAARO O=C(NCc1ccc(F)cc1)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010333942 571300592 /nfs/dbraw/zinc/30/05/92/571300592.db2.gz URVVAWJPHQMTJX-HSZRJFAPSA-N 1 0 419.500 3.548 50 0 HHAARO Cn1cc([C@@H](CNC(=O)C2(c3ccccc3)CCOCC2)[NH+](C)C)c2ccccc21 ZINC000077171665 571311803 /nfs/dbraw/zinc/31/18/03/571311803.db2.gz DQZNZIBZHRJMRE-HSZRJFAPSA-N 1 0 405.542 3.646 50 0 HHAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)[C@@H]3CC=CCC3)CC2)CC1 ZINC000011667504 962158408 /nfs/dbraw/zinc/15/84/08/962158408.db2.gz RDVOZRBFHPDWKJ-HSZRJFAPSA-N 1 0 410.606 3.573 50 0 HHAARO COc1ccc(-c2ncc(C[NH+]3CCC(CO)(C[C@H]4CCCCO4)CC3)cn2)cc1 ZINC000011934980 962210313 /nfs/dbraw/zinc/21/03/13/962210313.db2.gz CYVVINVVXOFQSQ-JOCHJYFZSA-N 1 0 411.546 3.686 50 0 HHAARO COc1ccc(-c2nc(CN3CCC([NH+]4CCSCC4)CC3)c(C)o2)c(OC)c1 ZINC000011954557 962215453 /nfs/dbraw/zinc/21/54/53/962215453.db2.gz OBDBVRBBLGNRRT-UHFFFAOYSA-N 1 0 417.575 3.680 50 0 HHAARO Cc1cc(C)n2ncc(CN3CC[C@@]4(C3)CCC[N@H+](CCc3ccccc3)C4)c2n1 ZINC000011957742 962215952 /nfs/dbraw/zinc/21/59/52/962215952.db2.gz BPRCQXOYJGIMSM-VWLOTQADSA-N 1 0 403.574 3.877 50 0 HHAARO COC(=O)Cn1c2cc(Cl)ccc2cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1=O ZINC000012131386 962243816 /nfs/dbraw/zinc/24/38/16/962243816.db2.gz IODCATGKINZIHV-UHFFFAOYSA-N 1 0 414.933 3.886 50 0 HHAARO COc1ccccc1C(=O)N(CC[NH+](C)C)Cc1cc2cccc(C)c2nc1N(C)C ZINC000012211771 962254938 /nfs/dbraw/zinc/25/49/38/962254938.db2.gz XGLKWGDUNCXGNN-UHFFFAOYSA-N 1 0 420.557 3.822 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)C2CCOCC2)CC1 ZINC000012304227 962268069 /nfs/dbraw/zinc/26/80/69/962268069.db2.gz CDGMTSWNGSKFNX-DEOSSOPVSA-N 1 0 414.590 3.641 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012314896 962268240 /nfs/dbraw/zinc/26/82/40/962268240.db2.gz BSZMVQVHOMYKRN-JOCHJYFZSA-N 1 0 423.532 3.665 50 0 HHAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)ccc2c1 ZINC000012447111 962281355 /nfs/dbraw/zinc/28/13/55/962281355.db2.gz UCQAKNHGMZLDKY-LJQANCHMSA-N 1 0 420.557 3.783 50 0 HHAARO CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(OC)cc1)C2 ZINC000014534529 962524549 /nfs/dbraw/zinc/52/45/49/962524549.db2.gz LFAYGNJPZOGOQI-IBGZPJMESA-N 1 0 410.562 3.575 50 0 HHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccc(Cl)cc1)CC2 ZINC000014731895 962563784 /nfs/dbraw/zinc/56/37/84/962563784.db2.gz VKGGOKFMCBTILV-KRWDZBQOSA-N 1 0 412.921 3.586 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)s1)C2 ZINC000014748615 962567796 /nfs/dbraw/zinc/56/77/96/962567796.db2.gz DLBISMVUCVWOLJ-AWEZNQCLSA-N 1 0 406.983 3.891 50 0 HHAARO CN1C(=O)N(CCc2ccccc2)C(=O)C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014749982 962567977 /nfs/dbraw/zinc/56/79/77/962567977.db2.gz GXAHJEHNXVAFIS-VXKWHMMOSA-N 1 0 421.585 3.950 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]CCC1=CCCCC1)CC2 ZINC000014748811 962568171 /nfs/dbraw/zinc/56/81/71/962568171.db2.gz YCEKNNKLBWZVMX-OAQYLSRUSA-N 1 0 406.574 3.971 50 0 HHAARO O=C1CC[N@H+](C2C3CC4CC(C3)CC2C4)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000014997454 962621209 /nfs/dbraw/zinc/62/12/09/962621209.db2.gz IBBAHRIWWKVVSS-UHFFFAOYSA-N 1 0 416.949 3.928 50 0 HHAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000015065413 962645755 /nfs/dbraw/zinc/64/57/55/962645755.db2.gz DRYXOFIRMYEDQU-QGZVFWFLSA-N 1 0 420.542 3.741 50 0 HHAARO Cc1c[nH]c(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000015070196 962647408 /nfs/dbraw/zinc/64/74/08/962647408.db2.gz DZLHBVHHGVJRKS-UHFFFAOYSA-N 1 0 401.470 3.632 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)C1CCCC1 ZINC000015074522 962649995 /nfs/dbraw/zinc/64/99/95/962649995.db2.gz HESOUYLQAXKNJO-UHFFFAOYSA-N 1 0 410.518 3.620 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](C4CSCCSC4)C3)C2)c1 ZINC000019223846 963357558 /nfs/dbraw/zinc/35/75/58/963357558.db2.gz AAJUNGJCRPNMJH-NRFANRHFSA-N 1 0 410.624 3.971 50 0 HHAARO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C1CCN(C(C)=O)CC1)C2 ZINC000020256786 963386446 /nfs/dbraw/zinc/38/64/46/963386446.db2.gz FGPRQXZCPSOFLA-UHFFFAOYSA-N 1 0 400.544 3.937 50 0 HHAARO CN1CCC([N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000020601110 963390242 /nfs/dbraw/zinc/39/02/42/963390242.db2.gz FTZYCIUDJVWTAA-UHFFFAOYSA-N 1 0 418.541 3.853 50 0 HHAARO COc1ccc(-n2ccnc2CN(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000022914125 963739216 /nfs/dbraw/zinc/73/92/16/963739216.db2.gz HXFVDWDGYXMZDK-HSZRJFAPSA-N 1 0 416.569 3.945 50 0 HHAARO COCCN(Cc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000055270773 965801003 /nfs/dbraw/zinc/80/10/03/965801003.db2.gz WYGWRAMQGJSZSE-QFIPXVFZSA-N 1 0 420.597 3.949 50 0 HHAARO CCCn1c2ccccc2nc(-c2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)c1=O ZINC000033298514 966406450 /nfs/dbraw/zinc/40/64/50/966406450.db2.gz IWQVRUMNMSOIQB-UHFFFAOYSA-N 1 0 418.541 3.689 50 0 HHAARO O=C(/C=C\c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000254704358 970576924 /nfs/dbraw/zinc/57/69/24/970576924.db2.gz IGRNSXPILTUZPA-DBBZSVRUSA-N 1 0 416.468 3.574 50 0 HHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)c2ccc(OC)c(F)c2)CC1 ZINC000257194676 970625106 /nfs/dbraw/zinc/62/51/06/970625106.db2.gz UMTQFWQDWUKNDV-UHFFFAOYSA-N 1 0 423.488 3.601 50 0 HHAARO CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1Br ZINC000000679578 132230665 /nfs/dbraw/zinc/23/06/65/132230665.db2.gz FRGDCWYBTGNNGW-UHFFFAOYSA-N 1 0 418.335 3.852 50 0 HHAARO CC[NH+]1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CC(C)(C)OC4)CC1 ZINC000002356928 132253229 /nfs/dbraw/zinc/25/32/29/132253229.db2.gz WCARKBKHHRSFRG-UHFFFAOYSA-N 1 0 409.534 3.888 50 0 HHAARO COc1ccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004791785 132288722 /nfs/dbraw/zinc/28/87/22/132288722.db2.gz ORKWJFBJLLIXNV-UHFFFAOYSA-N 1 0 402.926 3.682 50 0 HHAARO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000008188963 132328368 /nfs/dbraw/zinc/32/83/68/132328368.db2.gz AFMBLIKULRZCCH-SFHVURJKSA-N 1 0 419.566 3.524 50 0 HHAARO Cc1cccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)c1C ZINC000011697986 132349960 /nfs/dbraw/zinc/34/99/60/132349960.db2.gz PPDNLLBYRXQCLS-UHFFFAOYSA-N 1 0 403.490 3.586 50 0 HHAARO Cc1cnc(C[NH2+]C2CCN(c3ccc(NC(=O)c4ccccc4F)cc3)CC2)cn1 ZINC000011980421 132352802 /nfs/dbraw/zinc/35/28/02/132352802.db2.gz KVSQTORXHYSCGX-UHFFFAOYSA-N 1 0 419.504 3.935 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 ZINC000032863236 520749342 /nfs/dbraw/zinc/74/93/42/520749342.db2.gz JLUYWKANTUMZQF-UHFFFAOYSA-N 1 0 408.546 3.876 50 0 HHAARO CCOc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4[NH2+]CCO)no2)cc1OCC ZINC000044018870 520812451 /nfs/dbraw/zinc/81/24/51/520812451.db2.gz NUIKTBLZSPQGCP-IBGZPJMESA-N 1 0 409.486 3.770 50 0 in-vitro HHAARO CC[NH+](CC)[C@@H](CNC(=O)CN1C(=S)N=NC1c1cccc(C)c1)c1ccccc1 ZINC000032902454 520831277 /nfs/dbraw/zinc/83/12/77/520831277.db2.gz SPCVVRGCNSONEW-FQEVSTJZSA-N 1 0 423.586 3.742 50 0 HHAARO CCC(=O)Nc1nc2ccc(CC(=O)NCC[N@H+](C)C3CCCCC3)cc2s1 ZINC000032959689 521229572 /nfs/dbraw/zinc/22/95/72/521229572.db2.gz NKSSWUJKNJZBCA-UHFFFAOYSA-N 1 0 402.564 3.568 50 0 HHAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020601268 521483853 /nfs/dbraw/zinc/48/38/53/521483853.db2.gz FMCQCQCOAYGEEY-QHCPKHFHSA-N 1 0 405.542 3.702 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(NC(=O)c3ccco3)s2)CC1 ZINC000032898771 521700074 /nfs/dbraw/zinc/70/00/74/521700074.db2.gz GOYIGMFHLPQUKG-UHFFFAOYSA-N 1 0 424.526 3.988 50 0 HHAARO COC(=O)c1sccc1NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000032858066 522445089 /nfs/dbraw/zinc/44/50/89/522445089.db2.gz DUWJNBNDZCSJAF-UHFFFAOYSA-N 1 0 416.499 3.647 50 0 HHAARO C[N@H+](CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O)C1CCCCC1 ZINC000020489813 522756958 /nfs/dbraw/zinc/75/69/58/522756958.db2.gz HQUUJOMOAVZUTC-UHFFFAOYSA-N 1 0 422.573 3.805 50 0 HHAARO COCCCOc1cc(C(=O)N(C(C)C)[C@@H]2CCC[NH2+]C2)nc2c(F)cc(C)cc12 ZINC000043201030 523409542 /nfs/dbraw/zinc/40/95/42/523409542.db2.gz QSKFJIQNNLJOQC-QGZVFWFLSA-N 1 0 417.525 3.700 50 0 HHAARO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)COc1ccc3c(c1)CCC3)c1ccccc1O2 ZINC000032676318 523786576 /nfs/dbraw/zinc/78/65/76/523786576.db2.gz ZUMIIFIAQAXMKW-JOCHJYFZSA-N 1 0 406.526 3.659 50 0 HHAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 ZINC000032951998 524221688 /nfs/dbraw/zinc/22/16/88/524221688.db2.gz YHYNMGRBNHULNN-CYBMUJFWSA-N 1 0 421.426 3.643 50 0 HHAARO Cc1cccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000045966957 524381877 /nfs/dbraw/zinc/38/18/77/524381877.db2.gz TZFVZCXBPUTEHD-UHFFFAOYSA-N 1 0 421.585 3.757 50 0 HHAARO Cc1cc(C)n(-c2ccccc2NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c2ccccc2)n1 ZINC000040104872 524495854 /nfs/dbraw/zinc/49/58/54/524495854.db2.gz XLOLJMYOTNIWER-NZQKXSOJSA-N 1 0 421.545 3.522 50 0 HHAARO COc1ccccc1N1CCC([NH2+][C@@H]2CCCN(C3Cc4ccccc4C3)C2)CC1 ZINC000032519369 524538547 /nfs/dbraw/zinc/53/85/47/524538547.db2.gz YKVMSDJUOVIAKO-HSZRJFAPSA-N 1 0 405.586 3.885 50 0 HHAARO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@H](C[NH+](C)C)[C@H](O)c1ccccc1 ZINC000043494840 525062395 /nfs/dbraw/zinc/06/23/95/525062395.db2.gz UJROFVZGGBHNRR-NFBKMPQASA-N 1 0 410.562 3.628 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000045757124 525137250 /nfs/dbraw/zinc/13/72/50/525137250.db2.gz GGJNEUCKACSDBG-OAQYLSRUSA-N 1 0 406.574 3.785 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000045757122 525137359 /nfs/dbraw/zinc/13/73/59/525137359.db2.gz GGJNEUCKACSDBG-NRFANRHFSA-N 1 0 406.574 3.785 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2sc3ncc(C(C)=O)cc3c2C)[NH+](C)C)cc1 ZINC000032680850 525187798 /nfs/dbraw/zinc/18/77/98/525187798.db2.gz SVDKYMPLNLZIAR-LJQANCHMSA-N 1 0 411.527 3.849 50 0 HHAARO COc1ccc([C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000040160726 525360623 /nfs/dbraw/zinc/36/06/23/525360623.db2.gz FWCOYFNNVFSUMQ-UCGXPXSYSA-N 1 0 424.585 3.877 50 0 HHAARO COc1ccc([C@H](CNc2ccc3nnc(C(F)(F)F)n3n2)[NH+]2CCCCC2)cc1 ZINC000032869498 525361485 /nfs/dbraw/zinc/36/14/85/525361485.db2.gz SFHZAPFRBAXOJC-INIZCTEOSA-N 1 0 420.439 3.791 50 0 HHAARO O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020559375 526887436 /nfs/dbraw/zinc/88/74/36/526887436.db2.gz WULHQILPXVQLOC-UHFFFAOYSA-N 1 0 421.520 3.893 50 0 HHAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2cccc(OC)c2)C1=O ZINC000002235907 535507703 /nfs/dbraw/zinc/50/77/03/535507703.db2.gz BIJGIRUZJJPLTB-OQKWZONESA-N 1 0 407.514 3.545 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1)c1ccccc1 ZINC000010080460 535655310 /nfs/dbraw/zinc/65/53/10/535655310.db2.gz BGOJSBZLCGWBAF-DEOSSOPVSA-N 1 0 422.573 3.804 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000012205297 536574315 /nfs/dbraw/zinc/57/43/15/536574315.db2.gz BWJPGUVGPKFKIA-CQSZACIVSA-N 1 0 403.914 3.665 50 0 HHAARO COc1ccc2cc(C[NH2+]Cc3ccc(F)cc3)c(N3CCC[C@@H](CO)C3)nc2c1 ZINC000012078952 537034959 /nfs/dbraw/zinc/03/49/59/537034959.db2.gz FNOMRGISVIHHTH-GOSISDBHSA-N 1 0 409.505 3.881 50 0 HHAARO NC(=O)c1ccc(C[NH+]2CCC3(C[C@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000071890566 557317314 /nfs/dbraw/zinc/31/73/14/557317314.db2.gz IZPSFCHXANGACM-IBGZPJMESA-N 1 0 406.461 3.744 50 0 HHAARO C[NH+](C)CCCNc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O ZINC000002183688 557323524 /nfs/dbraw/zinc/32/35/24/557323524.db2.gz SKZMLLOZZWNWCK-UHFFFAOYSA-N 1 0 408.571 3.948 50 0 HHAARO CCOC(=O)c1c(NC(=O)C[NH2+]CCc2ccccc2)sc2c1CC(C)(C)OC2 ZINC000002270897 557333247 /nfs/dbraw/zinc/33/32/47/557333247.db2.gz ABRYYASXTMISDW-UHFFFAOYSA-N 1 0 416.543 3.547 50 0 HHAARO CCOC(=O)CCCCCC(=O)c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000002515762 557354015 /nfs/dbraw/zinc/35/40/15/557354015.db2.gz YNNJVIUFLWQGEC-UHFFFAOYSA-N 1 0 403.519 3.722 50 0 HHAARO COc1ccc([C@H]2CCc3nc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)cn3C2)cc1 ZINC000034898774 557480796 /nfs/dbraw/zinc/48/07/96/557480796.db2.gz ZDMZLNXQHOJNDR-ICSRJNTNSA-N 1 0 410.562 3.616 50 0 HHAARO O=C(c1cccc(Cl)c1)N1CCC([NH+]2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000034912202 557486793 /nfs/dbraw/zinc/48/67/93/557486793.db2.gz OLQATGGXNUDPHP-UHFFFAOYSA-N 1 0 417.981 3.669 50 0 HHAARO O=C(C1CC[NH+](Cc2ccccc2Cl)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000004725546 557587194 /nfs/dbraw/zinc/58/71/94/557587194.db2.gz DWDRIOMWIJNAQV-UHFFFAOYSA-N 1 0 411.977 3.896 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000004746284 557591958 /nfs/dbraw/zinc/59/19/58/557591958.db2.gz ZKIVYOQDMOYHQB-NRFANRHFSA-N 1 0 424.541 3.509 50 0 HHAARO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OCc1cccnc1 ZINC000004942942 557615397 /nfs/dbraw/zinc/61/53/97/557615397.db2.gz CIQWPSUGWIIBGU-INIZCTEOSA-N 1 0 407.308 3.700 50 0 HHAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(Br)cc1Cl ZINC000097577437 557827082 /nfs/dbraw/zinc/82/70/82/557827082.db2.gz FJZPCULLZYQBMY-ZDUSSCGKSA-N 1 0 404.736 3.677 50 0 HHAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C)CC1 ZINC000022822160 557832925 /nfs/dbraw/zinc/83/29/25/557832925.db2.gz DPFREBAXTBDWSA-UHFFFAOYSA-N 1 0 411.937 3.617 50 0 HHAARO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](C4CSCCSC4)C3)CC2)c1 ZINC000019744871 558265492 /nfs/dbraw/zinc/26/54/92/558265492.db2.gz QUWFDOYOAFRWSE-LJQANCHMSA-N 1 0 412.068 3.775 50 0 HHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000011719713 558271927 /nfs/dbraw/zinc/27/19/27/558271927.db2.gz RUNLLPALOFGWTQ-FQEVSTJZSA-N 1 0 413.537 3.548 50 0 HHAARO Cc1nnc(SCC(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)s1 ZINC000011765314 558273830 /nfs/dbraw/zinc/27/38/30/558273830.db2.gz LZBYIISPHJFZRC-GOSISDBHSA-N 1 0 418.632 3.660 50 0 HHAARO COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)CC1 ZINC000011767776 558274083 /nfs/dbraw/zinc/27/40/83/558274083.db2.gz DFRTXPMCBDSTLR-UHFFFAOYSA-N 1 0 419.481 3.653 50 0 HHAARO CC[C@@H]1C[N@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccc(Cl)cc2O1 ZINC000011786755 558276141 /nfs/dbraw/zinc/27/61/41/558276141.db2.gz FACYANXFTBYNML-LJQANCHMSA-N 1 0 417.937 3.683 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccc(F)cc1Cl ZINC000011786662 558276239 /nfs/dbraw/zinc/27/62/39/558276239.db2.gz VSGURLKEPPHHPI-SFHVURJKSA-N 1 0 417.912 3.818 50 0 HHAARO COCC(=O)NC[C@H]1CCC2(CC[NH+](Cc3cccc(-c4ccccc4C)c3)CC2)O1 ZINC000011814380 558278759 /nfs/dbraw/zinc/27/87/59/558278759.db2.gz JDNUYZWOAJJNJN-HSZRJFAPSA-N 1 0 422.569 3.938 50 0 HHAARO CN(C(=O)CC1=CSC2=NCCCN12)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011844150 558288967 /nfs/dbraw/zinc/28/89/67/558288967.db2.gz OYZKSWRYDBSIRJ-HXUWFJFHSA-N 1 0 412.603 3.582 50 0 HHAARO O=C(CCCn1cncn1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000011873868 558291532 /nfs/dbraw/zinc/29/15/32/558291532.db2.gz CCKZMARVMQPKHF-JOCHJYFZSA-N 1 0 424.593 3.527 50 0 HHAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1)NCCCn1cccn1 ZINC000019850654 558295364 /nfs/dbraw/zinc/29/53/64/558295364.db2.gz HBUSOKPCXOUCMY-HSZRJFAPSA-N 1 0 422.504 3.555 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1ccc2[nH]ccc2c1 ZINC000011912349 558297155 /nfs/dbraw/zinc/29/71/55/558297155.db2.gz VLIRSOVTOXLEPG-NRFANRHFSA-N 1 0 404.514 3.507 50 0 HHAARO Cc1c[nH]c(CNC(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)n1 ZINC000011935206 558299238 /nfs/dbraw/zinc/29/92/38/558299238.db2.gz HIRXOQSTLGSXER-UHFFFAOYSA-N 1 0 418.541 3.734 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)CCC1CCOCC1 ZINC000011935493 558299425 /nfs/dbraw/zinc/29/94/25/558299425.db2.gz UCBACVRKBRFSDX-UHFFFAOYSA-N 1 0 412.578 3.907 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2ccnc2C)c(F)c1 ZINC000011936281 558300247 /nfs/dbraw/zinc/30/02/47/558300247.db2.gz RPDWHRDQGVEFEB-UHFFFAOYSA-N 1 0 405.477 3.982 50 0 HHAARO O=C(COc1ccc(Br)cc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000019889320 558302514 /nfs/dbraw/zinc/30/25/14/558302514.db2.gz ODOAUYHUPHXSPM-UHFFFAOYSA-N 1 0 417.347 3.605 50 0 HHAARO O=C1CC[N@@H+](Cc2ccc3c(c2)OCCO3)CCN1Cc1ccccc1C(F)(F)F ZINC000011966498 558304277 /nfs/dbraw/zinc/30/42/77/558304277.db2.gz XUUSLUJEJVAFQF-UHFFFAOYSA-N 1 0 420.431 3.711 50 0 HHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccccc4C)n3CC2)c1 ZINC000011980672 558306181 /nfs/dbraw/zinc/30/61/81/558306181.db2.gz JUTGIKDGHRYUHP-HXUWFJFHSA-N 1 0 417.557 3.753 50 0 HHAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](Cc4ccccc4F)CC3)O2)cs1 ZINC000011997287 558307270 /nfs/dbraw/zinc/30/72/70/558307270.db2.gz IQZXBHZNNPIATC-QGZVFWFLSA-N 1 0 403.523 3.534 50 0 HHAARO CO[C@H](C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1)c1ccccc1 ZINC000011998362 558307410 /nfs/dbraw/zinc/30/74/10/558307410.db2.gz XHUGRGRARYVJTQ-GOTSBHOMSA-N 1 0 408.542 3.704 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1sc2ncnc(NCc3ccccc3F)c2c1C ZINC000012037726 558312175 /nfs/dbraw/zinc/31/21/75/558312175.db2.gz PLNDQJNCKGCPNU-UHFFFAOYSA-N 1 0 415.538 3.823 50 0 HHAARO COc1ccccc1/C=C/C[NH+]1CCC2(C[C@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012042605 558313263 /nfs/dbraw/zinc/31/32/63/558313263.db2.gz BIFOXPDCNPMZHT-CYXJOQHWSA-N 1 0 411.571 3.926 50 0 HHAARO CCCn1ncc([C@@H]2C[C@H]3CN(Cc4cccc(OC)c4)C(=O)[C@]34CCC[N@H+]24)c1C ZINC000012072420 558317768 /nfs/dbraw/zinc/31/77/68/558317768.db2.gz XWZXRTMZEXXLRK-APTRMMRNSA-N 1 0 408.546 3.548 50 0 HHAARO O=c1c(C[N@H+]2CCC[C@H]2CO)cc2ccc(F)cc2n1CCSc1ccccc1 ZINC000012125502 558331370 /nfs/dbraw/zinc/33/13/70/558331370.db2.gz BMNPTUQROQOBNP-FQEVSTJZSA-N 1 0 412.530 3.890 50 0 HHAARO COc1ccc(-c2n[nH]cc2CN2CCC[N@H+](Cc3cccs3)CC2)c(F)c1 ZINC000020149178 558340118 /nfs/dbraw/zinc/34/01/18/558340118.db2.gz YPJAFMPBLWYVQB-UHFFFAOYSA-N 1 0 400.523 3.994 50 0 HHAARO CO[C@@H]1CCCN(C(=O)c2cc(C)ccc2OC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012197208 558350289 /nfs/dbraw/zinc/35/02/89/558350289.db2.gz FYGKEPONFGFFSV-JOCHJYFZSA-N 1 0 423.557 3.684 50 0 HHAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000012201263 558351500 /nfs/dbraw/zinc/35/15/00/558351500.db2.gz JJVGDQNHFADZMV-MRXNPFEDSA-N 1 0 401.536 3.678 50 0 HHAARO O=C1CC[N@@H+](Cc2cccn2-c2ccc(Cl)cn2)CCN1Cc1ccccc1F ZINC000012218372 558354558 /nfs/dbraw/zinc/35/45/58/558354558.db2.gz LQUDLSOLEJRTLW-UHFFFAOYSA-N 1 0 412.896 3.899 50 0 HHAARO CCc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020455792 558369515 /nfs/dbraw/zinc/36/95/15/558369515.db2.gz QNDHJIOGOFHUCT-HSZRJFAPSA-N 1 0 420.601 3.985 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1 ZINC000012328952 558383828 /nfs/dbraw/zinc/38/38/28/558383828.db2.gz RDMHMDLRWCPLAB-KRWDZBQOSA-N 1 0 404.869 3.879 50 0 HHAARO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012429892 558404756 /nfs/dbraw/zinc/40/47/56/558404756.db2.gz RIYDVGMUGZCAFR-FQEVSTJZSA-N 1 0 409.555 3.566 50 0 HHAARO CC(=O)Nc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000012431990 558406404 /nfs/dbraw/zinc/40/64/04/558406404.db2.gz AQTPMDKUARGKSZ-VWLOTQADSA-N 1 0 405.542 3.816 50 0 HHAARO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)c1 ZINC000012439064 558410512 /nfs/dbraw/zinc/41/05/12/558410512.db2.gz LUABUYQQMQJSSN-MEDHRJKHSA-N 1 0 412.505 3.998 50 0 HHAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012458069 558417994 /nfs/dbraw/zinc/41/79/94/558417994.db2.gz AXYPDWMLKORYNS-KRWDZBQOSA-N 1 0 403.906 3.815 50 0 HHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)c(OC)c1 ZINC000012463866 558419986 /nfs/dbraw/zinc/41/99/86/558419986.db2.gz OOKIZARCQIWRJY-SFHVURJKSA-N 1 0 412.530 3.718 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc(OC)c1 ZINC000020906228 558420920 /nfs/dbraw/zinc/42/09/20/558420920.db2.gz XOBPOBDLJMITKE-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+]([C@H](C)CC(F)(F)F)CC2)c1 ZINC000012474092 558422389 /nfs/dbraw/zinc/42/23/89/558422389.db2.gz OQGKHHODGGHRPA-CYBMUJFWSA-N 1 0 400.441 3.772 50 0 HHAARO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cccc3nonc32)CC1 ZINC000012571145 558429005 /nfs/dbraw/zinc/42/90/05/558429005.db2.gz XATFIYYJCVLRFH-UHFFFAOYSA-N 1 0 409.486 3.837 50 0 HHAARO O=C(NC[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)c1cccc(C(F)(F)F)c1 ZINC000012594516 558437184 /nfs/dbraw/zinc/43/71/84/558437184.db2.gz YUXXKZDJCVKSPZ-OAHLLOKOSA-N 1 0 418.419 3.884 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000012718894 558456228 /nfs/dbraw/zinc/45/62/28/558456228.db2.gz NLJPQFIPVGDPOA-QGZVFWFLSA-N 1 0 414.527 3.632 50 0 HHAARO O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021961767 558456666 /nfs/dbraw/zinc/45/66/66/558456666.db2.gz DYQYHXCNNFNEQT-UHFFFAOYSA-N 1 0 404.514 3.972 50 0 HHAARO C[C@@H]([NH2+]CC(=O)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995939 558498600 /nfs/dbraw/zinc/49/86/00/558498600.db2.gz HSGYQRONQBZKBM-WZONZLPQSA-N 1 0 422.550 3.711 50 0 HHAARO COc1cc(/C=C/CN2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1O ZINC000022579072 558499885 /nfs/dbraw/zinc/49/98/85/558499885.db2.gz GEZAYMMFDBXVMS-VMPITWQZSA-N 1 0 417.347 3.994 50 0 HHAARO Fc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3nccnc32)cc1 ZINC000013010640 558503016 /nfs/dbraw/zinc/50/30/16/558503016.db2.gz DTXNVWLGPFWIQV-UHFFFAOYSA-N 1 0 415.476 3.625 50 0 HHAARO C[C@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803567 558513563 /nfs/dbraw/zinc/51/35/63/558513563.db2.gz BJHHCXNKQJUYMI-LJQANCHMSA-N 1 0 407.583 3.766 50 0 HHAARO CCOc1cc2c(cc1C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1)O[C@H](C)C2 ZINC000022804523 558513829 /nfs/dbraw/zinc/51/38/29/558513829.db2.gz DORQMBXFLIFGAS-AUSIDOKSSA-N 1 0 410.558 3.880 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(C/C=C/c3ccc(OC)cc3)C[C@@H]2CCO)cc1 ZINC000022913448 558520625 /nfs/dbraw/zinc/52/06/25/558520625.db2.gz MBXADFLSFSJJOZ-OIUIXCLQSA-N 1 0 410.558 3.676 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916444 558521669 /nfs/dbraw/zinc/52/16/69/558521669.db2.gz HSRVNDVTGWXJCD-KRWDZBQOSA-N 1 0 401.938 3.536 50 0 HHAARO C[NH+]1CCN(CC[C@@H]2CCCCN2C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000022935459 558526497 /nfs/dbraw/zinc/52/64/97/558526497.db2.gz ZXLZRVCDAJTTRE-SFHVURJKSA-N 1 0 414.541 3.894 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)CC1 ZINC000013595467 558546814 /nfs/dbraw/zinc/54/68/14/558546814.db2.gz GWXQBVBGOBNEOW-IBGZPJMESA-N 1 0 402.535 3.989 50 0 HHAARO COc1ccccc1CCNc1nc(CN2CC[NH+](C(C)C)CC2)nc2ccccc21 ZINC000023338977 558550350 /nfs/dbraw/zinc/55/03/50/558550350.db2.gz QQJBVHRWAMHUIE-UHFFFAOYSA-N 1 0 419.573 3.819 50 0 HHAARO C(=C/c1ccccc1)\C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023374655 558554202 /nfs/dbraw/zinc/55/42/02/558554202.db2.gz JIGSNCQNCGVDRW-CZDPRXMLSA-N 1 0 419.569 3.711 50 0 HHAARO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3ccc(F)cc3OC)C2)cc1OC ZINC000023375308 558554931 /nfs/dbraw/zinc/55/49/31/558554931.db2.gz MXZHMJXBRQHIJN-OAQYLSRUSA-N 1 0 416.537 3.990 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000013945470 558606974 /nfs/dbraw/zinc/60/69/74/558606974.db2.gz IXJCLNGFIXZQKV-UHFFFAOYSA-N 1 0 424.357 3.978 50 0 HHAARO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969246 558620346 /nfs/dbraw/zinc/62/03/46/558620346.db2.gz DOTRFBSLADDJJL-QGZVFWFLSA-N 1 0 400.544 3.567 50 0 HHAARO CCc1ccc([C@@H]([NH2+]CC(=O)NCC(=O)Nc2cc(C)ccc2OC)C(C)C)cc1 ZINC000014167830 558626981 /nfs/dbraw/zinc/62/69/81/558626981.db2.gz NUIVMNOPKNFGCR-DEOSSOPVSA-N 1 0 411.546 3.608 50 0 HHAARO CSc1ccc(N2C[C@H](C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2=O)cc1 ZINC000025287790 558636724 /nfs/dbraw/zinc/63/67/24/558636724.db2.gz NBIGYDWDHMZCJE-DENIHFKCSA-N 1 0 423.582 3.715 50 0 HHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000025331696 558638612 /nfs/dbraw/zinc/63/86/12/558638612.db2.gz PUBCMBYZBZXZTQ-OAQYLSRUSA-N 1 0 421.570 3.913 50 0 HHAARO C[C@H]1Sc2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2NC1=O ZINC000014226675 558638820 /nfs/dbraw/zinc/63/88/20/558638820.db2.gz WWXBMDSNJLUCQZ-CZUORRHYSA-N 1 0 401.557 3.748 50 0 HHAARO COc1ccc([C@@H](CNC(=O)Cc2ccc(NC(C)=O)cc2)[NH+]2CCCCC2)cc1 ZINC000014233361 558640448 /nfs/dbraw/zinc/64/04/48/558640448.db2.gz QJQLRDKUJRFDAT-HSZRJFAPSA-N 1 0 409.530 3.540 50 0 HHAARO C[C@@H](CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000026173123 558656771 /nfs/dbraw/zinc/65/67/71/558656771.db2.gz WYTWCMWAKPFZQN-ROUUACIJSA-N 1 0 420.557 3.842 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C ZINC000014539303 558659267 /nfs/dbraw/zinc/65/92/67/558659267.db2.gz OVEMZPZLQDKVKL-LJQANCHMSA-N 1 0 400.567 3.568 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCCc1ccncc1)C(=O)N2CCC(C)C ZINC000014541115 558659974 /nfs/dbraw/zinc/65/99/74/558659974.db2.gz YGDLGABTKGVDOA-FQEVSTJZSA-N 1 0 414.594 3.958 50 0 HHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1ccccn1)CC2 ZINC000014542884 558660541 /nfs/dbraw/zinc/66/05/41/558660541.db2.gz RJLBMGVIHFISSS-UHFFFAOYSA-N 1 0 414.509 3.664 50 0 HHAARO CCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000022936112 558666537 /nfs/dbraw/zinc/66/65/37/558666537.db2.gz NGGUZLZJIIENPS-UHFFFAOYSA-N 1 0 411.937 3.709 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1Cl)C2 ZINC000014740950 558666878 /nfs/dbraw/zinc/66/68/78/558666878.db2.gz WVHGKABSSPSKBX-QGZVFWFLSA-N 1 0 400.954 3.830 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)c2ccc(OCc3noc(C)n3)cc2)[NH+](C)C)cc1 ZINC000027597765 558677105 /nfs/dbraw/zinc/67/71/05/558677105.db2.gz REPKGFWHHISLCX-OAQYLSRUSA-N 1 0 408.502 3.552 50 0 HHAARO COc1cccc(CC(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000014948364 558680257 /nfs/dbraw/zinc/68/02/57/558680257.db2.gz QYFRNLZCTXPFRS-DEOSSOPVSA-N 1 0 414.590 3.900 50 0 HHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](CCCSC)CC1)c1ccccc1 ZINC000014970948 558687349 /nfs/dbraw/zinc/68/73/49/558687349.db2.gz HBNROBDMIYBIGE-HXUWFJFHSA-N 1 0 402.564 3.599 50 0 HHAARO O=c1c(C[NH2+]CCn2ccnc2)cc2ccc(F)cc2n1Cc1ccccc1Cl ZINC000014982433 558692141 /nfs/dbraw/zinc/69/21/41/558692141.db2.gz ISPMLJFKURQDDE-UHFFFAOYSA-N 1 0 410.880 3.829 50 0 HHAARO CCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)n1 ZINC000028289368 558696065 /nfs/dbraw/zinc/69/60/65/558696065.db2.gz VTBZHPAPPIGMOS-KRWDZBQOSA-N 1 0 420.966 3.818 50 0 HHAARO Cc1cc(C[NH2+][C@@H]2CCc3c(sc4ncn(CCc5ccccc5)c(=O)c34)C2)on1 ZINC000014998350 558696877 /nfs/dbraw/zinc/69/68/77/558696877.db2.gz GRVSHRHBDCZMCJ-QGZVFWFLSA-N 1 0 420.538 3.644 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3)CCCCC2)CC1 ZINC000028403139 558699985 /nfs/dbraw/zinc/69/99/85/558699985.db2.gz NCWOIKSLCQTSER-OAQYLSRUSA-N 1 0 401.595 3.527 50 0 HHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@H](C)CCSC)CC2)c1 ZINC000015063112 558705580 /nfs/dbraw/zinc/70/55/80/558705580.db2.gz OHOXUWAWULAMTD-QGZVFWFLSA-N 1 0 406.592 3.916 50 0 HHAARO CCOC(=O)N[C@H](C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1)C1CC1 ZINC000072289905 558724338 /nfs/dbraw/zinc/72/43/38/558724338.db2.gz PZJHNJOQXNLSSH-OAQYLSRUSA-N 1 0 411.502 3.562 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[N@H+]2[C@H](C)CCC[C@@H]2C)c2ccccc21 ZINC000004564062 558733565 /nfs/dbraw/zinc/73/35/65/558733565.db2.gz GHACAOSFFQCUQY-HDICACEKSA-N 1 0 415.603 3.883 50 0 HHAARO Brc1cc(C[NH2+]CCc2ccc(-n3cccn3)cc2)cc2c1OCO2 ZINC000030655665 558735139 /nfs/dbraw/zinc/73/51/39/558735139.db2.gz FTFWYSGDPPAXSR-UHFFFAOYSA-N 1 0 400.276 3.696 50 0 HHAARO CCOc1ccc(Cl)cc1C[NH2+]CCCSc1nnnn1-c1ccccc1 ZINC000016692350 558800213 /nfs/dbraw/zinc/80/02/13/558800213.db2.gz QISKBPRJJQHTFS-UHFFFAOYSA-N 1 0 403.939 3.986 50 0 HHAARO COc1ccc(OCC[NH2+][C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016695402 558801029 /nfs/dbraw/zinc/80/10/29/558801029.db2.gz YKQDXDXZGHUCQR-LJQANCHMSA-N 1 0 404.510 3.958 50 0 HHAARO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cn(CC(N)=O)c4ccccc34)C2)cc1 ZINC000019147128 558846788 /nfs/dbraw/zinc/84/67/88/558846788.db2.gz DDXUCNKGWNDEKK-GOSISDBHSA-N 1 0 421.566 3.943 50 0 HHAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C[C@H]1CCCO1 ZINC000013660099 558851415 /nfs/dbraw/zinc/85/14/15/558851415.db2.gz FOFDCQHEZOTDFJ-HMXCVIKNSA-N 1 0 400.906 3.580 50 0 HHAARO Cc1ccc2[nH]c(N3CCC(C(=O)NCCC[N@@H+](C)Cc4ccccc4)CC3)nc2c1 ZINC000033070796 558866154 /nfs/dbraw/zinc/86/61/54/558866154.db2.gz SZVQCGODXSFGOJ-UHFFFAOYSA-N 1 0 419.573 3.726 50 0 HHAARO Cc1c(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000055090102 558871947 /nfs/dbraw/zinc/87/19/47/558871947.db2.gz IADGHCZGELKRJR-UHFFFAOYSA-N 1 0 405.477 3.646 50 0 HHAARO COc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1C ZINC000055325890 558879123 /nfs/dbraw/zinc/87/91/23/558879123.db2.gz JKOGNOBPWWQKOR-JOCHJYFZSA-N 1 0 407.558 3.739 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000046388352 558891423 /nfs/dbraw/zinc/89/14/23/558891423.db2.gz KBXATALWVVWXFZ-FQEVSTJZSA-N 1 0 405.464 3.814 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCO[C@H]3CCCC[C@@H]3C)cc2C)CC1 ZINC000058109339 558899359 /nfs/dbraw/zinc/89/93/59/558899359.db2.gz NJFJDDUSOHOYLO-AVRDEDQJSA-N 1 0 402.583 3.854 50 0 HHAARO O=S(=O)(c1ccccc1F)N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058158609 558903852 /nfs/dbraw/zinc/90/38/52/558903852.db2.gz BFVNUDSALSSJKX-CTNGQTDRSA-N 1 0 402.535 3.891 50 0 HHAARO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1I ZINC000058160711 558905366 /nfs/dbraw/zinc/90/53/66/558905366.db2.gz ZVHABDXESJHHNY-GFCCVEGCSA-N 1 0 410.255 3.589 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000058393311 558923664 /nfs/dbraw/zinc/92/36/64/558923664.db2.gz DHQLNXCWKXDFCQ-QFIPXVFZSA-N 1 0 417.569 3.551 50 0 HHAARO O=C1c2cccc(N3CC[NH+](Cc4ccccc4)CC3)c2C(=O)N1Cc1ccsc1 ZINC000064093176 558962134 /nfs/dbraw/zinc/96/21/34/558962134.db2.gz PJLKFAXQXZRCSO-UHFFFAOYSA-N 1 0 417.534 3.867 50 0 HHAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067673274 558991084 /nfs/dbraw/zinc/99/10/84/558991084.db2.gz KEMOEUZWPIVOPM-LJQANCHMSA-N 1 0 400.906 3.918 50 0 HHAARO O[C@@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023115042 559012600 /nfs/dbraw/zinc/01/26/00/559012600.db2.gz RJWQTVREXYCKFM-XLNBUVHKSA-N 1 0 402.554 3.542 50 0 HHAARO CCOc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127653 559016030 /nfs/dbraw/zinc/01/60/30/559016030.db2.gz UGRRPQMCFKJKOR-UHFFFAOYSA-N 1 0 402.560 3.584 50 0 HHAARO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1 ZINC000023133022 559017964 /nfs/dbraw/zinc/01/79/64/559017964.db2.gz NSOWXLZHTHTYJX-NRFANRHFSA-N 1 0 413.543 3.894 50 0 HHAARO O=C(NC1CCCCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083854 559036595 /nfs/dbraw/zinc/03/65/95/559036595.db2.gz ZCLNJGMGKIGSLU-JOCHJYFZSA-N 1 0 412.622 3.987 50 0 HHAARO CN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCCC1 ZINC000082092942 559037304 /nfs/dbraw/zinc/03/73/04/559037304.db2.gz ROHNCMGJKZNKHB-QFIPXVFZSA-N 1 0 412.622 3.939 50 0 HHAARO CC(C)C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082108348 559038628 /nfs/dbraw/zinc/03/86/28/559038628.db2.gz OREGTQIBNICXQW-QHCPKHFHSA-N 1 0 412.622 3.653 50 0 HHAARO CC(C)C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082108600 559038696 /nfs/dbraw/zinc/03/86/96/559038696.db2.gz XIURZMWYKOPQMS-QHCPKHFHSA-N 1 0 412.622 3.653 50 0 HHAARO O=C(CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000095347283 559079587 /nfs/dbraw/zinc/07/95/87/559079587.db2.gz GJTHOXFOOJTJGT-NRFANRHFSA-N 1 0 401.510 3.807 50 0 HHAARO COc1cccc(CN2CC3(CC2=O)CC[NH+](C[C@@H]2CCOC(C)(C)C2)CC3)c1 ZINC000095523145 559085629 /nfs/dbraw/zinc/08/56/29/559085629.db2.gz LQRBKGHHLAKVIX-HXUWFJFHSA-N 1 0 400.563 3.715 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000011561138 559101215 /nfs/dbraw/zinc/10/12/15/559101215.db2.gz BPLYRILTSVXKNI-KRWDZBQOSA-N 1 0 423.492 3.582 50 0 HHAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[N@H+](C)[C@@H](CCO)C2)cc1 ZINC000106991101 559164186 /nfs/dbraw/zinc/16/41/86/559164186.db2.gz BRYLWTLKSMIBHH-QFIPXVFZSA-N 1 0 405.542 3.717 50 0 HHAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccncc3)=NN12 ZINC000005093242 559244140 /nfs/dbraw/zinc/24/41/40/559244140.db2.gz RMKUEKOZFGENHR-GOSISDBHSA-N 1 0 413.319 3.810 50 0 HHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000248112070 559263431 /nfs/dbraw/zinc/26/34/31/559263431.db2.gz RDWLWYOLVMITEH-UPJWGTAASA-N 1 0 407.399 3.537 50 0 HHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000248115873 559264124 /nfs/dbraw/zinc/26/41/24/559264124.db2.gz SHTFPMVMGLVGSN-GUTXKFCHSA-N 1 0 419.360 3.614 50 0 HHAARO O=C(CCC1CCN(C(=O)C2=CCCC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012002813 559270776 /nfs/dbraw/zinc/27/07/76/559270776.db2.gz VAXIVGWIPSMWAR-HSZRJFAPSA-N 1 0 409.574 3.506 50 0 HHAARO CCc1cnc(C)nc1N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000426435475 559271430 /nfs/dbraw/zinc/27/14/30/559271430.db2.gz ZBODEBHSYDVENZ-XMMPIXPASA-N 1 0 410.562 3.857 50 0 HHAARO CCc1cnc(C)nc1N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1OC)C2 ZINC000426435474 559271453 /nfs/dbraw/zinc/27/14/53/559271453.db2.gz ZBODEBHSYDVENZ-DEOSSOPVSA-N 1 0 410.562 3.857 50 0 HHAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]12CC[N@H+](CCOc1ccccc1)C2 ZINC000426538642 559274612 /nfs/dbraw/zinc/27/46/12/559274612.db2.gz ULHOSFHAYIAXFC-HSZRJFAPSA-N 1 0 400.469 3.858 50 0 HHAARO O=S(=O)(c1ccc(SCc2cn3ccccc3n2)nc1)N1CCCCCC1 ZINC000005165447 559279385 /nfs/dbraw/zinc/27/93/85/559279385.db2.gz SKSOEEZCLTYWNM-UHFFFAOYSA-N 1 0 402.545 3.586 50 0 HHAARO CCC[NH2+]CCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002008038 560185423 /nfs/dbraw/zinc/18/54/23/560185423.db2.gz JGGQWSXZZQPZTR-UHFFFAOYSA-N 1 0 402.438 3.928 50 0 in-vitro HHAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000015953598 560650448 /nfs/dbraw/zinc/65/04/48/560650448.db2.gz QIDPWIKJFMARTD-FGCOXFRFSA-N 1 0 400.563 3.766 50 0 biogenic HHAARO O=C1NC2(CC[NH+](Cc3ccccc3F)CC2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000011694016 560773836 /nfs/dbraw/zinc/77/38/36/560773836.db2.gz HEYLVWQPHCBXIX-UHFFFAOYSA-N 1 0 401.869 3.566 50 0 HHAARO CCc1nc(C)c([C@@H](C)N(C)CC(=O)NC[C@H](c2ccco2)[NH+](CC)CC)s1 ZINC000107501924 560896491 /nfs/dbraw/zinc/89/64/91/560896491.db2.gz PYZLSYXOQDDPCN-IAGOWNOFSA-N 1 0 406.596 3.799 50 0 HHAARO CC(=O)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045500855 568419613 /nfs/dbraw/zinc/41/96/13/568419613.db2.gz BGLGFUBAQIHDFH-UHFFFAOYSA-N 1 0 400.906 3.702 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)NCCCC[NH+]2CCC(C)CC2)no1 ZINC000048239279 568433231 /nfs/dbraw/zinc/43/32/31/568433231.db2.gz YHZVMRHRRMXYAB-UHFFFAOYSA-N 1 0 402.564 3.912 50 0 HHAARO CC[NH+]1CCN(c2ccc(CNC(=O)c3cc4cc(Cl)ccc4nc3C)cn2)CC1 ZINC000048287796 568434702 /nfs/dbraw/zinc/43/47/02/568434702.db2.gz UAKFAXYEQOOYIE-UHFFFAOYSA-N 1 0 423.948 3.664 50 0 HHAARO CC(=O)NCc1ccc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000048310302 568436672 /nfs/dbraw/zinc/43/66/72/568436672.db2.gz XUJKECBZUNJWGL-OALUTQOASA-N 1 0 407.558 3.731 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CN(C)C(=O)c3cccs3)cc2)C1 ZINC000048311220 568436923 /nfs/dbraw/zinc/43/69/23/568436923.db2.gz GDHYMUCVQGRVMM-ROUUACIJSA-N 1 0 413.587 3.614 50 0 HHAARO CC(C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000048311364 568436982 /nfs/dbraw/zinc/43/69/82/568436982.db2.gz ITMATJVKPFZWAI-TXTKFYIRSA-N 1 0 413.606 3.675 50 0 HHAARO CC(=O)N[C@@H](CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000048325187 568438516 /nfs/dbraw/zinc/43/85/16/568438516.db2.gz FUIFTEFFDDYBPW-VXKWHMMOSA-N 1 0 413.949 3.861 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccccc2)C1 ZINC000048341689 568440413 /nfs/dbraw/zinc/44/04/13/568440413.db2.gz PXIDCMSWIVCIHZ-PMACEKPBSA-N 1 0 407.558 3.601 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)CCNC(=O)c3ccccc3)cc2)C1 ZINC000048361671 568441233 /nfs/dbraw/zinc/44/12/33/568441233.db2.gz JMWBNKFKLAKMHT-PMACEKPBSA-N 1 0 407.558 3.601 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)CSCc2coc(-c3ccccc3)n2)CC1 ZINC000048363170 568441749 /nfs/dbraw/zinc/44/17/49/568441749.db2.gz VSAQFCAXMIQEDF-UHFFFAOYSA-N 1 0 422.554 3.965 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000048368000 568442074 /nfs/dbraw/zinc/44/20/74/568442074.db2.gz LLNICSWBFMRXIC-DNQXCXABSA-N 1 0 403.526 3.904 50 0 HHAARO Cc1sc2nc(CN3CCOCC3)nc(NC[C@H](C)[NH+]3CCC(C)CC3)c2c1C ZINC000048375431 568442455 /nfs/dbraw/zinc/44/24/55/568442455.db2.gz PIYYXOUBSUQFMU-INIZCTEOSA-N 1 0 417.623 3.673 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)N4CC[NH+](C(C)C)CC4)C3)nn2)cc1C ZINC000048990553 568444307 /nfs/dbraw/zinc/44/43/07/568444307.db2.gz HEABEBKFEMRMHT-JOCHJYFZSA-N 1 0 421.589 3.529 50 0 HHAARO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012328499 568472119 /nfs/dbraw/zinc/47/21/19/568472119.db2.gz GATPCLBCTFRLKD-WMZHIEFXSA-N 1 0 411.521 3.990 50 0 HHAARO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000222089688 568514180 /nfs/dbraw/zinc/51/41/80/568514180.db2.gz GKXKHLBIZXSMRO-NNULNVEZSA-N 1 0 417.638 3.582 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCc3ccc(F)cc3)cc12 ZINC000020153731 568590872 /nfs/dbraw/zinc/59/08/72/568590872.db2.gz WYDHTZJFRZVUFZ-UHFFFAOYSA-N 1 0 423.561 3.921 50 0 HHAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000095399569 568604687 /nfs/dbraw/zinc/60/46/87/568604687.db2.gz LQDHRARTHKTZLT-QAPCUYQASA-N 1 0 407.967 3.700 50 0 HHAARO c1cc(-c2nc3ccccc3c(NC[C@H]([C@H]3CCOC3)[NH+]3CCOCC3)n2)cs1 ZINC000040051254 568613029 /nfs/dbraw/zinc/61/30/29/568613029.db2.gz GGGAUBKPRTWGFG-OXJNMPFZSA-N 1 0 410.543 3.508 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)C1 ZINC000020489801 568614274 /nfs/dbraw/zinc/61/42/74/568614274.db2.gz YJDPFOYJPZAHKU-PMACEKPBSA-N 1 0 422.573 3.519 50 0 HHAARO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(NC(=O)COC)cc2)CC1)CC(C)C ZINC000095459674 568619714 /nfs/dbraw/zinc/61/97/14/568619714.db2.gz QQCZXTPBMMMDDW-UHFFFAOYSA-N 1 0 418.582 3.883 50 0 HHAARO CCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](Cc3ccccc3)CC1)n2CC ZINC000020678091 568640076 /nfs/dbraw/zinc/64/00/76/568640076.db2.gz WDCKHGGKNZRERB-UHFFFAOYSA-N 1 0 405.546 3.723 50 0 HHAARO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000020735372 568641240 /nfs/dbraw/zinc/64/12/40/568641240.db2.gz FNIHLGZDZGVADG-UMURBWECSA-N 1 0 417.619 3.687 50 0 HHAARO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000020735376 568641254 /nfs/dbraw/zinc/64/12/54/568641254.db2.gz FNIHLGZDZGVADG-DBHZWCICSA-N 1 0 417.619 3.687 50 0 HHAARO O[C@H](COc1ccccc1F)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000095863094 568655276 /nfs/dbraw/zinc/65/52/76/568655276.db2.gz XJIBMMURJVSHGC-QHCPKHFHSA-N 1 0 420.528 3.973 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NCc2cnc3c(cnn3C(C)C)c2)cc1 ZINC000225642228 568659479 /nfs/dbraw/zinc/65/94/79/568659479.db2.gz OQCWAKKYRTVZSV-UHFFFAOYSA-N 1 0 408.550 3.696 50 0 HHAARO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000095945487 568663561 /nfs/dbraw/zinc/66/35/61/568663561.db2.gz LRLNJGQVVROVCN-HZPDHXFCSA-N 1 0 409.958 3.838 50 0 HHAARO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)cc1OC ZINC000095979801 568675141 /nfs/dbraw/zinc/67/51/41/568675141.db2.gz UUJDJGLWVXALJA-ZWKOTPCHSA-N 1 0 408.498 3.791 50 0 HHAARO CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC[NH+](C)C)CC2=O)cc1 ZINC000021172258 568676342 /nfs/dbraw/zinc/67/63/42/568676342.db2.gz CDZABRKJTXCXGA-SFHVURJKSA-N 1 0 406.530 3.907 50 0 HHAARO O=C(Cc1ccc(NC(=O)N2CCCCc3ccccc32)cc1)NCC[NH+]1CCCC1 ZINC000021538075 568712978 /nfs/dbraw/zinc/71/29/78/568712978.db2.gz KRRRLXVAZZCASU-UHFFFAOYSA-N 1 0 420.557 3.816 50 0 HHAARO COc1cccc([C@@H]2C[C@H]2C(=O)N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000229429867 568713849 /nfs/dbraw/zinc/71/38/49/568713849.db2.gz GTXXAQVDPOWIJP-ISJGIBHGSA-N 1 0 422.569 3.703 50 0 HHAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000229429854 568714023 /nfs/dbraw/zinc/71/40/23/568714023.db2.gz GTXXAQVDPOWIJP-CCDWMCETSA-N 1 0 422.569 3.703 50 0 HHAARO CCOC(=O)c1nc2ccccc2c(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)n1 ZINC000021645217 568727952 /nfs/dbraw/zinc/72/79/52/568727952.db2.gz IHBQTPVRUJQNMS-UHFFFAOYSA-N 1 0 419.529 3.688 50 0 HHAARO CCOC(=O)c1nc2onc(C)c2c(NCC2CC[NH+](Cc3ccc(C)cc3)CC2)n1 ZINC000021646282 568728090 /nfs/dbraw/zinc/72/80/90/568728090.db2.gz VKYAKJUMYZFOIM-UHFFFAOYSA-N 1 0 423.517 3.735 50 0 HHAARO CCc1cc2c(ncnc2NCCC[NH+]2CCN(c3ccccc3OC)CC2)s1 ZINC000021651671 568729482 /nfs/dbraw/zinc/72/94/82/568729482.db2.gz ZLRMOOTXBXVZAU-UHFFFAOYSA-N 1 0 411.575 3.887 50 0 HHAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000241135445 568730816 /nfs/dbraw/zinc/73/08/16/568730816.db2.gz JPJIURBMNNBYJB-IRLDBZIGSA-N 1 0 412.555 3.830 50 0 HHAARO COc1ccc(NC(=O)c2cccc3[nH]cc(C[NH+]4CCSCC4)c32)cc1OC ZINC000096363697 568739505 /nfs/dbraw/zinc/73/95/05/568739505.db2.gz IJWHKTJDMSVWAC-UHFFFAOYSA-N 1 0 411.527 3.986 50 0 HHAARO Clc1ccccc1C[NH+]1CCC(CNc2nn3nnnc3c3ccccc32)CC1 ZINC000021777459 568752289 /nfs/dbraw/zinc/75/22/89/568752289.db2.gz AGGSSGBQWMUHPA-UHFFFAOYSA-N 1 0 407.909 3.650 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000086053451 568753252 /nfs/dbraw/zinc/75/32/52/568753252.db2.gz GTCAHMKSCHRHET-ISPGYRLHSA-N 1 0 409.917 3.942 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2cc3ccccc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021855890 568754746 /nfs/dbraw/zinc/75/47/46/568754746.db2.gz IZOZRBMMVLNHEU-RUZDIDTESA-N 1 0 424.589 3.647 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C ZINC000002498236 568776630 /nfs/dbraw/zinc/77/66/30/568776630.db2.gz YTHYIYVYMANLIY-UHFFFAOYSA-N 1 0 410.562 3.611 50 0 HHAARO Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+](C)C)c(C)c1 ZINC000002650361 568796241 /nfs/dbraw/zinc/79/62/41/568796241.db2.gz PXBVZSLOSMZELC-UHFFFAOYSA-N 1 0 409.555 3.940 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000002655654 568797664 /nfs/dbraw/zinc/79/76/64/568797664.db2.gz IMDLDGDMEZFVQU-SFHVURJKSA-N 1 0 403.320 3.831 50 0 HHAARO C[NH2+]CCCNCc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261491732 568820228 /nfs/dbraw/zinc/82/02/28/568820228.db2.gz GFOFYEJHFMNEDJ-UHFFFAOYSA-N 1 0 404.345 3.999 50 0 HHAARO C[C@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)NC1CCCC1 ZINC000057286163 568825922 /nfs/dbraw/zinc/82/59/22/568825922.db2.gz BFLCPJDCFYDPIF-FQEVSTJZSA-N 1 0 406.574 3.868 50 0 HHAARO Cc1ccccc1CN1CCN(C(=O)CNc2ccc(Br)cc2)CC1 ZINC000057463505 568838356 /nfs/dbraw/zinc/83/83/56/568838356.db2.gz PSJFMRWDYXTMIU-UHFFFAOYSA-N 1 0 402.336 3.514 50 0 HHAARO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617545 568872112 /nfs/dbraw/zinc/87/21/12/568872112.db2.gz YBMMTGPAAXNDSS-NVXWUHKLSA-N 1 0 423.538 3.909 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992185 568873035 /nfs/dbraw/zinc/87/30/35/568873035.db2.gz XELZJZRNKWSHBN-PGKMIFDNSA-N 1 0 411.889 3.619 50 0 biogenic HHAARO CN(C)C(=O)N1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299777056 568874717 /nfs/dbraw/zinc/87/47/17/568874717.db2.gz NPBVXXDLKWKSPS-ZCNNSNEGSA-N 1 0 409.534 3.624 50 0 HHAARO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058011045 568875948 /nfs/dbraw/zinc/87/59/48/568875948.db2.gz INENECQXBFFEDY-PZJWPPBQSA-N 1 0 413.587 3.673 50 0 HHAARO COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000058154437 568892811 /nfs/dbraw/zinc/89/28/11/568892811.db2.gz BGVRPJUZXLNPDZ-QHCPKHFHSA-N 1 0 410.562 3.587 50 0 HHAARO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)CCc1cc(Br)cs1 ZINC000083851059 568919704 /nfs/dbraw/zinc/91/97/04/568919704.db2.gz WOFLRBBQDMTJFA-UHFFFAOYSA-N 1 0 411.365 3.739 50 0 HHAARO Cn1c2ccc(Br)cc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000003669754 568924625 /nfs/dbraw/zinc/92/46/25/568924625.db2.gz PAMZSNQQVDKDJB-UHFFFAOYSA-N 1 0 406.353 3.857 50 0 HHAARO CC1CC[NH+](CCCNC(=O)Cn2c(COc3ccccc3)nc3ccccc32)CC1 ZINC000012735978 568924674 /nfs/dbraw/zinc/92/46/74/568924674.db2.gz LQIVIBADBQGDTG-UHFFFAOYSA-N 1 0 420.557 3.854 50 0 HHAARO CCC[C@@H](CNC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc(Cl)cc1Cl ZINC000031353912 568924765 /nfs/dbraw/zinc/92/47/65/568924765.db2.gz SQSIXLCPNGGFQE-JTQLQIEISA-N 1 0 414.362 3.740 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 ZINC000031662850 568928939 /nfs/dbraw/zinc/92/89/39/568928939.db2.gz PNIAURQIGNOZNL-OALUTQOASA-N 1 0 413.484 3.840 50 0 HHAARO O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012742417 568929398 /nfs/dbraw/zinc/92/93/98/568929398.db2.gz OGNBPGBOIBGZKR-SFHVURJKSA-N 1 0 411.452 3.943 50 0 HHAARO Cc1ncc(-c2ccc(C)c(S(=O)(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)o1 ZINC000670461423 568951482 /nfs/dbraw/zinc/95/14/82/568951482.db2.gz CCQLCKJDJUKUJZ-RBUKOAKNSA-N 1 0 403.548 3.501 50 0 HHAARO C[C@@H]([NH2+]CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)c1ccc(C(C)(C)C)cc1 ZINC000084651524 568954657 /nfs/dbraw/zinc/95/46/57/568954657.db2.gz SAMVUGKOZGDOOP-CQSZACIVSA-N 1 0 406.523 3.816 50 0 HHAARO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1C[NH+]1CCCC1 ZINC000008013030 568968416 /nfs/dbraw/zinc/96/84/16/568968416.db2.gz OYTOWOGAAQCFIU-UHFFFAOYSA-N 1 0 413.905 3.550 50 0 HHAARO CC[N@H+](CCNC(=O)c1c(C)oc2ncnc(N3CCCCC3)c21)Cc1ccccc1 ZINC000015727622 568978696 /nfs/dbraw/zinc/97/86/96/568978696.db2.gz YOASULXLCPYVCL-UHFFFAOYSA-N 1 0 421.545 3.773 50 0 HHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nc4ccccc4s3)CC2)cc1 ZINC000012819244 568990910 /nfs/dbraw/zinc/99/09/10/568990910.db2.gz AWBUTQZZXZJJSH-UHFFFAOYSA-N 1 0 409.555 3.972 50 0 HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008346070 568994644 /nfs/dbraw/zinc/99/46/44/568994644.db2.gz VQHPIFOBUHLRMD-QFIPXVFZSA-N 1 0 415.497 3.640 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000008374040 568995756 /nfs/dbraw/zinc/99/57/56/568995756.db2.gz OJIQGJGJPCQXSX-SFHVURJKSA-N 1 0 400.837 3.692 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(F)cc(F)c3)C[C@H]2CCO)c(C)c1C ZINC000104328268 569008350 /nfs/dbraw/zinc/00/83/50/569008350.db2.gz PESUMELBLDGGOS-JOCHJYFZSA-N 1 0 404.501 3.659 50 0 HHAARO CCOC(=O)c1ccc(NC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000012887723 569019680 /nfs/dbraw/zinc/01/96/80/569019680.db2.gz JNJDKABZICYDMO-OAQYLSRUSA-N 1 0 411.502 3.831 50 0 HHAARO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000006230599 569033696 /nfs/dbraw/zinc/03/36/96/569033696.db2.gz IYKRYPCAWRTXRE-VJTSUQJLSA-N 1 0 408.542 3.680 50 0 biogenic HHAARO Cc1cccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)nn2)c1 ZINC000035398216 569035128 /nfs/dbraw/zinc/03/51/28/569035128.db2.gz GAHKDEYSIYRKNY-QFIPXVFZSA-N 1 0 421.589 3.661 50 0 HHAARO Cc1ccc2c(c1)-c1c(c(C(=O)NCC[N@H+](C)Cc3ccccc3)nn1C)CS2 ZINC000035534845 569043455 /nfs/dbraw/zinc/04/34/55/569043455.db2.gz YKRVMLAFEIHYGZ-UHFFFAOYSA-N 1 0 406.555 3.863 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC[C@H](C)[NH+]4CCCC4)cc32)c1 ZINC000035560023 569044877 /nfs/dbraw/zinc/04/48/77/569044877.db2.gz HPYBBAQDDARQGT-SFHVURJKSA-N 1 0 406.530 3.697 50 0 HHAARO CCc1nc(C)nc(N2CCN(C(=O)C(C)C)CC2)c1Cc1ccc(Cl)cc1 ZINC000035769162 569057973 /nfs/dbraw/zinc/05/79/73/569057973.db2.gz XTJNUKARTOKOQU-UHFFFAOYSA-N 1 0 400.954 3.896 50 0 HHAARO CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659016 569083642 /nfs/dbraw/zinc/08/36/42/569083642.db2.gz BWIFUVDHTYRHCQ-AWEZNQCLSA-N 1 0 400.519 3.548 50 0 HHAARO CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659848 569084045 /nfs/dbraw/zinc/08/40/45/569084045.db2.gz ULQZQLDAONRPDL-HNNXBMFYSA-N 1 0 414.546 3.857 50 0 HHAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@]2(O)C(F)(F)F ZINC000036056959 569084517 /nfs/dbraw/zinc/08/45/17/569084517.db2.gz OSUFIZIKVFXQCL-KEMUVXCRSA-N 1 0 406.499 3.667 50 0 HHAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccc(OC)c(OC)c2)CC(C)C)cc1 ZINC000036095637 569089791 /nfs/dbraw/zinc/08/97/91/569089791.db2.gz QNXCNRZKUBRCDJ-IBGZPJMESA-N 1 0 403.519 3.610 50 0 HHAARO COc1ccc(-c2nc(-c3ccc4c(c3)ncn4CC[NH+]3CCCC3)no2)cc1F ZINC000064761124 569091280 /nfs/dbraw/zinc/09/12/80/569091280.db2.gz VTRSZWSELGKCBX-UHFFFAOYSA-N 1 0 407.449 3.997 50 0 HHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145906 569098447 /nfs/dbraw/zinc/09/84/47/569098447.db2.gz SUEWZKUMSAHMSS-PKTZIBPZSA-N 1 0 414.521 3.854 50 0 HHAARO Cc1ccc(C)c(N2CCN(C(=O)C3=CC[N@H+](Cc4cccc(F)c4)CC3)CC2)c1 ZINC000064818077 569101141 /nfs/dbraw/zinc/10/11/41/569101141.db2.gz ZHBCIEISVHKKTC-UHFFFAOYSA-N 1 0 407.533 3.923 50 0 HHAARO COc1c(Br)cc(C[NH2+][C@H](C)Cn2ccnc2)cc1Br ZINC000036325314 569137411 /nfs/dbraw/zinc/13/74/11/569137411.db2.gz MWPXPYHUGOWIAB-SNVBAGLBSA-N 1 0 403.118 3.595 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000036345036 569142989 /nfs/dbraw/zinc/14/29/89/569142989.db2.gz UAVQYXKOEWDGCU-HSZRJFAPSA-N 1 0 424.976 3.964 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000036345035 569143048 /nfs/dbraw/zinc/14/30/48/569143048.db2.gz UAVQYXKOEWDGCU-QHCPKHFHSA-N 1 0 424.976 3.964 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)C1 ZINC000036391819 569167544 /nfs/dbraw/zinc/16/75/44/569167544.db2.gz VDBHQVRNGYZTEV-IBGZPJMESA-N 1 0 419.525 3.652 50 0 HHAARO COc1ccc(-n2ncc(C(=O)NCc3ccccc3Cl)c2C2CC[NH2+]CC2)cc1 ZINC000007000421 569197252 /nfs/dbraw/zinc/19/72/52/569197252.db2.gz VGWVBBFWONCYJV-UHFFFAOYSA-N 1 0 424.932 3.931 50 0 HHAARO COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(C)cc3)c2C2CC[NH2+]CC2)c1 ZINC000007000334 569197756 /nfs/dbraw/zinc/19/77/56/569197756.db2.gz WTRZSAQMLVDFJI-UHFFFAOYSA-N 1 0 420.513 3.917 50 0 HHAARO COc1ccc(NC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)c(OC)c1 ZINC000065256131 569208169 /nfs/dbraw/zinc/20/81/69/569208169.db2.gz IFHUKYSVEMIAPM-OAQYLSRUSA-N 1 0 418.497 3.502 50 0 HHAARO CCOc1ccccc1CNC(=O)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256385 569208371 /nfs/dbraw/zinc/20/83/71/569208371.db2.gz BKNDKVDDVJZZDY-JOCHJYFZSA-N 1 0 416.525 3.561 50 0 HHAARO CCOC(=O)[C@@H](C)Oc1c(Br)cc(C[NH2+]C2CCCC2)cc1OC ZINC000036611724 569208924 /nfs/dbraw/zinc/20/89/24/569208924.db2.gz YBGGCUAQHHEHEA-GFCCVEGCSA-N 1 0 400.313 3.820 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000007263621 569230811 /nfs/dbraw/zinc/23/08/11/569230811.db2.gz LZQGQFUVIBVOCZ-HXUWFJFHSA-N 1 0 412.436 3.958 50 0 HHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000065474278 569231203 /nfs/dbraw/zinc/23/12/03/569231203.db2.gz SHTFPMVMGLVGSN-UMVBOHGHSA-N 1 0 419.360 3.614 50 0 HHAARO Cc1noc2nc(C(C)C)cc(C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)c12 ZINC000170613556 569246930 /nfs/dbraw/zinc/24/69/30/569246930.db2.gz MXVFHURRBLVQAD-LJQANCHMSA-N 1 0 422.529 3.676 50 0 HHAARO COc1cc(C(C)=O)ccc1OCC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000170629024 569250723 /nfs/dbraw/zinc/25/07/23/569250723.db2.gz YXAJIHDEMYCKBQ-KRWDZBQOSA-N 1 0 410.514 3.618 50 0 HHAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000071820942 569254506 /nfs/dbraw/zinc/25/45/06/569254506.db2.gz BKRAGWZUQLQYSL-ZWKOTPCHSA-N 1 0 416.319 3.993 50 0 HHAARO CC(C)NC(=O)C[N@H+](C)C1CCN(c2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000089885240 569267711 /nfs/dbraw/zinc/26/77/11/569267711.db2.gz XLWXNIYHZNYUFS-UHFFFAOYSA-N 1 0 414.497 3.740 50 0 HHAARO COCCn1c(C)cc(O)c([C@@H](c2cccc(Cl)c2)[NH+]2CCC(C)CC2)c1=O ZINC000016993372 569270903 /nfs/dbraw/zinc/27/09/03/569270903.db2.gz ZEQNIIMYVLUAGM-OAQYLSRUSA-N 1 0 404.938 3.983 50 0 HHAARO C[C@@H]([N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000027134660 569281262 /nfs/dbraw/zinc/28/12/62/569281262.db2.gz ONODVVVYOOLERA-OAHLLOKOSA-N 1 0 411.502 3.973 50 0 HHAARO C[C@H]([N@H+](C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)C(C)(C)C ZINC000027134665 569281280 /nfs/dbraw/zinc/28/12/80/569281280.db2.gz ONODVVVYOOLERA-HNNXBMFYSA-N 1 0 411.502 3.973 50 0 HHAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000252500209 569291065 /nfs/dbraw/zinc/29/10/65/569291065.db2.gz SPDGPSGAQLGJCG-UHFFFAOYSA-N 1 0 404.480 3.887 50 0 HHAARO O=C(C[NH2+]C[C@H](CO)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002187355 569293662 /nfs/dbraw/zinc/29/36/62/569293662.db2.gz QYNTUXMTCRQYTP-LJQANCHMSA-N 1 0 422.912 3.875 50 0 HHAARO O=C(COCc1ccccc1Cl)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000253419185 569367727 /nfs/dbraw/zinc/36/77/27/569367727.db2.gz AUDRCXBTZQKOOB-KRWDZBQOSA-N 1 0 416.953 3.582 50 0 HHAARO CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002400821 569395453 /nfs/dbraw/zinc/39/54/53/569395453.db2.gz TZLDURNTYGKLSN-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000328593979 569415654 /nfs/dbraw/zinc/41/56/54/569415654.db2.gz FQWOOWVGGFGKOR-VWLOTQADSA-N 1 0 406.574 3.866 50 0 HHAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCC(=O)Nc3ccc4c(c3)CCC4)C2)n1 ZINC000078726161 569420053 /nfs/dbraw/zinc/42/00/53/569420053.db2.gz XXGZYUBTYBRIAQ-HXUWFJFHSA-N 1 0 406.530 3.558 50 0 HHAARO C[C@@H]1C[C@@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@@H+]1C ZINC000078870213 569421019 /nfs/dbraw/zinc/42/10/19/569421019.db2.gz OIOJDZZVRKWRCQ-KDOFPFPSSA-N 1 0 405.336 3.922 50 0 HHAARO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000079068521 569426730 /nfs/dbraw/zinc/42/67/30/569426730.db2.gz CCQMHBWXUAYGTR-UHFFFAOYSA-N 1 0 411.502 3.589 50 0 HHAARO Cc1ccc(-n2cnnc2SCC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000040089267 571159171 /nfs/dbraw/zinc/15/91/71/571159171.db2.gz FIMYMRSZNFTOFW-HXUWFJFHSA-N 1 0 415.607 3.541 50 0 HHAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000040105114 571165967 /nfs/dbraw/zinc/16/59/67/571165967.db2.gz ZTAIWYXZJTXVBV-UHFFFAOYSA-N 1 0 414.930 3.678 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)[NH+](C)C)cc1 ZINC000008941836 571168594 /nfs/dbraw/zinc/16/85/94/571168594.db2.gz KLKBOJPSUGSPIP-HSZRJFAPSA-N 1 0 404.514 3.791 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000040112320 571170418 /nfs/dbraw/zinc/17/04/18/571170418.db2.gz NIFLSDDZLPLGGK-SFHVURJKSA-N 1 0 403.526 3.619 50 0 HHAARO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000245237175 571219394 /nfs/dbraw/zinc/21/93/94/571219394.db2.gz FWZCQWCDPGAPFG-SOLBZPMBSA-N 1 0 412.500 3.696 50 0 HHAARO O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069458965 571228307 /nfs/dbraw/zinc/22/83/07/571228307.db2.gz MYSZHTVGSFDWQA-FGZHOGPDSA-N 1 0 401.551 3.864 50 0 HHAARO O=C1c2cccn2CC[C@@H]1[C@@H](O)c1cc[n+](Cc2ccccc2Br)cc1 ZINC000009498901 571263203 /nfs/dbraw/zinc/26/32/03/571263203.db2.gz AOIWHXZUIXYBOK-XLIONFOSSA-N 1 0 412.307 3.523 50 0 HHAARO Cc1ccc(-c2nnc(CCC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)o2)cc1 ZINC000009513021 571264444 /nfs/dbraw/zinc/26/44/44/571264444.db2.gz BNXMASPVUORSJI-UHFFFAOYSA-N 1 0 404.514 3.890 50 0 HHAARO CC[NH+](CC)C[C@@H](O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 ZINC000009968098 571293184 /nfs/dbraw/zinc/29/31/84/571293184.db2.gz IWOHPWCTEBTNDW-LJQANCHMSA-N 1 0 400.523 3.868 50 0 HHAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccnc1)N(CCC[NH+](C)C)C3=O ZINC000010233078 571297512 /nfs/dbraw/zinc/29/75/12/571297512.db2.gz BWBSUCYELZQOJF-IBGZPJMESA-N 1 0 411.889 3.647 50 0 HHAARO CC(C)[C@@H](CNC(=O)c1ccc(NC(=O)c2ccncc2)cc1)[NH+]1CCC(C)CC1 ZINC000071843124 571303071 /nfs/dbraw/zinc/30/30/71/571303071.db2.gz OWRDYJJNXPBPIR-JOCHJYFZSA-N 1 0 408.546 3.820 50 0 HHAARO CCOc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+](CC)CC)cc1OCC ZINC000036648994 571308970 /nfs/dbraw/zinc/30/89/70/571308970.db2.gz QGBLPDIEHRNLHV-UHFFFAOYSA-N 1 0 424.545 4.428 50 0 HHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn2c(n1)CC[C@H](c1cccc(F)c1)C2 ZINC000034898532 571316659 /nfs/dbraw/zinc/31/66/59/571316659.db2.gz CJRICDWFFAZKLB-HKUYNNGSSA-N 1 0 400.542 3.993 50 0 HHAARO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn2c(n1)CC[C@@H](c1cccc(F)c1)C2 ZINC000034898533 571316740 /nfs/dbraw/zinc/31/67/40/571316740.db2.gz CJRICDWFFAZKLB-IEBWSBKVSA-N 1 0 400.542 3.993 50 0 HHAARO Cc1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)nc1C ZINC000011820120 962199806 /nfs/dbraw/zinc/19/98/06/962199806.db2.gz YDEAGFNIGFKKBC-IBGZPJMESA-N 1 0 404.518 3.643 50 0 HHAARO CSc1ncc(CN2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934584 962209957 /nfs/dbraw/zinc/20/99/57/962209957.db2.gz JGLIOQGDZYNWDO-OAQYLSRUSA-N 1 0 404.530 3.965 50 0 HHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)C1 ZINC000012027799 962223834 /nfs/dbraw/zinc/22/38/34/962223834.db2.gz XUNZOTBJTYVCCQ-QGZVFWFLSA-N 1 0 422.533 3.602 50 0 HHAARO COc1cccc(OC)c1CNc1nc(C)c(-c2ccn(CC[NH+](C)C)n2)s1 ZINC000012056972 962230589 /nfs/dbraw/zinc/23/05/89/962230589.db2.gz UJVIUAHEYWGOGF-UHFFFAOYSA-N 1 0 401.536 3.506 50 0 HHAARO Cc1n[nH]c(C)c1CCN1C(=O)CC[C@@H]1CC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000012055236 962231045 /nfs/dbraw/zinc/23/10/45/962231045.db2.gz JABBDEWOLVMFRG-GOSISDBHSA-N 1 0 408.468 3.759 50 0 HHAARO CCCC[C@H]1C[N@H+](CCC(=O)NCCCOc2cccnc2)Cc2ccccc2O1 ZINC000012160331 962247058 /nfs/dbraw/zinc/24/70/58/962247058.db2.gz OZRFPZKWXWFHHQ-QFIPXVFZSA-N 1 0 411.546 3.810 50 0 HHAARO Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]CCC2=CCCCC2)C4)cn1 ZINC000012279366 962266576 /nfs/dbraw/zinc/26/65/76/962266576.db2.gz BFSVUZUCVSYZFL-SFHVURJKSA-N 1 0 423.586 3.577 50 0 HHAARO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)[nH]n1 ZINC000012301436 962267442 /nfs/dbraw/zinc/26/74/42/962267442.db2.gz VNAZKOHMCWKZRU-XMMPIXPASA-N 1 0 408.546 3.864 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)[C@H]2CCCO2)CC1 ZINC000012307948 962268735 /nfs/dbraw/zinc/26/87/35/962268735.db2.gz RYYAINPRCBNBDB-XMMPIXPASA-N 1 0 407.558 3.810 50 0 HHAARO Cc1cc(C)n([C@H](C)C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)n1 ZINC000012459387 962284710 /nfs/dbraw/zinc/28/47/10/962284710.db2.gz ZTDJXOJPWTXLMQ-LJQANCHMSA-N 1 0 400.542 3.613 50 0 HHAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014752049 962567646 /nfs/dbraw/zinc/56/76/46/962567646.db2.gz OCUPDQPFYTVUBB-UHFFFAOYSA-N 1 0 421.541 3.702 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)c4cccc(F)c4)CC[C@@H]32)cc1OC ZINC000014979890 962616847 /nfs/dbraw/zinc/61/68/47/962616847.db2.gz GVKISKWSRXCFAK-CTNGQTDRSA-N 1 0 412.505 3.970 50 0 HHAARO Cc1c(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019229003 963357815 /nfs/dbraw/zinc/35/78/15/963357815.db2.gz BUDJSXQMAIQOOF-XMMPIXPASA-N 1 0 416.569 3.507 50 0 HHAARO OCC[C@H]1CN(Cc2ccc3cc(Cl)ccc3n2)CC[N@@H+]1CCc1ccccc1 ZINC000019836595 963374926 /nfs/dbraw/zinc/37/49/26/963374926.db2.gz KJADPRQJVGOYPO-QHCPKHFHSA-N 1 0 409.961 4.000 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3c(C)nn(C)c3Cl)C2)cc1OC ZINC000020999162 963410726 /nfs/dbraw/zinc/41/07/26/963410726.db2.gz ISELDSYKXJQDAY-SFHVURJKSA-N 1 0 420.985 3.538 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000023372899 963809850 /nfs/dbraw/zinc/80/98/50/963809850.db2.gz CIMPGRXENNMVJG-OAQYLSRUSA-N 1 0 406.530 3.848 50 0 HHAARO O=C(/C=C/c1ccncc1)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055054470 965746337 /nfs/dbraw/zinc/74/63/37/965746337.db2.gz BBXYBEHOABOWPP-XYXUZSOXSA-N 1 0 410.949 3.561 50 0 HHAARO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C3)s1 ZINC000039354997 966492370 /nfs/dbraw/zinc/49/23/70/966492370.db2.gz YDVFMXIQRPAVIG-AEFFLSMTSA-N 1 0 416.518 3.661 50 0 HHAARO C[C@@H](c1ccon1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000042628379 966813371 /nfs/dbraw/zinc/81/33/71/966813371.db2.gz YOHOSSXKWIEJSP-DZGCQCFKSA-N 1 0 405.882 3.631 50 0 HHAARO O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096011738 969041003 /nfs/dbraw/zinc/04/10/03/969041003.db2.gz IGRNSXPILTUZPA-RGFVMQALSA-N 1 0 416.468 3.574 50 0 HHAARO C[NH+]1CCN(c2ccc(Br)cc2NC(=O)/C=C\c2ccccc2F)CC1 ZINC000096859097 969052845 /nfs/dbraw/zinc/05/28/45/969052845.db2.gz KNANHQHOYLNBDZ-TWGQIWQCSA-N 1 0 418.310 3.992 50 0 HHAARO CCOc1cc(/C=C\C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)ccc1OC ZINC000097994562 969182895 /nfs/dbraw/zinc/18/28/95/969182895.db2.gz LZDLMANBVUCURT-QBFSEMIESA-N 1 0 409.530 3.888 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc2ccccc21 ZINC000206073060 970007089 /nfs/dbraw/zinc/00/70/89/970007089.db2.gz OJYMJZDWISSCLE-YKSBVNFPSA-N 1 0 423.507 3.987 50 0 HHAARO O=C(C[NH+]1CCCCCC1)N1CCC(N2C(=O)C3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000257183574 970619778 /nfs/dbraw/zinc/61/97/78/970619778.db2.gz HRSJYFHGIJSCHM-XMMPIXPASA-N 1 0 423.601 3.997 50 0 HHAARO O=C(C[NH+]1CCCCCC1)N1CCC(N2C(=O)C3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000257183573 970619843 /nfs/dbraw/zinc/61/98/43/970619843.db2.gz HRSJYFHGIJSCHM-DEOSSOPVSA-N 1 0 423.601 3.997 50 0 HHAARO COc1ccccc1/C=C/CN1CCOc2ccc(C[NH+]3CCC(O)CC3)cc2C1 ZINC000299764329 970722662 /nfs/dbraw/zinc/72/26/62/970722662.db2.gz ZOORTYRJYKKMTO-GQCTYLIASA-N 1 0 408.542 3.560 50 0 HHAARO O=C(CC(F)(F)F)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169748705 1075688545 /nfs/dbraw/zinc/68/85/45/1075688545.db2.gz QLSUSFLBYWDMAH-UHFFFAOYSA-N 1 0 404.432 3.918 50 0 HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)CC1 ZINC000004676918 132282357 /nfs/dbraw/zinc/28/23/57/132282357.db2.gz ICVUGUFBYJFQNM-UHFFFAOYSA-N 1 0 421.585 3.955 50 0 HHAARO COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000006623514 132312182 /nfs/dbraw/zinc/31/21/82/132312182.db2.gz XQCLRECQFASSCQ-UHFFFAOYSA-N 1 0 417.937 3.898 50 0 HHAARO C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007224757 132322982 /nfs/dbraw/zinc/32/29/82/132322982.db2.gz LYEIGIGFCCLQFD-FQEVSTJZSA-N 1 0 407.558 3.805 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3NC(=O)c3ccco3)cc2)CC1 ZINC000011947038 132352484 /nfs/dbraw/zinc/35/24/84/132352484.db2.gz OGGWWUGVGUWAAU-UHFFFAOYSA-N 1 0 418.497 3.926 50 0 HHAARO CN(Cc1ccccc1)C(=O)c1ccc(-c2cccs2)nc1N1CC[NH+](C)CC1 ZINC000011999131 132352805 /nfs/dbraw/zinc/35/28/05/132352805.db2.gz LDSDPBSLJYIKIG-UHFFFAOYSA-N 1 0 406.555 3.834 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)cc2)CC1 ZINC000012536470 132362152 /nfs/dbraw/zinc/36/21/52/132362152.db2.gz XYJDXXFSLVDHPV-UHFFFAOYSA-N 1 0 401.514 3.754 50 0 HHAARO CC(=O)N1CCC([N@@H+]2CCCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000020586787 519512398 /nfs/dbraw/zinc/51/23/98/519512398.db2.gz LJYRHOWTJXDMTI-QFIPXVFZSA-N 1 0 422.529 3.678 50 0 HHAARO CC(C)NC(=O)CC1(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCCC1 ZINC000032904302 519701008 /nfs/dbraw/zinc/70/10/08/519701008.db2.gz PIYOSDHABMLJFJ-UHFFFAOYSA-N 1 0 419.997 3.896 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC000045462473 519720174 /nfs/dbraw/zinc/72/01/74/519720174.db2.gz UNVOEXJCUSIZCS-UHFFFAOYSA-N 1 0 407.505 3.690 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)CCCn1c(=O)oc2ccccc21)c1ccsc1 ZINC000031988379 520831116 /nfs/dbraw/zinc/83/11/16/520831116.db2.gz MGCOJMIQGQBMGH-SFHVURJKSA-N 1 0 401.532 3.636 50 0 HHAARO COc1c(C)cc(S(=O)(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cc1C ZINC000043953975 521799579 /nfs/dbraw/zinc/79/95/79/521799579.db2.gz KHQOXCAAWQZMAF-UHFFFAOYSA-N 1 0 408.589 3.564 50 0 HHAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)C1 ZINC000032951958 524221194 /nfs/dbraw/zinc/22/11/94/524221194.db2.gz GJBOLYSBUUMRNF-OAHLLOKOSA-N 1 0 415.397 3.582 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CCc3nc(-c4ccncc4)no3)cc2)C1 ZINC000032930078 524233609 /nfs/dbraw/zinc/23/36/09/524233609.db2.gz LPFMLRPVTKIAFD-GOSISDBHSA-N 1 0 419.529 3.613 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3OC)C2)CC1 ZINC000020598580 524562571 /nfs/dbraw/zinc/56/25/71/524562571.db2.gz WMLJKHBEZNJQJG-NRFANRHFSA-N 1 0 413.537 3.630 50 0 HHAARO COc1ccc(NC(=O)O[C@@H](CN2CCN(c3ccccc3)CC2)C(F)(F)F)cc1 ZINC000020219008 524581959 /nfs/dbraw/zinc/58/19/59/524581959.db2.gz DDOZUZJJCJMVRK-IBGZPJMESA-N 1 0 423.435 3.997 50 0 HHAARO Cc1ccc(C[NH2+][C@@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c43)C2)cc1 ZINC000020599053 524600368 /nfs/dbraw/zinc/60/03/68/524600368.db2.gz LCZNKPCKWJSOKJ-GOSISDBHSA-N 1 0 416.550 3.857 50 0 HHAARO Cc1cc(C[NH+]2CCC(CNS(=O)(=O)Cc3ccccc3Cl)CC2)c(C)o1 ZINC000043954262 524672878 /nfs/dbraw/zinc/67/28/78/524672878.db2.gz VIXCBIBYUMBKGM-UHFFFAOYSA-N 1 0 410.967 3.881 50 0 HHAARO Cc1ccccc1C(=O)Nc1nc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cs1 ZINC000040355381 525066421 /nfs/dbraw/zinc/06/64/21/525066421.db2.gz MEPMCOKDTGRWBL-MRXNPFEDSA-N 1 0 400.548 3.698 50 0 HHAARO Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000032873761 525254337 /nfs/dbraw/zinc/25/43/37/525254337.db2.gz WOZKEAJRAMDIOZ-QGZVFWFLSA-N 1 0 409.511 3.906 50 0 HHAARO C[S@@](=O)Cc1cccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000032865828 525371543 /nfs/dbraw/zinc/37/15/43/525371543.db2.gz QVYCPCATGPZXGB-MHZLTWQESA-N 1 0 404.963 3.613 50 0 HHAARO c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)n(-c2ccccn2)c1 ZINC000020538564 526423093 /nfs/dbraw/zinc/42/30/93/526423093.db2.gz DZDQNOPGIHQEMH-HSZRJFAPSA-N 1 0 401.558 3.659 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)CCCc3ccc(Br)s3)cn2)CC1 ZINC000012777607 536422289 /nfs/dbraw/zinc/42/22/89/536422289.db2.gz UOLNWEFPSNZQNZ-UHFFFAOYSA-N 1 0 423.380 3.619 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000008388953 536422838 /nfs/dbraw/zinc/42/28/38/536422838.db2.gz LRVRNDRODFJOTA-UHFFFAOYSA-N 1 0 405.542 3.919 50 0 HHAARO COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000001530580 557271488 /nfs/dbraw/zinc/27/14/88/557271488.db2.gz OGHNVEJMJSYVRP-QGZVFWFLSA-N 1 0 406.482 3.738 50 0 aggregator,fda HHAARO NC(=O)c1ccc(C[NH+]2CCC3(C[C@@H]3c3nnc(-c4cccc(F)c4)o3)CC2)cc1 ZINC000071890567 557317357 /nfs/dbraw/zinc/31/73/57/557317357.db2.gz IZPSFCHXANGACM-LJQANCHMSA-N 1 0 406.461 3.744 50 0 HHAARO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccnc3)CC2)nc1)c1ccccc1F ZINC000034681729 557383404 /nfs/dbraw/zinc/38/34/04/557383404.db2.gz ZWRCZVVQEZHUAF-UHFFFAOYSA-N 1 0 405.477 3.580 50 0 HHAARO Cc1cc([C@@H]2C[C@@H](C(=O)N3CCOCC3)C[N@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716778 557430464 /nfs/dbraw/zinc/43/04/64/557430464.db2.gz GZYJQPIIMAMLAA-NHCUHLMSSA-N 1 0 414.496 3.738 50 0 HHAARO COCC(=O)N(C[C@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(C)C ZINC000034740916 557444405 /nfs/dbraw/zinc/44/44/05/557444405.db2.gz IQMZANICZKCOLZ-NQIIRXRSSA-N 1 0 416.587 3.856 50 0 HHAARO Oc1ccc2c3c1O[C@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000003874478 557501888 /nfs/dbraw/zinc/50/18/88/557501888.db2.gz ZHVWWEYETMPAMX-IFKAHUTRSA-N 1 0 415.489 3.838 50 0 in-vitro HHAARO COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337784 557543680 /nfs/dbraw/zinc/54/36/80/557543680.db2.gz KEHYODJCAYVNGX-IBGZPJMESA-N 1 0 412.873 3.562 50 0 HHAARO CCc1ccc2nc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)sc2c1 ZINC000004757396 557594651 /nfs/dbraw/zinc/59/46/51/557594651.db2.gz LANHOGDKHNUVAV-UHFFFAOYSA-N 1 0 400.592 3.677 50 0 HHAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000005274557 557642991 /nfs/dbraw/zinc/64/29/91/557642991.db2.gz KSAAKAHDLLHUOU-QFIPXVFZSA-N 1 0 413.477 3.794 50 0 HHAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000005450860 557654564 /nfs/dbraw/zinc/65/45/64/557654564.db2.gz WAXGRWIQAUQRKP-SFHVURJKSA-N 1 0 401.388 3.651 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)[NH+](C)C)cc1 ZINC000008744968 557804614 /nfs/dbraw/zinc/80/46/14/557804614.db2.gz PTPZPYFKHJGTGQ-QFIPXVFZSA-N 1 0 421.545 3.931 50 0 HHAARO O[C@@H](COc1ccccc1F)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022860803 557843369 /nfs/dbraw/zinc/84/33/69/557843369.db2.gz XJIBMMURJVSHGC-HSZRJFAPSA-N 1 0 420.528 3.973 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@@H]1CC12CCC2 ZINC000011718204 558272090 /nfs/dbraw/zinc/27/20/90/558272090.db2.gz HNWTXLHBXNUEPS-NRFANRHFSA-N 1 0 400.563 3.572 50 0 HHAARO C[C@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](CC1CCCCC1)CC2 ZINC000019781897 558281425 /nfs/dbraw/zinc/28/14/25/558281425.db2.gz OSAZWIGVQVQFPI-IBGZPJMESA-N 1 0 409.578 3.527 50 0 HHAARO COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000011820298 558283743 /nfs/dbraw/zinc/28/37/43/558283743.db2.gz CGLWRPHFKACCDM-HXUWFJFHSA-N 1 0 404.514 3.822 50 0 HHAARO CCOc1cc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccccc4)O3)CC2)ccc1O ZINC000011839558 558286191 /nfs/dbraw/zinc/28/61/91/558286191.db2.gz FGVRGRQLQIVSIV-OAQYLSRUSA-N 1 0 424.541 3.735 50 0 HHAARO Cc1cc(=O)c(C(=O)NCC2CCCCC2)c(CCc2ccccc2)n1CC[NH+](C)C ZINC000011840006 558286469 /nfs/dbraw/zinc/28/64/69/558286469.db2.gz SSNHZJXHFYZYFK-UHFFFAOYSA-N 1 0 423.601 3.814 50 0 HHAARO Cc1ccc(-n2cccn2)c(C[NH+]2CCC(n3nccc3NC(=O)C3CC3)CC2)c1 ZINC000011844029 558288764 /nfs/dbraw/zinc/28/87/64/558288764.db2.gz GUUPULYDLWKNCI-UHFFFAOYSA-N 1 0 404.518 3.563 50 0 HHAARO Cc1cc(C)n(CCN2C(=O)CC[C@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000011871305 558290464 /nfs/dbraw/zinc/29/04/64/558290464.db2.gz FSFPDBUAMVIYPK-IBGZPJMESA-N 1 0 408.468 3.690 50 0 HHAARO COCC1CCN(C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000011873556 558291442 /nfs/dbraw/zinc/29/14/42/558291442.db2.gz UCWHIOKPHBQJBD-UHFFFAOYSA-N 1 0 423.557 3.624 50 0 HHAARO CCc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4csc(C)n4)O3)CC2)cc1 ZINC000011881325 558295047 /nfs/dbraw/zinc/29/50/47/558295047.db2.gz VTUMSDSDKJELBR-FQEVSTJZSA-N 1 0 413.587 3.958 50 0 HHAARO O=C(CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1)NCCCn1cccn1 ZINC000019850650 558295412 /nfs/dbraw/zinc/29/54/12/558295412.db2.gz HBUSOKPCXOUCMY-QHCPKHFHSA-N 1 0 422.504 3.555 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](C[C@@H]2CC=CCC2)CC1)c1ccc2c(c1)OCO2 ZINC000011934820 558298846 /nfs/dbraw/zinc/29/88/46/558298846.db2.gz PBUOGKUWSXQAKN-QGZVFWFLSA-N 1 0 408.502 3.857 50 0 HHAARO CCOc1cc(C[NH2+]CCN2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000019872270 558299815 /nfs/dbraw/zinc/29/98/15/558299815.db2.gz HFWOZKAXXUKMCK-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2ccccc2N(C)C)cc1 ZINC000011936946 558300883 /nfs/dbraw/zinc/30/08/83/558300883.db2.gz DKNWEQDSKMUCPR-UHFFFAOYSA-N 1 0 409.574 3.788 50 0 HHAARO CCc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000011972229 558305076 /nfs/dbraw/zinc/30/50/76/558305076.db2.gz AQYBESSAIORXBH-XMMPIXPASA-N 1 0 421.585 3.789 50 0 HHAARO COc1ccccc1/C=C/C[NH+]1CCC2(C[C@@H]2C(=O)N(C)Cc2cscn2)CC1 ZINC000012042603 558313325 /nfs/dbraw/zinc/31/33/25/558313325.db2.gz BIFOXPDCNPMZHT-ZEZYUPADSA-N 1 0 411.571 3.926 50 0 HHAARO COc1ccccc1OCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012049639 558313605 /nfs/dbraw/zinc/31/36/05/558313605.db2.gz FCFHONCSPXTZPZ-OAQYLSRUSA-N 1 0 410.558 3.796 50 0 HHAARO CC(C)(C)c1cc(=O)[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019943527 558314262 /nfs/dbraw/zinc/31/42/62/558314262.db2.gz GOVZEQOIHITGCD-UHFFFAOYSA-N 1 0 402.542 3.979 50 0 HHAARO Cc1cc(CN(C)C(=O)C2([N@H+](C)CCc3ccccc3)Cc3ccccc3C2)on1 ZINC000012112213 558326723 /nfs/dbraw/zinc/32/67/23/558326723.db2.gz CNFNMIFRJWJBJP-UHFFFAOYSA-N 1 0 403.526 3.654 50 0 HHAARO c1ccc(Cn2nnnc2CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020140922 558338865 /nfs/dbraw/zinc/33/88/65/558338865.db2.gz QPMPFBAGBYNFQI-UHFFFAOYSA-N 1 0 424.552 3.629 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(C/C=C/c3ccccc3OC)C[C@@H]2CCO)cc1 ZINC000020201564 558345560 /nfs/dbraw/zinc/34/55/60/558345560.db2.gz LNDUVYGXYZIAIR-DRGXBFSJSA-N 1 0 410.558 3.676 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3c(C)nn(C)c3Cl)C2)cc1 ZINC000020211466 558347402 /nfs/dbraw/zinc/34/74/02/558347402.db2.gz AOYMBJJKCTVGFX-IBGZPJMESA-N 1 0 404.986 3.777 50 0 HHAARO COc1ccc(C[NH2+]Cc2ccc(Oc3nnnn3-c3ccccc3)c(OC)c2)cc1 ZINC000020248749 558351539 /nfs/dbraw/zinc/35/15/39/558351539.db2.gz HYOCBKGHXJVLNI-UHFFFAOYSA-N 1 0 417.469 3.762 50 0 HHAARO COC[C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](C4CCCC4)CC3)c(OC)c2)C1 ZINC000012204781 558352321 /nfs/dbraw/zinc/35/23/21/558352321.db2.gz OEIUPZSVJZNHDV-GOSISDBHSA-N 1 0 416.562 3.590 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)cc1 ZINC000012303693 558373118 /nfs/dbraw/zinc/37/31/18/558373118.db2.gz UXTOBSWROYPEKZ-JENJNIGESA-N 1 0 414.571 3.789 50 0 HHAARO O[C@@H](COc1ccc(Cl)cc1CNCc1cccnc1)C[NH+]1CCCCCC1 ZINC000012306300 558374961 /nfs/dbraw/zinc/37/49/61/558374961.db2.gz PSUDLHHDWKEHFU-OAQYLSRUSA-N 1 0 403.954 3.641 50 0 HHAARO CCn1ccnc1CN(C)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012306029 558375093 /nfs/dbraw/zinc/37/50/93/558375093.db2.gz URQKIXHKDYHYHK-JOCHJYFZSA-N 1 0 414.594 3.539 50 0 HHAARO O=C(NCc1ccncc1)c1ccc(OC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000012307802 558376199 /nfs/dbraw/zinc/37/61/99/558376199.db2.gz XUFMPPJWIXRFTQ-UHFFFAOYSA-N 1 0 411.571 3.750 50 0 HHAARO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1CCCn1cccn1 ZINC000012309036 558377155 /nfs/dbraw/zinc/37/71/55/558377155.db2.gz KTTFAFBFVSWVCQ-JOCHJYFZSA-N 1 0 405.502 3.954 50 0 HHAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000012386857 558395558 /nfs/dbraw/zinc/39/55/58/558395558.db2.gz XCJHJXYYRYMSOU-LJQANCHMSA-N 1 0 414.571 3.824 50 0 HHAARO COc1cc(C(=O)N[C@H](C)Cn2ccc3ccccc32)ccc1OC1CC[NH+](C)CC1 ZINC000012442535 558412583 /nfs/dbraw/zinc/41/25/83/558412583.db2.gz JPYIFXKJMQGGMT-GOSISDBHSA-N 1 0 421.541 3.941 50 0 HHAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+](Cc2ccccn2)CC1 ZINC000012448072 558415259 /nfs/dbraw/zinc/41/52/59/558415259.db2.gz SKNIEGSJYHXKJK-UHFFFAOYSA-N 1 0 406.490 3.768 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(OCC)c(CO)c2)C1 ZINC000012472001 558421960 /nfs/dbraw/zinc/42/19/60/558421960.db2.gz QMAUMZAPPZLPJB-VWLOTQADSA-N 1 0 411.542 3.966 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCCC[C@@H]1CO ZINC000012576193 558430980 /nfs/dbraw/zinc/43/09/80/558430980.db2.gz POLLRBDTDATIEU-HSZRJFAPSA-N 1 0 422.569 3.760 50 0 HHAARO O=C(CCC1CC[NH+](Cc2cccc(OCCO)c2)CC1)NCc1ccc(F)cc1 ZINC000012576761 558431104 /nfs/dbraw/zinc/43/11/04/558431104.db2.gz GIYUVEDPWMEUFY-UHFFFAOYSA-N 1 0 414.521 3.505 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)NCCc2ccccc2)C1 ZINC000012578207 558431893 /nfs/dbraw/zinc/43/18/93/558431893.db2.gz NMWAGPXBHSEBKE-JOCHJYFZSA-N 1 0 409.574 3.834 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](CCCC(F)(F)F)CC2)c1 ZINC000012579555 558432078 /nfs/dbraw/zinc/43/20/78/558432078.db2.gz KWIZBBRJEKJWLF-UHFFFAOYSA-N 1 0 400.441 3.773 50 0 HHAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000012579904 558432359 /nfs/dbraw/zinc/43/23/59/558432359.db2.gz SHOXPSHQGFYRFF-HXUWFJFHSA-N 1 0 423.557 3.962 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2cc(C)nn2C)CC1 ZINC000012585086 558433938 /nfs/dbraw/zinc/43/39/38/558433938.db2.gz KCLSRTBJIDRTAV-UHFFFAOYSA-N 1 0 412.578 3.748 50 0 HHAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000012595233 558437381 /nfs/dbraw/zinc/43/73/81/558437381.db2.gz KXTRGORDEHKOEB-SFHVURJKSA-N 1 0 410.493 3.928 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1 ZINC000012612209 558438754 /nfs/dbraw/zinc/43/87/54/558438754.db2.gz ZAJVSQQCVRSNIM-IBGZPJMESA-N 1 0 402.432 3.991 50 0 HHAARO Cc1ccc2c(C)c(CCC(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)c(=O)oc2c1 ZINC000012942023 558487143 /nfs/dbraw/zinc/48/71/43/558487143.db2.gz YYWCKDUKODHDPS-NRFANRHFSA-N 1 0 410.489 3.901 50 0 HHAARO C[C@@H]([NH2+]CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995943 558498564 /nfs/dbraw/zinc/49/85/64/558498564.db2.gz HSGYQRONQBZKBM-JPYJTQIMSA-N 1 0 422.550 3.711 50 0 HHAARO CN1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860255 558517503 /nfs/dbraw/zinc/51/75/03/558517503.db2.gz UQZPLFLUUGHBOA-HXUWFJFHSA-N 1 0 409.357 3.708 50 0 HHAARO C[C@H](C(=O)Nc1cccc(Br)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916476 558521640 /nfs/dbraw/zinc/52/16/40/558521640.db2.gz XPRMUYGWWQHZIE-QGZVFWFLSA-N 1 0 416.363 3.636 50 0 HHAARO Cc1ccc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)cc1Br ZINC000022934204 558525811 /nfs/dbraw/zinc/52/58/11/558525811.db2.gz FJBKBKNVPVVROF-UHFFFAOYSA-N 1 0 416.363 3.556 50 0 HHAARO CC(C)n1cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361122 558552281 /nfs/dbraw/zinc/55/22/81/558552281.db2.gz XVZZYMNHLIPKHA-JOCHJYFZSA-N 1 0 401.986 3.904 50 0 HHAARO COc1ccc(CC[NH2+]Cc2cccc(Oc3nnnn3-c3ccccc3)c2)cc1 ZINC000013717670 558580308 /nfs/dbraw/zinc/58/03/08/558580308.db2.gz JZQCTBSJSCQHPH-UHFFFAOYSA-N 1 0 401.470 3.796 50 0 HHAARO Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCC3)c(OCC[NH+](C)C)c21 ZINC000013732040 558586860 /nfs/dbraw/zinc/58/68/60/558586860.db2.gz KRZOCVPUJOLCRZ-UHFFFAOYSA-N 1 0 410.543 3.843 50 0 HHAARO Cc1nc(-c2ccc(CC[NH2+][C@@H](C(=O)N3CCOCC3)c3ccccc3)cc2)cs1 ZINC000014160809 558626107 /nfs/dbraw/zinc/62/61/07/558626107.db2.gz OOPDRQRJVNDYFF-HSZRJFAPSA-N 1 0 421.566 3.851 50 0 HHAARO CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000014356967 558652981 /nfs/dbraw/zinc/65/29/81/558652981.db2.gz ALCGUZLBKILMTQ-VLCRHTCISA-N 1 0 411.546 3.747 50 0 HHAARO COc1ccc(CN2C(=O)N(CC(C)C)C3(CC[NH+](C4CCCC4)CC3)C2=O)cc1 ZINC000014531677 558656246 /nfs/dbraw/zinc/65/62/46/558656246.db2.gz JRZWIYNXZGULOL-UHFFFAOYSA-N 1 0 413.562 3.893 50 0 HHAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000014742290 558667449 /nfs/dbraw/zinc/66/74/49/558667449.db2.gz DVVDHLJGIYBTPU-SFTDATJTSA-N 1 0 407.558 3.908 50 0 HHAARO CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H]([N@H+](C)Cc1ccsc1)CC2 ZINC000014748315 558670002 /nfs/dbraw/zinc/67/00/02/558670002.db2.gz LXDNIZHUYXJBMU-IBGZPJMESA-N 1 0 408.571 3.743 50 0 HHAARO c1c(COc2ccc(C[NH2+]C[C@H]3COc4ccccc4O3)cc2)nc2ccccn12 ZINC000027397950 558673049 /nfs/dbraw/zinc/67/30/49/558673049.db2.gz FDWJLFXCBYBYDM-NRFANRHFSA-N 1 0 401.466 3.843 50 0 HHAARO CC(C)[NH+](CCNC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(C)C ZINC000027458352 558673272 /nfs/dbraw/zinc/67/32/72/558673272.db2.gz BIULRTATHQQFNB-INIZCTEOSA-N 1 0 417.497 3.743 50 0 HHAARO CCCOc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000027663577 558678809 /nfs/dbraw/zinc/67/88/09/558678809.db2.gz JVAMFQHZLZTQAS-QFIPXVFZSA-N 1 0 415.965 3.847 50 0 HHAARO CC(C)c1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014954894 558681875 /nfs/dbraw/zinc/68/18/75/558681875.db2.gz MSPREXONPCFQPL-KRWDZBQOSA-N 1 0 407.518 3.544 50 0 HHAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000014961042 558684128 /nfs/dbraw/zinc/68/41/28/558684128.db2.gz IZBICCOGCANHEQ-KRWDZBQOSA-N 1 0 416.591 3.526 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccsc3)CC2)c(Cl)c1 ZINC000014965980 558685560 /nfs/dbraw/zinc/68/55/60/558685560.db2.gz PMZQKBGBASDNNY-UHFFFAOYSA-N 1 0 408.951 3.821 50 0 HHAARO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](Cc3ccc(CO)o3)CC2)c1 ZINC000014975846 558689303 /nfs/dbraw/zinc/68/93/03/558689303.db2.gz SHMXVHWUDCCCLS-UHFFFAOYSA-N 1 0 420.509 3.745 50 0 HHAARO COc1cc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2ccccc2F)cc(OC)c1OC ZINC000014976939 558689700 /nfs/dbraw/zinc/68/97/00/558689700.db2.gz XCFHZEZDZVVLIX-GOSISDBHSA-N 1 0 416.493 3.522 50 0 HHAARO Cn1c(SCc2ccncc2)nnc1C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014993953 558695602 /nfs/dbraw/zinc/69/56/02/558695602.db2.gz YOSGWZWOSVOWSV-UHFFFAOYSA-N 1 0 423.542 3.611 50 0 HHAARO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH+]([C@@H](C)Cc2cccnc2)CC3)cc1 ZINC000014996595 558696400 /nfs/dbraw/zinc/69/64/00/558696400.db2.gz GWORXNYQGUOQHR-XUZZJYLKSA-N 1 0 421.585 3.961 50 0 HHAARO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000028349642 558699480 /nfs/dbraw/zinc/69/94/80/558699480.db2.gz HBIHILGQENLYSC-GUMHCPJTSA-N 1 0 407.599 3.698 50 0 HHAARO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CNC(=O)COc2ccccc2OC)C1 ZINC000015067760 558710392 /nfs/dbraw/zinc/71/03/92/558710392.db2.gz VYSGSLXHQPPJMC-ZBWUASRJSA-N 1 0 424.541 3.624 50 0 HHAARO C[N@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@@H]1CCc2ccccc21 ZINC000029489091 558715808 /nfs/dbraw/zinc/71/58/08/558715808.db2.gz AIVOITKOGGOEDC-QGZVFWFLSA-N 1 0 417.303 3.778 50 0 HHAARO COc1ccccc1OCC(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000015078348 558717577 /nfs/dbraw/zinc/71/75/77/558717577.db2.gz WRZGLTKZVPPUAJ-PEAOBZDDSA-N 1 0 412.505 3.755 50 0 HHAARO COc1cc(C[C@H]2CC(C[NH2+]Cc3cccc(Cl)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081369 558718966 /nfs/dbraw/zinc/71/89/66/558718966.db2.gz VMMKYXAPKKMPHY-KRWDZBQOSA-N 1 0 418.877 3.563 50 0 HHAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2ccccc2n1 ZINC000072289642 558722255 /nfs/dbraw/zinc/72/22/55/558722255.db2.gz RCPJXXDIBJHPEK-JOCHJYFZSA-N 1 0 419.573 3.649 50 0 HHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000004556308 558725504 /nfs/dbraw/zinc/72/55/04/558725504.db2.gz RPMKWVKRDFMHHW-GOSISDBHSA-N 1 0 403.504 3.581 50 0 HHAARO Cn1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cc1=O ZINC000030762532 558737881 /nfs/dbraw/zinc/73/78/81/558737881.db2.gz FVWXSPCHWMDEDI-UHFFFAOYSA-N 1 0 401.510 3.578 50 0 HHAARO Cc1nc(-c2cccc(C(=O)Nc3ccc(N4CCC(C[NH+](C)C)CC4)cc3)c2)n[nH]1 ZINC000072310365 558777053 /nfs/dbraw/zinc/77/70/53/558777053.db2.gz HHHHGUAGVYWVEK-UHFFFAOYSA-N 1 0 418.545 3.810 50 0 HHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N1CCC([C@H](O)c3ccccc3)CC1)C[C@@H](C)O2 ZINC000039354731 558820301 /nfs/dbraw/zinc/82/03/01/558820301.db2.gz XPTRGIZHCYWHAA-FQRUVTKNSA-N 1 0 422.569 3.940 50 0 HHAARO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)ccn1 ZINC000019144015 558846577 /nfs/dbraw/zinc/84/65/77/558846577.db2.gz WJTQUCSPFNXIQS-JOCHJYFZSA-N 1 0 400.473 3.530 50 0 HHAARO CCc1oc(C(=O)N(CCOC)Cc2c(C)nn(CC)c2C)cc1C[NH+]1CCCC1 ZINC000055053177 558870852 /nfs/dbraw/zinc/87/08/52/558870852.db2.gz POPNQHMSDHAKND-UHFFFAOYSA-N 1 0 416.566 3.560 50 0 HHAARO CCN(Cc1cnc(SC)nc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000055198427 558875705 /nfs/dbraw/zinc/87/57/05/558875705.db2.gz CHPMRIPEFGFRQZ-HXUWFJFHSA-N 1 0 414.619 3.984 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc3nonc32)CC1)c1ccccc1 ZINC000055383229 558880600 /nfs/dbraw/zinc/88/06/00/558880600.db2.gz IJORGOCEGBDUNO-UHFFFAOYSA-N 1 0 402.458 3.509 50 0 HHAARO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCCc1ccccc1 ZINC000058004950 558894424 /nfs/dbraw/zinc/89/44/24/558894424.db2.gz NJRLPGYXQVNVGC-UHFFFAOYSA-N 1 0 404.352 3.765 50 0 HHAARO CC(=O)N1CCCc2cc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)ccc21 ZINC000071792348 558912189 /nfs/dbraw/zinc/91/21/89/558912189.db2.gz FRWIIHMEHVRBGQ-UHFFFAOYSA-N 1 0 409.555 3.787 50 0 HHAARO CSc1cccc(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)c1 ZINC000072139301 558928964 /nfs/dbraw/zinc/92/89/64/558928964.db2.gz BOTGZTROBGYZJF-UHFFFAOYSA-N 1 0 400.552 3.731 50 0 HHAARO C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000060168066 558941460 /nfs/dbraw/zinc/94/14/60/558941460.db2.gz UQNDKEXKOBMDGI-CQSZACIVSA-N 1 0 417.472 3.509 50 0 HHAARO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@H]3C)c3ccc(F)cc3n2)cn1 ZINC000063855453 558959656 /nfs/dbraw/zinc/95/96/56/558959656.db2.gz VFLIFDOOJMXPBY-MRXNPFEDSA-N 1 0 409.509 3.985 50 0 HHAARO COc1cccc([C@]2(C[N@H+](CCCn3ccnc3)Cc3ccncc3)CCOC2)c1 ZINC000063869950 558960252 /nfs/dbraw/zinc/96/02/52/558960252.db2.gz JURYNZMZYSFEDZ-DEOSSOPVSA-N 1 0 406.530 3.537 50 0 HHAARO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063868710 558960271 /nfs/dbraw/zinc/96/02/71/558960271.db2.gz QCGZCGJMNUWYJS-MRXNPFEDSA-N 1 0 409.509 3.985 50 0 HHAARO Cc1ccc(CN(CCC(=O)N2CC[NH2+]CC2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000065314929 558970906 /nfs/dbraw/zinc/97/09/06/558970906.db2.gz YCPBAIKISQKUKP-UHFFFAOYSA-N 1 0 421.585 3.757 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065364416 558975579 /nfs/dbraw/zinc/97/55/79/558975579.db2.gz GSSPHWSDWJHREL-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2c1 ZINC000004728061 558984994 /nfs/dbraw/zinc/98/49/94/558984994.db2.gz LCCWXBJQUAEVKF-HXUWFJFHSA-N 1 0 411.889 3.603 50 0 HHAARO CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCCC[NH+](CC)CC)c1C ZINC000004729005 558985447 /nfs/dbraw/zinc/98/54/47/558985447.db2.gz DLWXGWUTHHOABX-UHFFFAOYSA-N 1 0 417.525 3.627 50 0 HHAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)C(=O)Nc1cccc2cccnc21 ZINC000096999009 558987381 /nfs/dbraw/zinc/98/73/81/558987381.db2.gz MIGBJVYGQWCGGZ-UHFFFAOYSA-N 1 0 410.543 3.605 50 0 HHAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3sc(-c4ccccc4)nc3C)CC2)n1 ZINC000067602200 558987872 /nfs/dbraw/zinc/98/78/72/558987872.db2.gz GVUMMLHLOHPZAZ-UHFFFAOYSA-N 1 0 422.558 3.611 50 0 HHAARO C[C@@H]([NH2+]CC(=O)Nc1cccc(Br)c1)c1ccc(N2CCOC2=O)cc1 ZINC000097033183 558988165 /nfs/dbraw/zinc/98/81/65/558988165.db2.gz OZHRQBYESYDKJN-CYBMUJFWSA-N 1 0 418.291 3.695 50 0 HHAARO COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)c(C)o2)cc1C ZINC000067755354 558992302 /nfs/dbraw/zinc/99/23/02/558992302.db2.gz FAXBDCSMOVGXQQ-HXUWFJFHSA-N 1 0 413.562 3.820 50 0 HHAARO CS[C@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(OCC[NH+](C)C)c12 ZINC000077488863 559007257 /nfs/dbraw/zinc/00/72/57/559007257.db2.gz JPHXFZPCQYATSV-CQSZACIVSA-N 1 0 416.522 3.795 50 0 HHAARO CCC1(CC)CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)C1 ZINC000082121759 559039474 /nfs/dbraw/zinc/03/94/74/559039474.db2.gz MYGOQSNTGYJCQJ-QFIPXVFZSA-N 1 0 412.622 3.797 50 0 HHAARO CCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCC1 ZINC000082138815 559040706 /nfs/dbraw/zinc/04/07/06/559040706.db2.gz LZAGTCHOUVZYDA-JOCHJYFZSA-N 1 0 412.622 3.939 50 0 HHAARO CSc1cccc(NC(=O)NCCNc2cc(-n3cnc(C)c3C)nc(C)[nH+]2)c1 ZINC000082230405 559042777 /nfs/dbraw/zinc/04/27/77/559042777.db2.gz NXPFJPKYKDKWGI-UHFFFAOYSA-N 1 0 411.535 3.543 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000082230698 559042925 /nfs/dbraw/zinc/04/29/25/559042925.db2.gz UGSARONCVGZFPB-UHFFFAOYSA-N 1 0 407.440 3.636 50 0 HHAARO OCCC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)CC[C@@H]1N1CCOCC1 ZINC000095380099 559080557 /nfs/dbraw/zinc/08/05/57/559080557.db2.gz HNSAMCRSRPXWMC-IRLDBZIGSA-N 1 0 400.588 3.710 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2cn[nH]c2)CC1 ZINC000095517366 559084609 /nfs/dbraw/zinc/08/46/09/559084609.db2.gz QJMOAPAMUJCUEM-UHFFFAOYSA-N 1 0 403.530 3.668 50 0 HHAARO COc1ccccc1[C@@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CC[NH+](C)C ZINC000011614658 559114500 /nfs/dbraw/zinc/11/45/00/559114500.db2.gz YDKLJGHHCOCUEO-LJQANCHMSA-N 1 0 412.873 3.562 50 0 HHAARO COc1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1OC ZINC000004921952 559206862 /nfs/dbraw/zinc/20/68/62/559206862.db2.gz UTUMPOGYJKYEFY-UHFFFAOYSA-N 1 0 419.481 3.881 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936645 559211876 /nfs/dbraw/zinc/21/18/76/559211876.db2.gz CBOPWKWEDOWJGF-UHFFFAOYSA-N 1 0 403.592 3.742 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)CSc1cc(=O)n(C)c2cc(Cl)ccc12 ZINC000005008514 559226985 /nfs/dbraw/zinc/22/69/85/559226985.db2.gz RSBLAZQCMCVXGZ-UHFFFAOYSA-N 1 0 424.010 3.912 50 0 HHAARO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000005057797 559238130 /nfs/dbraw/zinc/23/81/30/559238130.db2.gz SREWELXVCFVELC-FNZLVXQQSA-N 1 0 411.590 3.626 50 0 HHAARO CCOc1ccc2nc(N3CCC(C(=O)NCCC[NH+](CC)CC)CC3)sc2c1 ZINC000005085942 559242903 /nfs/dbraw/zinc/24/29/03/559242903.db2.gz VDMSIDICWSKQQP-UHFFFAOYSA-N 1 0 418.607 3.760 50 0 HHAARO C[NH+](C)CCCN(C(=O)CCc1ccccc1)c1nc2cc3c(cc2s1)OCO3 ZINC000005122461 559248677 /nfs/dbraw/zinc/24/86/77/559248677.db2.gz DNJMBTVGVPGTCF-UHFFFAOYSA-N 1 0 411.527 3.943 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(=O)c(OCc2ccccc2)co1 ZINC000011856608 559262298 /nfs/dbraw/zinc/26/22/98/559262298.db2.gz XSUMBQOCASRTKY-UHFFFAOYSA-N 1 0 418.493 3.613 50 0 HHAARO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019626257 560555668 /nfs/dbraw/zinc/55/56/68/560555668.db2.gz RUTWJFHUJLHOGI-NRFANRHFSA-N 1 0 413.521 3.613 50 0 biogenic,in-vitro HHAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000005354802 560569435 /nfs/dbraw/zinc/56/94/35/560569435.db2.gz CUUXDDIYBCFWPA-SFHVURJKSA-N 1 0 402.281 3.939 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000005483282 560596427 /nfs/dbraw/zinc/59/64/27/560596427.db2.gz YVUFEZLYZUOAFD-IQOKHDRSSA-N 1 0 405.498 3.582 50 0 HHAARO COC(=O)N1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000583652240 560779206 /nfs/dbraw/zinc/77/92/06/560779206.db2.gz DUEDHAJLEKFMML-UXHICEINSA-N 1 0 417.550 3.600 50 0 HHAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](C)O)C(C)C)cc1 ZINC000105003418 560859377 /nfs/dbraw/zinc/85/93/77/560859377.db2.gz WIRUARKGSPHMEU-RXVVDRJESA-N 1 0 416.587 3.653 50 0 HHAARO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012052583 560887915 /nfs/dbraw/zinc/88/79/15/560887915.db2.gz MHRHKCIPQQRAHL-QFIPXVFZSA-N 1 0 406.954 3.539 50 0 HHAARO CC1CC[NH+](CCCCNC(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000045791439 568420976 /nfs/dbraw/zinc/42/09/76/568420976.db2.gz XCHVUKYUVJOGRF-JOCHJYFZSA-N 1 0 403.567 3.556 50 0 HHAARO CC[N@H+](C)Cc1cccc(CNC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1 ZINC000109346448 568421989 /nfs/dbraw/zinc/42/19/89/568421989.db2.gz YQZTZUGHNBPVCZ-UHFFFAOYSA-N 1 0 410.493 3.967 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3cc(C)ccc3C)cc2)CC1 ZINC000048289845 568435075 /nfs/dbraw/zinc/43/50/75/568435075.db2.gz YOBPHKUNGFNAOB-UHFFFAOYSA-N 1 0 409.574 3.526 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1I ZINC000048313440 568439192 /nfs/dbraw/zinc/43/91/92/568439192.db2.gz UQQDSYIILFBXDH-GFCCVEGCSA-N 1 0 420.722 3.939 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000048367999 568442097 /nfs/dbraw/zinc/44/20/97/568442097.db2.gz LLNICSWBFMRXIC-BJKOFHAPSA-N 1 0 403.526 3.904 50 0 HHAARO CC(=O)Nc1nc(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000048886705 568443506 /nfs/dbraw/zinc/44/35/06/568443506.db2.gz AWZXQLQOZTWDSH-GASCZTMLSA-N 1 0 400.548 3.509 50 0 HHAARO O=C(Nc1ccccc1)c1ccc(N2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3)C2)nc1 ZINC000049421000 568450451 /nfs/dbraw/zinc/45/04/51/568450451.db2.gz AHTBNZDYUXLCJO-LJQANCHMSA-N 1 0 408.452 3.981 50 0 HHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(COc3ccc(OC)c4ccccc34)on2)C1 ZINC000012303511 568464911 /nfs/dbraw/zinc/46/49/11/568464911.db2.gz PIIGAWLGQYXMTR-KRWDZBQOSA-N 1 0 423.513 3.972 50 0 HHAARO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000022039548 568473273 /nfs/dbraw/zinc/47/32/73/568473273.db2.gz AVKIGMHHJGZRDU-OAHLLOKOSA-N 1 0 414.377 3.945 50 0 HHAARO COc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000022766941 568499258 /nfs/dbraw/zinc/49/92/58/568499258.db2.gz GYNOXAKPYBCGCF-MRXNPFEDSA-N 1 0 405.520 3.733 50 0 HHAARO O=C(CSc1nccnc1Sc1ccccc1)NCC[NH+]1CCCCCC1 ZINC000033168956 568511614 /nfs/dbraw/zinc/51/16/14/568511614.db2.gz SRNURRVFFKTETG-UHFFFAOYSA-N 1 0 402.589 3.712 50 0 HHAARO COc1ccccc1NC(=S)N(CCCN1CC[NH+](C)CC1)Cc1cccs1 ZINC000020107827 568588481 /nfs/dbraw/zinc/58/84/81/568588481.db2.gz PFTRCTVHIZLNNG-UHFFFAOYSA-N 1 0 418.632 3.593 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)c3cccc(N(C)C)c3)cc12 ZINC000020114436 568589456 /nfs/dbraw/zinc/58/94/56/568589456.db2.gz VNTPCXCMCVYOQW-UHFFFAOYSA-N 1 0 403.530 3.613 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000020153759 568590876 /nfs/dbraw/zinc/59/08/76/568590876.db2.gz GOODFGGXVXZAFS-IAGOWNOFSA-N 1 0 411.619 3.970 50 0 HHAARO Cc1ccc2c(c1)C(C)=Nc1cc(C(=O)NCCCN3CC[NH+](C)CC3)ccc1S2 ZINC000020178939 568593016 /nfs/dbraw/zinc/59/30/16/568593016.db2.gz NIVLACLCCNTJGE-UHFFFAOYSA-N 1 0 422.598 3.968 50 0 HHAARO Cn1ccnc1SCc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)o1 ZINC000095385793 568603803 /nfs/dbraw/zinc/60/38/03/568603803.db2.gz JTCYXFCZVGCZQI-UHFFFAOYSA-N 1 0 402.564 3.690 50 0 HHAARO CCCC[N@@H+]1CCc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2C1 ZINC000020467812 568610640 /nfs/dbraw/zinc/61/06/40/568610640.db2.gz JLHFHSPNPGDYAV-UHFFFAOYSA-N 1 0 406.939 3.725 50 0 HHAARO CN1CC[NH+]([C@@H]2CCCCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)C2)CC1 ZINC000095454964 568616620 /nfs/dbraw/zinc/61/66/20/568616620.db2.gz PJLNSLAJSFHIIL-LJQANCHMSA-N 1 0 420.001 3.574 50 0 HHAARO COc1ccc(-n2ccc(CN[C@H]3CC4(CC[NH+](C)CC4)Oc4ccccc43)n2)cc1 ZINC000095462835 568621639 /nfs/dbraw/zinc/62/16/39/568621639.db2.gz ZBRYKFLYNCHNCX-QHCPKHFHSA-N 1 0 418.541 3.959 50 0 HHAARO CCC(=O)N1CCc2cc(C(=O)Nc3ccc(N4CC[NH+](CC)CC4)cc3C)ccc21 ZINC000040143530 568624210 /nfs/dbraw/zinc/62/42/10/568624210.db2.gz OMZYPWCCCFNNPE-UHFFFAOYSA-N 1 0 420.557 3.688 50 0 HHAARO Cc1nc2cc(NC(=O)Cc3cc(F)c(F)cc3F)ccc2n1CCC[NH+](C)C ZINC000095478325 568631720 /nfs/dbraw/zinc/63/17/20/568631720.db2.gz SQBODAFEVMNUNX-UHFFFAOYSA-N 1 0 404.436 3.895 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000020889927 568647738 /nfs/dbraw/zinc/64/77/38/568647738.db2.gz BAPKGDPIZYBFLI-UHFFFAOYSA-N 1 0 402.926 3.682 50 0 HHAARO C[N@H+](CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)C1CC1)C1CC1 ZINC000225571890 568652545 /nfs/dbraw/zinc/65/25/45/568652545.db2.gz GOPOCLOLWSASJE-UHFFFAOYSA-N 1 0 424.520 3.575 50 0 HHAARO COc1ccc(S(=O)(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1Cl ZINC000020946230 568653439 /nfs/dbraw/zinc/65/34/39/568653439.db2.gz VNZNFYQQYPLYNZ-UHFFFAOYSA-N 1 0 400.972 3.625 50 0 HHAARO C[N@H+](CCCNC(=O)C1=Cc2cc(Br)ccc2OC1)Cc1ccccc1 ZINC000021095807 568665044 /nfs/dbraw/zinc/66/50/44/568665044.db2.gz FQIAYVQUNMWLMA-UHFFFAOYSA-N 1 0 415.331 3.863 50 0 HHAARO COCCn1c(C)cc(O)c([C@@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000021097783 568665397 /nfs/dbraw/zinc/66/53/97/568665397.db2.gz DAXVHDVYJPVIBC-OAQYLSRUSA-N 1 0 404.938 3.983 50 0 HHAARO CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(OC)cc1 ZINC000021148550 568672069 /nfs/dbraw/zinc/67/20/69/568672069.db2.gz GUEPRFMOPWPJIN-UHFFFAOYSA-N 1 0 407.539 3.780 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)C1CCN(c2nc3cccnc3s2)CC1 ZINC000021163748 568674598 /nfs/dbraw/zinc/67/45/98/568674598.db2.gz NGTDNOJQAPHAQD-UHFFFAOYSA-N 1 0 403.596 3.536 50 0 HHAARO CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC[NH+](C)C)CC1=O ZINC000021172164 568676390 /nfs/dbraw/zinc/67/63/90/568676390.db2.gz IHNMCROFQWOJAO-GOSISDBHSA-N 1 0 406.530 3.907 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCNC(=O)Nc2cccc3c2CCCC3)CC1 ZINC000021175160 568677051 /nfs/dbraw/zinc/67/70/51/568677051.db2.gz QSWLUYZCIOLDDN-UHFFFAOYSA-N 1 0 422.573 3.908 50 0 HHAARO Cc1ccc([C@@H](CC(=O)NCCC[NH+]2CCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530741 568710956 /nfs/dbraw/zinc/71/09/56/568710956.db2.gz GHWGNKKSRQPDKO-HSZRJFAPSA-N 1 0 405.542 3.684 50 0 HHAARO c1cc(CN2CCC([NH+]3CCCCC3)CC2)n(-c2nnc(N3CCCCC3)s2)c1 ZINC000021531679 568711356 /nfs/dbraw/zinc/71/13/56/568711356.db2.gz BSTNQKKCOGEZQT-UHFFFAOYSA-N 1 0 414.623 3.769 50 0 HHAARO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000229848051 568715439 /nfs/dbraw/zinc/71/54/39/568715439.db2.gz JXZWVEUXGSBXNL-AZUAARDMSA-N 1 0 411.594 3.770 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420311 568720520 /nfs/dbraw/zinc/72/05/20/568720520.db2.gz ZQODDIMANSGQIW-MBNYWOFBSA-N 1 0 421.173 3.929 50 0 HHAARO COc1ccc(C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CCOCC2)cc1 ZINC000239359539 568729018 /nfs/dbraw/zinc/72/90/18/568729018.db2.gz AEPYNSXQVWGSTG-QFIPXVFZSA-N 1 0 400.563 3.657 50 0 HHAARO COc1ccccc1-c1cc(C(F)(F)F)n2ncc(C(=O)OCCC[NH+](C)C)c2n1 ZINC000021788875 568752833 /nfs/dbraw/zinc/75/28/33/568752833.db2.gz CCTPDIRVVAHRQW-UHFFFAOYSA-N 1 0 422.407 3.532 50 0 HHAARO O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1ccc(I)cc1 ZINC000052537352 568769732 /nfs/dbraw/zinc/76/97/32/568769732.db2.gz BJOKOZJDGDBUJB-UHFFFAOYSA-N 1 0 400.647 3.673 50 0 HHAARO Fc1ccccc1Cn1nc(C[NH2+]CCOc2ccccn2)c(-c2ccccc2)n1 ZINC000261492601 568820576 /nfs/dbraw/zinc/82/05/76/568820576.db2.gz PGOQIJGZTIMRLH-UHFFFAOYSA-N 1 0 403.461 3.696 50 0 HHAARO O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000056896083 568820949 /nfs/dbraw/zinc/82/09/49/568820949.db2.gz CPKSMNLNWMREBL-HSZRJFAPSA-N 1 0 404.489 3.514 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000057105589 568824194 /nfs/dbraw/zinc/82/41/94/568824194.db2.gz AMUPFGDCAJZQCJ-QUZZAMIASA-N 1 0 411.477 3.645 50 0 HHAARO Cc1cc2nnc(SCC(=O)NC[C@H](c3ccccc3)[NH+](C)C)n2c2ccccc12 ZINC000005885964 568828294 /nfs/dbraw/zinc/82/82/94/568828294.db2.gz HNJHGFFYMHWIAG-HXUWFJFHSA-N 1 0 419.554 3.702 50 0 HHAARO Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230209444 568854877 /nfs/dbraw/zinc/85/48/77/568854877.db2.gz LRAADKDNNOIIOU-VWNXMTODSA-N 1 0 408.590 3.862 50 0 biogenic HHAARO CN(C)c1cccc(C(=O)N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000030126152 568857939 /nfs/dbraw/zinc/85/79/39/568857939.db2.gz ODOIJYKSCGFUEW-UHFFFAOYSA-N 1 0 407.436 3.609 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC000003184571 568860315 /nfs/dbraw/zinc/86/03/15/568860315.db2.gz YMKXXRLCKZLIIR-OAQYLSRUSA-N 1 0 418.559 3.567 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2F)C[C@@H](C)O1 ZINC000057853786 568863450 /nfs/dbraw/zinc/86/34/50/568863450.db2.gz PRPMLKFYHNBGTJ-CLCXKQKWSA-N 1 0 420.554 3.925 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)CCc3ccc(O)cc3)cc2C)CC1 ZINC000057866325 568864517 /nfs/dbraw/zinc/86/45/17/568864517.db2.gz KTOJOEWLGSWFLM-IBGZPJMESA-N 1 0 410.562 3.985 50 0 HHAARO Cc1cc(C)nc(SCC(=O)N(C)C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)n1 ZINC000084114591 568938648 /nfs/dbraw/zinc/93/86/48/568938648.db2.gz VDHOAIVLYPKFIH-IAGOWNOFSA-N 1 0 412.603 3.801 50 0 HHAARO Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)NCC[N@H+]3CCCC[C@H]3C)C2)nn1 ZINC000248115091 568950170 /nfs/dbraw/zinc/95/01/70/568950170.db2.gz UYAZVZQXNBLBRO-RTWAWAEBSA-N 1 0 421.589 3.659 50 0 HHAARO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000012779234 568956530 /nfs/dbraw/zinc/95/65/30/568956530.db2.gz NUKAIIRCBMXOAP-INIZCTEOSA-N 1 0 415.588 3.787 50 0 HHAARO COc1cc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc(OC)c1 ZINC000015726987 568978316 /nfs/dbraw/zinc/97/83/16/568978316.db2.gz XEBUEUNDSXLMRY-UHFFFAOYSA-N 1 0 424.476 3.748 50 0 HHAARO COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008373995 568995698 /nfs/dbraw/zinc/99/56/98/568995698.db2.gz HLXDNXWBZSUKES-LJQANCHMSA-N 1 0 412.873 3.562 50 0 HHAARO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773958 568998814 /nfs/dbraw/zinc/99/88/14/568998814.db2.gz KHNBUAROGIYANQ-QHCPKHFHSA-N 1 0 405.542 3.640 50 0 HHAARO C[N@H+](CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)Cc1ccccc1 ZINC000015773974 568998888 /nfs/dbraw/zinc/99/88/88/568998888.db2.gz FGLMFURLORRNFI-DEOSSOPVSA-N 1 0 413.521 3.506 50 0 HHAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429317 569002604 /nfs/dbraw/zinc/00/26/04/569002604.db2.gz HACGBOSAFXOTCH-UHFFFAOYSA-N 1 0 408.477 3.721 50 0 HHAARO COc1ccc2c(c1)C[C@H](C(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)CO2 ZINC000015786263 569007272 /nfs/dbraw/zinc/00/72/72/569007272.db2.gz QQMPHEBJSBKDCX-QHCPKHFHSA-N 1 0 422.569 3.707 50 0 HHAARO COc1ccc(CN2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)c(F)c1 ZINC000104373187 569008541 /nfs/dbraw/zinc/00/85/41/569008541.db2.gz CDIVYHKVKBMCAA-QGZVFWFLSA-N 1 0 415.534 3.513 50 0 HHAARO C[N@H+](CCNC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1CCCCC1 ZINC000015868570 569017390 /nfs/dbraw/zinc/01/73/90/569017390.db2.gz GOQGJNMOOAWSFS-UHFFFAOYSA-N 1 0 424.589 3.791 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000015972091 569025227 /nfs/dbraw/zinc/02/52/27/569025227.db2.gz LXGWRKRXKJDGPC-VWQFJMCTSA-N 1 0 407.514 3.814 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000015972321 569025231 /nfs/dbraw/zinc/02/52/31/569025231.db2.gz AMUPFGDCAJZQCJ-BVZALQNUSA-N 1 0 411.477 3.645 50 0 HHAARO CC(C)c1ccc(NC(=O)C2CCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000016021794 569026117 /nfs/dbraw/zinc/02/61/17/569026117.db2.gz JPUSPCZMAFUGHR-HSZRJFAPSA-N 1 0 405.542 3.702 50 0 HHAARO COc1ccccc1OCC[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000016046946 569028331 /nfs/dbraw/zinc/02/83/31/569028331.db2.gz QDPJIEULPHDHQN-QFIPXVFZSA-N 1 0 404.510 3.764 50 0 HHAARO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CC[C@@H](C(CO)CO)C1 ZINC000229400587 569040420 /nfs/dbraw/zinc/04/04/20/569040420.db2.gz PFQYJDOUAYRYKT-QRWLVFNGSA-N 1 0 423.340 3.596 50 0 HHAARO C[N@H+](CCCNC(=O)[C@H]1CCCN(c2nc3cccnc3s2)C1)C1CCCCC1 ZINC000035505269 569040855 /nfs/dbraw/zinc/04/08/55/569040855.db2.gz MGKOTXBZVZOZCM-KRWDZBQOSA-N 1 0 415.607 3.679 50 0 HHAARO C[C@H](CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC000035528897 569044097 /nfs/dbraw/zinc/04/40/97/569044097.db2.gz GTDHWCSZXOBEGR-QGZVFWFLSA-N 1 0 420.985 3.965 50 0 HHAARO CCc1nc(C)c([C@H](C)N(C)CC(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)s1 ZINC000089289887 569058063 /nfs/dbraw/zinc/05/80/63/569058063.db2.gz PYZLSYXOQDDPCN-IRXDYDNUSA-N 1 0 406.596 3.799 50 0 HHAARO CCc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035876725 569064364 /nfs/dbraw/zinc/06/43/64/569064364.db2.gz MIPIVZINQFSHFR-ZSHKSDETSA-N 1 0 419.569 3.825 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648175 569073644 /nfs/dbraw/zinc/07/36/44/569073644.db2.gz RPOGEBDWDQUXDG-NRFANRHFSA-N 1 0 406.933 3.672 50 0 HHAARO COc1ccc(OC)c(-c2cc(CN(CC[NH+](C)C)C(=O)c3ccccc3)no2)c1 ZINC000036012529 569076186 /nfs/dbraw/zinc/07/61/86/569076186.db2.gz CPZQUZQBCAQSOI-UHFFFAOYSA-N 1 0 409.486 3.563 50 0 HHAARO Cc1c(C)c(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659928 569084012 /nfs/dbraw/zinc/08/40/12/569084012.db2.gz HZLDCPYMIJNLIH-INIZCTEOSA-N 1 0 414.546 3.911 50 0 HHAARO O=C(NCC[NH+]1CCCCCC1)c1nc(-c2ccc(N3CCCCCC3)cc2)no1 ZINC000064746578 569088496 /nfs/dbraw/zinc/08/84/96/569088496.db2.gz UPIJMQUJKKJMLO-UHFFFAOYSA-N 1 0 411.550 3.723 50 0 HHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103948 569092303 /nfs/dbraw/zinc/09/23/03/569092303.db2.gz RDYXOTFASOXZCO-NRFANRHFSA-N 1 0 413.514 3.739 50 0 HHAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccco1 ZINC000036104609 569092659 /nfs/dbraw/zinc/09/26/59/569092659.db2.gz DHEIQJVSNBDESW-NRFANRHFSA-N 1 0 409.482 3.897 50 0 HHAARO CCCCOc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(N4CCCC4)n3)CC2)cc1 ZINC000064799740 569097232 /nfs/dbraw/zinc/09/72/32/569097232.db2.gz SDRQJSKRMNLYKV-UHFFFAOYSA-N 1 0 423.561 3.527 50 0 HHAARO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145975 569098592 /nfs/dbraw/zinc/09/85/92/569098592.db2.gz QTKJEPAJRPVJCC-SFTDATJTSA-N 1 0 402.922 3.733 50 0 HHAARO CCC[NH+](CCC)C[C@@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000006720713 569098971 /nfs/dbraw/zinc/09/89/71/569098971.db2.gz CATUHJQQCWKHPA-OAQYLSRUSA-N 1 0 404.576 3.673 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+][C@@H]3CCCC[C@@H]3C)cc21 ZINC000006732820 569103943 /nfs/dbraw/zinc/10/39/43/569103943.db2.gz JASNWUQUBISMEN-XAUMDUMWSA-N 1 0 402.535 3.571 50 0 HHAARO C[C@@H]1CCC[C@@H](C)[NH+]1CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806356 569130979 /nfs/dbraw/zinc/13/09/79/569130979.db2.gz QQYAPAGVUIPKKM-IAGOWNOFSA-N 1 0 416.591 3.516 50 0 HHAARO COc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc(OC)c1 ZINC000006819344 569139180 /nfs/dbraw/zinc/13/91/80/569139180.db2.gz LLNVEVSUHIOTFT-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000036340151 569141506 /nfs/dbraw/zinc/14/15/06/569141506.db2.gz DICVMSDDBSCXQE-FQEVSTJZSA-N 1 0 416.569 3.854 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)CC1 ZINC000036341603 569141949 /nfs/dbraw/zinc/14/19/49/569141949.db2.gz KPTYIQGOLKROOW-QFIPXVFZSA-N 1 0 410.949 3.655 50 0 HHAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3)ccc21 ZINC000065026998 569155863 /nfs/dbraw/zinc/15/58/63/569155863.db2.gz OEYNHAXOTFKXNN-SFHVURJKSA-N 1 0 405.542 3.867 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875221 569162055 /nfs/dbraw/zinc/16/20/55/569162055.db2.gz AOXTZJPERMEUKV-LEWJYISDSA-N 1 0 413.587 3.897 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000006875480 569163061 /nfs/dbraw/zinc/16/30/61/569163061.db2.gz WAZDEYWLRCMYRY-MAODMQOUSA-N 1 0 411.571 3.649 50 0 HHAARO CCOCCCNC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000006877458 569164341 /nfs/dbraw/zinc/16/43/41/569164341.db2.gz HHIRBKULJVWRKA-MRXNPFEDSA-N 1 0 404.580 3.704 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3C(=O)CSc4ccccc43)cc2)C1 ZINC000036390941 569166617 /nfs/dbraw/zinc/16/66/17/569166617.db2.gz KKKUBGVROLMNTJ-SFHVURJKSA-N 1 0 423.582 3.674 50 0 HHAARO CC(C)(CNC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[NH+]1CCCCC1 ZINC000036395611 569169165 /nfs/dbraw/zinc/16/91/65/569169165.db2.gz OOEFXSLAMPQMAZ-UHFFFAOYSA-N 1 0 412.500 3.802 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(OCC(C)C)cc2)[NH+](C)C)cc1OC ZINC000006937108 569185269 /nfs/dbraw/zinc/18/52/69/569185269.db2.gz HJNXNAUWRVRJEM-FQEVSTJZSA-N 1 0 400.519 3.771 50 0 HHAARO OCC[C@H]1CCCC[N@@H+]1C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006940171 569185549 /nfs/dbraw/zinc/18/55/49/569185549.db2.gz DZYHFIDFXUNEFW-FGZHOGPDSA-N 1 0 405.485 3.669 50 0 HHAARO O=C(NCC[NH+]1CCCCC1)c1ccc(NC(=O)C2CC2)cc1N1CCCCCC1 ZINC000065166053 569189677 /nfs/dbraw/zinc/18/96/77/569189677.db2.gz YMEVEJHIKKVWHP-UHFFFAOYSA-N 1 0 412.578 3.631 50 0 HHAARO CC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1 ZINC000007000452 569197197 /nfs/dbraw/zinc/19/71/97/569197197.db2.gz ICSKPMJFAAPEKQ-UHFFFAOYSA-N 1 0 406.461 3.933 50 0 HHAARO Cn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000036616448 569207469 /nfs/dbraw/zinc/20/74/69/569207469.db2.gz JMAQJEOZWFDKSV-UHFFFAOYSA-N 1 0 419.529 3.963 50 0 HHAARO C[NH+](C)CCNC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c21 ZINC000036618392 569209996 /nfs/dbraw/zinc/20/99/96/569209996.db2.gz CQMREFVOQGEASB-UHFFFAOYSA-N 1 0 404.445 3.987 50 0 HHAARO COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)NC4CC[NH+](C)CC4)c32)cc1 ZINC000036619018 569210389 /nfs/dbraw/zinc/21/03/89/569210389.db2.gz WUDFBXBGOWOTDZ-UHFFFAOYSA-N 1 0 406.486 3.600 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000065501307 569232607 /nfs/dbraw/zinc/23/26/07/569232607.db2.gz UUMXZWDWIFEJLJ-QHCPKHFHSA-N 1 0 406.574 3.724 50 0 HHAARO O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000065533807 569234498 /nfs/dbraw/zinc/23/44/98/569234498.db2.gz HYJFLJKEQCUWTP-HXUWFJFHSA-N 1 0 416.569 3.990 50 0 HHAARO COc1ccc([C@H](CN2CCCC2)[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC000170595422 569241413 /nfs/dbraw/zinc/24/14/13/569241413.db2.gz IIKJLPYIJHMAMQ-QFIPXVFZSA-N 1 0 403.567 3.679 50 0 HHAARO O=C1[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCN1c1ccccc1C(F)(F)F ZINC000170597911 569242203 /nfs/dbraw/zinc/24/22/03/569242203.db2.gz SSEARHHEKROFID-KRWDZBQOSA-N 1 0 404.436 3.596 50 0 HHAARO CC(C)C[N@H+](CC(=O)NC1CCOCC1)C(C)(C)c1ccc(Br)cc1 ZINC000170601221 569243269 /nfs/dbraw/zinc/24/32/69/569243269.db2.gz ACRBFZLDPNHVSI-UHFFFAOYSA-N 1 0 411.384 3.937 50 0 HHAARO COC[C@@](C)([NH2+]C[C@H](CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1 ZINC000252493896 569290737 /nfs/dbraw/zinc/29/07/37/569290737.db2.gz NGBKYQCQZOFVHC-GBXCKJPGSA-N 1 0 413.562 3.916 50 0 HHAARO C[NH+](C)CCNC(=O)c1cc2sc(Br)cc2n1Cc1cccc(F)c1 ZINC000037542709 569305270 /nfs/dbraw/zinc/30/52/70/569305270.db2.gz MRUBVHRNIKYXKQ-UHFFFAOYSA-N 1 0 424.339 3.944 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002234547 569320567 /nfs/dbraw/zinc/32/05/67/569320567.db2.gz GXQMSWKNMKTJBC-GASCZTMLSA-N 1 0 401.507 3.660 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000002325820 569375370 /nfs/dbraw/zinc/37/53/70/569375370.db2.gz JRYJPEHYWQAAEV-UHFFFAOYSA-N 1 0 421.497 3.740 50 0 HHAARO Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000225420991 569395792 /nfs/dbraw/zinc/39/57/92/569395792.db2.gz LRAADKDNNOIIOU-ISKFKSNPSA-N 1 0 408.590 3.862 50 0 biogenic HHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000007946577 569402855 /nfs/dbraw/zinc/40/28/55/569402855.db2.gz PBTIMQFMLWWGJU-UHFFFAOYSA-N 1 0 413.587 3.759 50 0 HHAARO CC[C@H](C(=O)Nc1cccc(OC)c1)[NH+]1CCC(C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000013353469 569411287 /nfs/dbraw/zinc/41/12/87/569411287.db2.gz SOYKFOSHRMINEH-JBYIUTFZSA-N 1 0 415.578 3.629 50 0 HHAARO Cc1noc(-c2ccc(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)s2)c1C ZINC000013353352 569411313 /nfs/dbraw/zinc/41/13/13/569411313.db2.gz VNZQGSYKYKTAAW-UHFFFAOYSA-N 1 0 409.577 3.659 50 0 HHAARO Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000079049262 569425446 /nfs/dbraw/zinc/42/54/46/569425446.db2.gz YAKPYUJQCYPTJC-VXKWHMMOSA-N 1 0 401.510 3.783 50 0 HHAARO C[NH+](C)CCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000039844289 571134613 /nfs/dbraw/zinc/13/46/13/571134613.db2.gz BQMAHMJVNGQXDP-UHFFFAOYSA-N 1 0 403.479 3.677 50 0 HHAARO O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893228 571143157 /nfs/dbraw/zinc/14/31/57/571143157.db2.gz VFOIKTOLPIPINS-FQEVSTJZSA-N 1 0 403.592 3.788 50 0 HHAARO C[NH+](C)CCN(CCc1ccccc1)C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000069739696 571242153 /nfs/dbraw/zinc/24/21/53/571242153.db2.gz ABQFAVCMQJBPEN-UHFFFAOYSA-N 1 0 422.573 3.951 50 0 HHAARO O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000009950172 571291438 /nfs/dbraw/zinc/29/14/38/571291438.db2.gz YPUZRDBXXCZXJE-UHFFFAOYSA-N 1 0 404.514 3.972 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000010333767 571300640 /nfs/dbraw/zinc/30/06/40/571300640.db2.gz YRKNOWPNBXUQSV-NRFANRHFSA-N 1 0 409.917 3.529 50 0 HHAARO Cc1cccc(CN2CCN(C(=O)C[NH+]3CCC(Nc4ccccc4C)CC3)CC2)c1 ZINC000071867372 571303913 /nfs/dbraw/zinc/30/39/13/571303913.db2.gz MXVKMILTTJBOSA-UHFFFAOYSA-N 1 0 420.601 3.524 50 0 HHAARO Cc1ccccc1NC(=O)Nc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000077200571 571313047 /nfs/dbraw/zinc/31/30/47/571313047.db2.gz RILZCKRGLCQDIT-UHFFFAOYSA-N 1 0 402.502 3.751 50 0 HHAARO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1C[C@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000020512953 571314634 /nfs/dbraw/zinc/31/46/34/571314634.db2.gz ZZKQJUKBPXSOSS-QLVMHMETSA-N 1 0 415.415 3.976 50 0 HHAARO COc1ccccc1[C@@H]1[C@@H]2C[N@H+](Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N ZINC000033335970 571316238 /nfs/dbraw/zinc/31/62/38/571316238.db2.gz YOBAKVZRCNETJJ-ISKFKSNPSA-N 1 0 421.504 3.621 50 0 HHAARO CN1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)[C@H]3CC=CCC3)CC2)CC1 ZINC000011667500 962158096 /nfs/dbraw/zinc/15/80/96/962158096.db2.gz RDVOZRBFHPDWKJ-QHCPKHFHSA-N 1 0 410.606 3.573 50 0 HHAARO Cc1ccc2[nH]c(C(=O)NC[C@H]3CCC4(CC[NH+](Cc5ccncc5)CC4)O3)cc2c1 ZINC000011783005 962188647 /nfs/dbraw/zinc/18/86/47/962188647.db2.gz UONHVQOMXXTMQT-OAQYLSRUSA-N 1 0 418.541 3.815 50 0 HHAARO O=C1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)cc1F ZINC000011790595 962190996 /nfs/dbraw/zinc/19/09/96/962190996.db2.gz OIJLGTLONXJEGA-OAQYLSRUSA-N 1 0 417.475 3.807 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011841543 962200430 /nfs/dbraw/zinc/20/04/30/962200430.db2.gz MQNXGIKAHITOPP-OAQYLSRUSA-N 1 0 414.569 3.522 50 0 HHAARO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C3)c1 ZINC000011995946 962220985 /nfs/dbraw/zinc/22/09/85/962220985.db2.gz LWHZBPGVISUMPF-CVDCTZTESA-N 1 0 424.516 3.908 50 0 HHAARO Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](CC[C@H](C)c4ccccc4)CC3)O2)n(C)n1 ZINC000012135789 962244469 /nfs/dbraw/zinc/24/44/69/962244469.db2.gz LMWHMDYKNKMUFL-SIKLNZKXSA-N 1 0 424.589 3.666 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cccc(-n3cccn3)c2)c(OC)c1 ZINC000012306588 962269257 /nfs/dbraw/zinc/26/92/57/962269257.db2.gz AQNRILWSWLJIQR-UHFFFAOYSA-N 1 0 403.486 3.912 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000012314897 962270478 /nfs/dbraw/zinc/27/04/78/962270478.db2.gz BSZMVQVHOMYKRN-QFIPXVFZSA-N 1 0 423.532 3.665 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012373193 962273906 /nfs/dbraw/zinc/27/39/06/962273906.db2.gz NYBDCEWUCXHPMD-DEOSSOPVSA-N 1 0 400.611 3.864 50 0 HHAARO CCCCn1c(CN(C)CC[C@@H](C)[NH+]2CCCC2)cnc1S(=O)(=O)CC1CCC1 ZINC000012445478 962280409 /nfs/dbraw/zinc/28/04/09/962280409.db2.gz NPYGAIVRFLYIHX-LJQANCHMSA-N 1 0 424.655 3.563 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc3[nH]cnc3c2)C1 ZINC000012447104 962280582 /nfs/dbraw/zinc/28/05/82/962280582.db2.gz ZRISKDZBQBHVQL-SFHVURJKSA-N 1 0 406.530 3.598 50 0 HHAARO CCc1nc(C)c(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2OC)C3)[nH]1 ZINC000012440646 962280977 /nfs/dbraw/zinc/28/09/77/962280977.db2.gz ABJDURDDKUAGKB-DEOSSOPVSA-N 1 0 412.578 3.786 50 0 HHAARO COc1cc(C[N@@H+]2CCCN(c3nc(C)c4cc(C)c(C)cc4n3)CC2)ccc1O ZINC000012450636 962282479 /nfs/dbraw/zinc/28/24/79/962282479.db2.gz KDYQUTFVLUZIPT-UHFFFAOYSA-N 1 0 406.530 3.982 50 0 HHAARO COCc1ccc(CN2CCOc3ccc(C[N@H+]4CCC[C@H](COC)C4)cc3C2)o1 ZINC000012454058 962282707 /nfs/dbraw/zinc/28/27/07/962282707.db2.gz PTZCBTQBEPOFFK-FQEVSTJZSA-N 1 0 414.546 3.679 50 0 HHAARO Cc1cc(C)n([C@@H](C)C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)n1 ZINC000012459386 962284375 /nfs/dbraw/zinc/28/43/75/962284375.db2.gz ZTDJXOJPWTXLMQ-IBGZPJMESA-N 1 0 400.542 3.613 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000012577903 962296217 /nfs/dbraw/zinc/29/62/17/962296217.db2.gz YMYFCRZLUJSJGX-FQEVSTJZSA-N 1 0 405.970 3.573 50 0 HHAARO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012577907 962296363 /nfs/dbraw/zinc/29/63/63/962296363.db2.gz HVQDQGOLDTVFMF-NRFANRHFSA-N 1 0 420.532 3.972 50 0 HHAARO CCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)CCc1ccccn1)C2 ZINC000014535017 962524945 /nfs/dbraw/zinc/52/49/45/962524945.db2.gz RJPNDOYIAIJCBS-OAQYLSRUSA-N 1 0 423.605 3.736 50 0 HHAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014733158 962563383 /nfs/dbraw/zinc/56/33/83/962563383.db2.gz NNUHDZLTNDQLHG-UHFFFAOYSA-N 1 0 421.541 3.642 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014741612 962566484 /nfs/dbraw/zinc/56/64/84/962566484.db2.gz BLMVWKQXQZGSPX-GOSISDBHSA-N 1 0 400.592 3.970 50 0 HHAARO CSCC[NH2+][C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000014976207 962617754 /nfs/dbraw/zinc/61/77/54/962617754.db2.gz FSMIRVVKDYXHFX-MRXNPFEDSA-N 1 0 411.596 3.608 50 0 HHAARO CN1CCC([N@H+](C)Cc2cccc(OC[C@@H]3CCCN(C(=O)C4CCC4)C3)c2)CC1 ZINC000014994832 962621546 /nfs/dbraw/zinc/62/15/46/962621546.db2.gz NLFFEDKZIDTECK-OAQYLSRUSA-N 1 0 413.606 3.630 50 0 HHAARO CN(Cc1ccccc1)C1(C[NH2+]Cc2cccc(OCCO)c2)Cc2ccccc2C1 ZINC000019221069 963357335 /nfs/dbraw/zinc/35/73/35/963357335.db2.gz OVHBYDAQTUSOMZ-UHFFFAOYSA-N 1 0 416.565 3.817 50 0 HHAARO OCC[C@@H]1CN(Cc2ccc3cccc(F)c3n2)CC[N@@H+]1CCCc1ccccc1 ZINC000020998360 963410227 /nfs/dbraw/zinc/41/02/27/963410227.db2.gz XPRKJELSUPIVKB-HSZRJFAPSA-N 1 0 407.533 3.875 50 0 HHAARO c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000022892535 963735037 /nfs/dbraw/zinc/73/50/37/963735037.db2.gz IKZCRIPTDBJGOX-UHFFFAOYSA-N 1 0 418.541 3.946 50 0 HHAARO O=C1CC[C@H](N2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1F ZINC000023359048 963806986 /nfs/dbraw/zinc/80/69/86/963806986.db2.gz SNBDJDAOXPDRLC-NRFANRHFSA-N 1 0 405.533 3.796 50 0 HHAARO c1ccc(CCC[N@@H+]2CCC[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cc1 ZINC000023359075 963807129 /nfs/dbraw/zinc/80/71/29/963807129.db2.gz GAAXCNYMVQFBCH-XMMPIXPASA-N 1 0 421.585 3.630 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)cc1OC ZINC000023373545 963810925 /nfs/dbraw/zinc/81/09/25/963810925.db2.gz XQXQNWZVUHJGFH-IBGZPJMESA-N 1 0 408.546 3.719 50 0 HHAARO COc1ccc2[nH+]c(C)cc(N3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)c2c1 ZINC000033466740 966407633 /nfs/dbraw/zinc/40/76/33/966407633.db2.gz UAIGPSNNVLNZEM-GDNBJRDFSA-N 1 0 423.538 3.675 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000039509982 966495349 /nfs/dbraw/zinc/49/53/49/966495349.db2.gz AAEKLLNHPOWZGU-WOJBJXKFSA-N 1 0 419.997 3.802 50 0 HHAARO CCn1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c3cccc(C)c3n2)cn1 ZINC000063882041 966986722 /nfs/dbraw/zinc/98/67/22/966986722.db2.gz OEYDLHGFJVSADV-LJQANCHMSA-N 1 0 403.530 3.737 50 0 HHAARO O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000098003246 969184492 /nfs/dbraw/zinc/18/44/92/969184492.db2.gz XFXVSRIMEZAMTE-MGYADMTCSA-N 1 0 403.526 3.780 50 0 HHAARO Cc1oc2c(c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1)CN(Cc1cccc(F)c1)CC2 ZINC000169750497 970468275 /nfs/dbraw/zinc/46/82/75/970468275.db2.gz OFHVAAPHTISKJI-QGZVFWFLSA-N 1 0 413.537 3.747 50 0 HHAARO COc1ccc(C(=O)N2CCC([N@@H+]3C[C@H](OCC4CC4)C34CCCCC4)CC2)cn1 ZINC000169787010 970481941 /nfs/dbraw/zinc/48/19/41/970481941.db2.gz XBCMGJOQYOUFEN-NRFANRHFSA-N 1 0 413.562 3.509 50 0 HHAARO O=S(=O)(c1c[nH]cn1)N1CCC([N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 ZINC000169791402 970482955 /nfs/dbraw/zinc/48/29/55/970482955.db2.gz DTZBZXKXBOWDGR-OAQYLSRUSA-N 1 0 414.575 3.570 50 0 HHAARO CC(C)C[N@@H+]1CC[C@]2(CO)CN(C(=O)c3ccccc3COc3ccccc3)C[C@@H]2C1 ZINC000257174418 970615555 /nfs/dbraw/zinc/61/55/55/970615555.db2.gz GRKMZOWOIVVYKR-BKMJKUGQSA-N 1 0 422.569 3.678 50 0 HHAARO Cc1cnc(CO[C@@H]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)C2)n1C ZINC000257176775 970617918 /nfs/dbraw/zinc/61/79/18/970617918.db2.gz URLBUUUQCLPWSR-QGZVFWFLSA-N 1 0 413.909 3.593 50 0 HHAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)CCO2 ZINC000299790776 970723696 /nfs/dbraw/zinc/72/36/96/970723696.db2.gz CNOQIIBAHZDXPB-VWLOTQADSA-N 1 0 410.558 3.590 50 0 HHAARO CCCc1nc2oc3c(ncnc3N3CC[NH+](CC)CC3)c2c2c1COC(C)(C)C2 ZINC000002329616 132252669 /nfs/dbraw/zinc/25/26/69/132252669.db2.gz GYVXUCSAXFZMFA-UHFFFAOYSA-N 1 0 409.534 3.717 50 0 HHAARO CCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1 ZINC000003553090 132266826 /nfs/dbraw/zinc/26/68/26/132266826.db2.gz MJGCRFRYYNGOFS-UHFFFAOYSA-N 1 0 403.910 3.508 50 0 HHAARO O=C(c1cccc2ccccc21)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697944 132349983 /nfs/dbraw/zinc/34/99/83/132349983.db2.gz AUIVDAGGUFYZRX-UHFFFAOYSA-N 1 0 410.481 3.731 50 0 HHAARO O=C(COc1ccc2ccccc2c1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000011853274 132351305 /nfs/dbraw/zinc/35/13/05/132351305.db2.gz OPFCYRMJAPPGJC-UHFFFAOYSA-N 1 0 403.526 3.547 50 0 HHAARO FC(F)(F)c1ccc(N2CCC[C@H]([NH2+]C3CCN(Cc4ccccn4)CC3)C2)nc1 ZINC000011872952 132351647 /nfs/dbraw/zinc/35/16/47/132351647.db2.gz VYUOFMDVSFBEJO-FQEVSTJZSA-N 1 0 419.495 3.718 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c(C)c2)CC1 ZINC000012608053 132365066 /nfs/dbraw/zinc/36/50/66/132365066.db2.gz ASFFNOZJVWRGNJ-HSZRJFAPSA-N 1 0 423.557 3.947 50 0 HHAARO CC(=O)N1CCC([N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)nc2)CC1 ZINC000020586784 519511403 /nfs/dbraw/zinc/51/14/03/519511403.db2.gz LJYRHOWTJXDMTI-JOCHJYFZSA-N 1 0 422.529 3.678 50 0 HHAARO CC(C)C[NH+]1CCN(C(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 ZINC000032579025 519723656 /nfs/dbraw/zinc/72/36/56/519723656.db2.gz MEQDRLVDZPQJHT-UHFFFAOYSA-N 1 0 420.513 3.583 50 0 HHAARO CC(C)c1ccc(N2C[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000040428081 519836752 /nfs/dbraw/zinc/83/67/52/519836752.db2.gz OQDDZKJLDUIAKO-JOCHJYFZSA-N 1 0 419.569 3.944 50 0 HHAARO CCN(CC)c1nnc(-n2cccc2C[NH2+]CCc2ccc(OC)cc2OC)s1 ZINC000020576677 520935044 /nfs/dbraw/zinc/93/50/44/520935044.db2.gz XIRLWHSXJFIOPP-UHFFFAOYSA-N 1 0 415.563 3.525 50 0 HHAARO CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000045271037 521678893 /nfs/dbraw/zinc/67/88/93/521678893.db2.gz AEXCLAVAFSFAHT-SFHVURJKSA-N 1 0 411.015 3.594 50 0 HHAARO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857013 522532245 /nfs/dbraw/zinc/53/22/45/522532245.db2.gz KHMZHSQPMMSAIE-NRFANRHFSA-N 1 0 400.544 3.567 50 0 HHAARO CCc1nn2c(ncc3c2ccn(CCC[NH+](C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397417 522711702 /nfs/dbraw/zinc/71/17/02/522711702.db2.gz RDDFYFOARYJUHL-UHFFFAOYSA-N 1 0 409.921 3.879 50 0 HHAARO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857014 522783419 /nfs/dbraw/zinc/78/34/19/522783419.db2.gz KHMZHSQPMMSAIE-OAQYLSRUSA-N 1 0 400.544 3.567 50 0 HHAARO COc1ccc(Br)c(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000032399445 523477551 /nfs/dbraw/zinc/47/75/51/523477551.db2.gz PLVLIAXCQYOLEQ-UHFFFAOYSA-N 1 0 403.320 3.636 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccccc1Cl ZINC000032930748 524115342 /nfs/dbraw/zinc/11/53/42/524115342.db2.gz WIWOWBWOIGCIAR-QGZVFWFLSA-N 1 0 413.949 3.761 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)[NH+]1CCCC1 ZINC000032902431 524733673 /nfs/dbraw/zinc/73/36/73/524733673.db2.gz QJKPUTBLZSBBGT-QGZVFWFLSA-N 1 0 423.435 3.598 50 0 HHAARO COc1ccc(OC)c2c1cc(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)n2C ZINC000072400806 524922608 /nfs/dbraw/zinc/92/26/08/524922608.db2.gz NQPRODYJVJZPBE-UHFFFAOYSA-N 1 0 407.514 3.590 50 0 HHAARO COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2C[NH+]2CCC(O)CC2)c1 ZINC000072419613 525728502 /nfs/dbraw/zinc/72/85/02/525728502.db2.gz LBDAIXRQFVZGMT-UHFFFAOYSA-N 1 0 408.498 3.884 50 0 HHAARO O=C1c2ccccc2C(=O)N1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000029630948 527130005 /nfs/dbraw/zinc/13/00/05/527130005.db2.gz GSPDPTRQJAVCIP-UHFFFAOYSA-N 1 0 417.431 3.514 50 0 HHAARO Cn1ccnc1COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044958785 527437868 /nfs/dbraw/zinc/43/78/68/527437868.db2.gz VGSPPOVFTXMYPS-UHFFFAOYSA-N 1 0 418.541 3.915 50 0 HHAARO CCOc1ccc([C@H](O)Cn2c3ccccc3n(CC[NH+]3CCCCC3)c2=N)cc1 ZINC000000845916 557099562 /nfs/dbraw/zinc/09/95/62/557099562.db2.gz MKHUUMRWZZFAQU-HSZRJFAPSA-N 1 0 408.546 3.540 50 0 HHAARO Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc2c1CC[N@H+](CC1CC1)C2 ZINC000071890372 557314891 /nfs/dbraw/zinc/31/48/91/557314891.db2.gz LDDKDVAIJHJTCT-UHFFFAOYSA-N 1 0 405.477 3.735 50 0 HHAARO COCC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2cccn2C)C[C@@H]1c1cccc(F)c1 ZINC000034740488 557443805 /nfs/dbraw/zinc/44/38/05/557443805.db2.gz VTNILQFEDOEAIB-NZQKXSOJSA-N 1 0 415.553 3.511 50 0 HHAARO COc1ccccc1[N+]1=C2CCCCCN2C[C@]1(O)c1ccc(OC(F)F)cc1 ZINC000004528521 557563888 /nfs/dbraw/zinc/56/38/88/557563888.db2.gz GQNSAXVQPKHBSN-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO CCOc1c(Cl)c(Cl)ccc1S(=O)(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000004667034 557578922 /nfs/dbraw/zinc/57/89/22/557578922.db2.gz FOHQZHZDYGDEOI-UHFFFAOYSA-N 1 0 409.379 3.980 50 0 HHAARO O=C(C1CC[NH+](Cc2cccs2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004725550 557587238 /nfs/dbraw/zinc/58/72/38/557587238.db2.gz HELKXUKYXWYUMC-XBXARRHUSA-N 1 0 409.599 3.818 50 0 HHAARO Cc1cc(Br)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000005041362 557628616 /nfs/dbraw/zinc/62/86/16/557628616.db2.gz JSBRFQSNYXQDKW-UHFFFAOYSA-N 1 0 403.386 3.653 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)[NH+](C)C)cc1 ZINC000022684239 557766776 /nfs/dbraw/zinc/76/67/76/557766776.db2.gz FLEJKNYKLONWHG-OAQYLSRUSA-N 1 0 406.530 3.959 50 0 HHAARO CCOc1cc(C[NH2+]Cc2cccnc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000009356190 557838847 /nfs/dbraw/zinc/83/88/47/557838847.db2.gz DWRUAHVVPSDYTR-UHFFFAOYSA-N 1 0 402.458 3.538 50 0 HHAARO Cc1c(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000010691328 558259941 /nfs/dbraw/zinc/25/99/41/558259941.db2.gz UNWZRYGLMIONRB-UHFFFAOYSA-N 1 0 404.514 3.723 50 0 HHAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011706258 558270772 /nfs/dbraw/zinc/27/07/72/558270772.db2.gz PRLKWGCKHYEYAG-HSZRJFAPSA-N 1 0 409.574 3.925 50 0 HHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000011704784 558270810 /nfs/dbraw/zinc/27/08/10/558270810.db2.gz OJBGQDBVLRNHQS-FQEVSTJZSA-N 1 0 412.603 3.518 50 0 HHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2nc3cc(Cl)ccc3[nH]2)c1 ZINC000011789702 558277187 /nfs/dbraw/zinc/27/71/87/558277187.db2.gz IGQVLXGDVLGBOG-QGZVFWFLSA-N 1 0 412.921 3.896 50 0 HHAARO O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000011791348 558277463 /nfs/dbraw/zinc/27/74/63/558277463.db2.gz RRVWRRANJGHBQX-OAQYLSRUSA-N 1 0 413.949 3.608 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(CO)o2)CC1)c1ccccc1Cl ZINC000011817047 558280352 /nfs/dbraw/zinc/28/03/52/558280352.db2.gz FSUIKEKFHPXTDI-UHFFFAOYSA-N 1 0 414.893 3.711 50 0 HHAARO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1CCc1ccccc1 ZINC000019792503 558283312 /nfs/dbraw/zinc/28/33/12/558283312.db2.gz LSHMMYOHQJABAR-QFIPXVFZSA-N 1 0 407.583 3.921 50 0 HHAARO Cc1c(CN2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792880 558283578 /nfs/dbraw/zinc/28/35/78/558283578.db2.gz ROGAGCPNPOPAMI-HSZRJFAPSA-N 1 0 404.558 3.581 50 0 HHAARO Cc1ccc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)o1 ZINC000011820985 558284260 /nfs/dbraw/zinc/28/42/60/558284260.db2.gz VNBWIOZIMCZESS-UHFFFAOYSA-N 1 0 405.498 3.956 50 0 HHAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 ZINC000019872510 558299776 /nfs/dbraw/zinc/29/97/76/558299776.db2.gz XUXCUJYBPNTDDZ-UHFFFAOYSA-N 1 0 408.882 3.719 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1cnn(C(C)C)c1 ZINC000011949894 558302821 /nfs/dbraw/zinc/30/28/21/558302821.db2.gz KJAFDQCPLDMBTR-UHFFFAOYSA-N 1 0 416.541 3.604 50 0 HHAARO C[NH+]1CCC(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)(c2ccccc2)CC1 ZINC000011954594 558303370 /nfs/dbraw/zinc/30/33/70/558303370.db2.gz VUOVPTGPSWPJRB-JOCHJYFZSA-N 1 0 409.549 3.570 50 0 HHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000019924935 558307681 /nfs/dbraw/zinc/30/76/81/558307681.db2.gz CFUXHNZAIVTBNF-UHFFFAOYSA-N 1 0 405.464 3.643 50 0 HHAARO COc1ccc2[nH]c(C(=O)N(C)[C@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2c1 ZINC000012022971 558309726 /nfs/dbraw/zinc/30/97/26/558309726.db2.gz CNSWBOOMQXSKLS-FQEVSTJZSA-N 1 0 403.526 3.880 50 0 HHAARO COCCN(C(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1)C(C)C ZINC000012073781 558318703 /nfs/dbraw/zinc/31/87/03/558318703.db2.gz VJKNJYXJWFYHSK-UHFFFAOYSA-N 1 0 418.578 3.978 50 0 HHAARO Cc1nc(CN(C)Cc2cccc(OC[C@H](O)C[NH+]3CCCCCC3)c2)cs1 ZINC000012090862 558324182 /nfs/dbraw/zinc/32/41/82/558324182.db2.gz QOMFGLIOHUMGQS-OAQYLSRUSA-N 1 0 403.592 3.699 50 0 HHAARO COc1ccc(CC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012111861 558326342 /nfs/dbraw/zinc/32/63/42/558326342.db2.gz GOUNFHCRMUQGIR-XMMPIXPASA-N 1 0 414.590 3.900 50 0 HHAARO CCn1ncc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109475 558334693 /nfs/dbraw/zinc/33/46/93/558334693.db2.gz KQPOQBPHKVAOMU-QFIPXVFZSA-N 1 0 401.986 3.651 50 0 HHAARO CC(=O)c1cccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)c1 ZINC000020236037 558350736 /nfs/dbraw/zinc/35/07/36/558350736.db2.gz XCZXTNPTBSOQFI-UHFFFAOYSA-N 1 0 403.486 3.570 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1cc(C)oc1C ZINC000012223769 558356850 /nfs/dbraw/zinc/35/68/50/558356850.db2.gz SWSAJXTVMGPFOW-UHFFFAOYSA-N 1 0 414.546 3.906 50 0 HHAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[NH2+]CCn1ccc2ccccc21 ZINC000020449171 558364305 /nfs/dbraw/zinc/36/43/05/558364305.db2.gz KJJPBSTYBZMQKM-UHFFFAOYSA-N 1 0 403.530 3.951 50 0 HHAARO Cc1c(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020472438 558374202 /nfs/dbraw/zinc/37/42/02/558374202.db2.gz DHPXLLJFSCFCJR-NRFANRHFSA-N 1 0 424.976 3.892 50 0 HHAARO CCOc1cc2c(cc1OC)[C@H](c1cccc(I)c1)[NH2+]CC2 ZINC000020506553 558381383 /nfs/dbraw/zinc/38/13/83/558381383.db2.gz UPDPAIJDTMGEDP-SFHVURJKSA-N 1 0 409.267 3.934 50 0 HHAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000020998661 558427426 /nfs/dbraw/zinc/42/74/26/558427426.db2.gz XMJLNBZSCFHGRD-QGZVFWFLSA-N 1 0 418.969 3.699 50 0 HHAARO Cc1ccc(-n2cc(C[NH+]3CCC(n4nccc4NC(=O)C4CC4)CC3)cn2)cc1 ZINC000012589984 558435293 /nfs/dbraw/zinc/43/52/93/558435293.db2.gz RONWQJSGASFTHE-UHFFFAOYSA-N 1 0 404.518 3.563 50 0 HHAARO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012593410 558436672 /nfs/dbraw/zinc/43/66/72/558436672.db2.gz AOYUARWXDXOVQF-KRWDZBQOSA-N 1 0 403.906 3.815 50 0 HHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)nc2c1C ZINC000004359385 558451350 /nfs/dbraw/zinc/45/13/50/558451350.db2.gz HWNOWPPPDPNXKP-GOSISDBHSA-N 1 0 411.527 3.648 50 0 HHAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000012713675 558454069 /nfs/dbraw/zinc/45/40/69/558454069.db2.gz YMSCBALECVDQOJ-UHFFFAOYSA-N 1 0 406.534 3.891 50 0 HHAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)Cc1c(F)cccc1Cl ZINC000012757496 558460373 /nfs/dbraw/zinc/46/03/73/558460373.db2.gz LTUDQEBUMLHDOA-UHFFFAOYSA-N 1 0 409.977 3.676 50 0 HHAARO OC1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012758276 558460394 /nfs/dbraw/zinc/46/03/94/558460394.db2.gz IULOTDNHUQHDAW-UHFFFAOYSA-N 1 0 406.482 3.682 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc3c(c2)OCCCO3)[NH+]2CCCCC2)cc1 ZINC000022685688 558504545 /nfs/dbraw/zinc/50/45/45/558504545.db2.gz NSLCUIVZEITFLM-NRFANRHFSA-N 1 0 410.514 3.814 50 0 HHAARO Cc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3nccnc32)cc1 ZINC000022735915 558506864 /nfs/dbraw/zinc/50/68/64/558506864.db2.gz UQUMUBIIMVFXGD-UHFFFAOYSA-N 1 0 411.513 3.794 50 0 HHAARO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022809915 558513975 /nfs/dbraw/zinc/51/39/75/558513975.db2.gz KVVMJHWTUJEWNN-APWZRJJASA-N 1 0 421.010 3.697 50 0 HHAARO O[C@@H](COC(c1ccccc1)c1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022860281 558517522 /nfs/dbraw/zinc/51/75/22/558517522.db2.gz HQTANMYTJJULQY-AREMUKBSSA-N 1 0 416.565 3.971 50 0 HHAARO CN1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860252 558517581 /nfs/dbraw/zinc/51/75/81/558517581.db2.gz UQZPLFLUUGHBOA-FQEVSTJZSA-N 1 0 409.357 3.708 50 0 HHAARO CN(C)c1nc(Cl)c(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)s1 ZINC000022914350 558521089 /nfs/dbraw/zinc/52/10/89/558521089.db2.gz JCNKMFIMNSOLFX-SFHVURJKSA-N 1 0 420.026 3.649 50 0 HHAARO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3cccnc3)C2)cc1OC ZINC000013594956 558546966 /nfs/dbraw/zinc/54/69/66/558546966.db2.gz QHSQMXUGWJUSOH-LJQANCHMSA-N 1 0 405.498 3.984 50 0 HHAARO COc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)CC1 ZINC000023374867 558554396 /nfs/dbraw/zinc/55/43/96/558554396.db2.gz JDAMHLWBJLUCAM-QFIPXVFZSA-N 1 0 418.585 3.974 50 0 HHAARO O=C1c2ccccc2[C@@H]([NH2+]CCCN2CCOCC2)N1[C@@H]1CCCc2ccccc21 ZINC000023504884 558560244 /nfs/dbraw/zinc/56/02/44/558560244.db2.gz ZCEQVZRJMTYIAP-RPWUZVMVSA-N 1 0 405.542 3.531 50 0 HHAARO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023732582 558571858 /nfs/dbraw/zinc/57/18/58/558571858.db2.gz NHBJBKZKRJLECX-IBGZPJMESA-N 1 0 403.979 3.883 50 0 HHAARO Cc1cc2ncn(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)c2cc1C ZINC000023853957 558577936 /nfs/dbraw/zinc/57/79/36/558577936.db2.gz OZANQDJIQJVHIA-UHFFFAOYSA-N 1 0 406.486 3.690 50 0 HHAARO CCOc1cc(C[NH2+]Cc2ccncc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717735 558580232 /nfs/dbraw/zinc/58/02/32/558580232.db2.gz XKTIMIZREZIXGR-UHFFFAOYSA-N 1 0 402.458 3.538 50 0 HHAARO C[NH+]1CCN(C(C)(C)CNC(=O)NCCC(c2ccccc2)c2ccccc2)CC1 ZINC000024667078 558606926 /nfs/dbraw/zinc/60/69/26/558606926.db2.gz RWRRZTDHWMRCNQ-UHFFFAOYSA-N 1 0 408.590 3.534 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1)O[C@@H](C)C2 ZINC000024763089 558611256 /nfs/dbraw/zinc/61/12/56/558611256.db2.gz SFCMUGLNFWUXPT-QFBILLFUSA-N 1 0 402.560 3.633 50 0 HHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2)c1ccc2c(c1)CCCC2 ZINC000014196731 558633628 /nfs/dbraw/zinc/63/36/28/558633628.db2.gz UQBAAAKAGLBXOU-KGLIPLIRSA-N 1 0 411.571 3.892 50 0 HHAARO CSc1ccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2=O)cc1 ZINC000025287798 558636829 /nfs/dbraw/zinc/63/68/29/558636829.db2.gz NBIGYDWDHMZCJE-KNQAVFIVSA-N 1 0 423.582 3.715 50 0 HHAARO C[NH+](C)C1(CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CCCCCC1 ZINC000025443977 558641224 /nfs/dbraw/zinc/64/12/24/558641224.db2.gz ULTADCNCKLFKFS-QGZVFWFLSA-N 1 0 409.983 3.914 50 0 HHAARO C[NH+](C)CC[C@@H](NC(=O)c1ccn(COc2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000072258865 558654466 /nfs/dbraw/zinc/65/44/66/558654466.db2.gz XNYHQVPWFNQOCC-HXUWFJFHSA-N 1 0 414.456 3.621 50 0 HHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014530308 558655548 /nfs/dbraw/zinc/65/55/48/558655548.db2.gz AMHCWVWTOGMGKR-LJQANCHMSA-N 1 0 411.546 3.670 50 0 HHAARO Cc1ccccc1C[NH2+][C@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014536101 558658272 /nfs/dbraw/zinc/65/82/72/558658272.db2.gz TWEYDJYGQYDTOQ-NRFANRHFSA-N 1 0 402.542 3.589 50 0 HHAARO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c2)cc1 ZINC000027145050 558670109 /nfs/dbraw/zinc/67/01/09/558670109.db2.gz VBFUCUGJNNHZNR-UHFFFAOYSA-N 1 0 417.575 3.644 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)Cc1cccs1)C2 ZINC000014751272 558670919 /nfs/dbraw/zinc/67/09/19/558670919.db2.gz ACUFXTKWODORDE-KRWDZBQOSA-N 1 0 400.592 3.970 50 0 HHAARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)c12 ZINC000027608032 558677365 /nfs/dbraw/zinc/67/73/65/558677365.db2.gz OWJOZEKWUJBHCE-GOSISDBHSA-N 1 0 409.559 3.783 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C)cc2)CC1 ZINC000014900027 558678398 /nfs/dbraw/zinc/67/83/98/558678398.db2.gz CHSOOHDEIXHQQY-UHFFFAOYSA-N 1 0 418.545 3.548 50 0 HHAARO COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000027664540 558679644 /nfs/dbraw/zinc/67/96/44/558679644.db2.gz QATKODMGOIIRMB-HXUWFJFHSA-N 1 0 412.530 3.978 50 0 HHAARO O=C(C1CC[NH+](C2CCN(Cc3nc4ccccc4s3)CC2)CC1)N1CCCC1 ZINC000014959230 558683374 /nfs/dbraw/zinc/68/33/74/558683374.db2.gz PLZOLZGYDBANQT-UHFFFAOYSA-N 1 0 412.603 3.595 50 0 HHAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014964118 558685128 /nfs/dbraw/zinc/68/51/28/558685128.db2.gz LFEYNHGUMDTGQU-HSZRJFAPSA-N 1 0 401.510 3.814 50 0 HHAARO Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028035309 558689844 /nfs/dbraw/zinc/68/98/44/558689844.db2.gz JAGVWSSRBFXKJP-UHFFFAOYSA-N 1 0 408.571 3.958 50 0 HHAARO Cc1cnc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000014978801 558690414 /nfs/dbraw/zinc/69/04/14/558690414.db2.gz MNYMXSNDUNATRN-SFHVURJKSA-N 1 0 420.479 3.831 50 0 HHAARO CCOCCCNC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000014980622 558691208 /nfs/dbraw/zinc/69/12/08/558691208.db2.gz NJVRCXGCAWHGLG-UHFFFAOYSA-N 1 0 404.551 3.637 50 0 HHAARO O=C(NCc1cccnc1)c1ccc(N2CCC([NH2+]Cc3cccs3)CC2)cc1 ZINC000014988961 558693553 /nfs/dbraw/zinc/69/35/53/558693553.db2.gz LUZJARVGPZTWLB-UHFFFAOYSA-N 1 0 406.555 3.832 50 0 HHAARO O=C1CC[N@@H+](Cc2ccc3c(c2)OCO3)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000014995560 558696086 /nfs/dbraw/zinc/69/60/86/558696086.db2.gz SUYQHUIRCPCTHC-UHFFFAOYSA-N 1 0 406.404 3.669 50 0 HHAARO CCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)c(C)n1 ZINC000015064864 558707856 /nfs/dbraw/zinc/70/78/56/558707856.db2.gz MUZGYMXCJSMITE-UHFFFAOYSA-N 1 0 410.562 3.881 50 0 HHAARO C[NH+](C)C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971547 558708200 /nfs/dbraw/zinc/70/82/00/558708200.db2.gz JRWNHMFFAXYRSQ-AEFFLSMTSA-N 1 0 403.935 3.562 50 0 HHAARO COc1ccc([C@@H](CC(=O)N2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)cc1 ZINC000015065651 558708565 /nfs/dbraw/zinc/70/85/65/558708565.db2.gz JEXNCZWKAMATON-DEOSSOPVSA-N 1 0 401.510 3.961 50 0 HHAARO Cc1ncc(C[NH+]2CCC(Oc3ccc(C(=O)NCc4ccccn4)cc3)CC2)s1 ZINC000015068389 558710831 /nfs/dbraw/zinc/71/08/31/558710831.db2.gz KVSAERJEYBSCQM-UHFFFAOYSA-N 1 0 422.554 3.820 50 0 HHAARO Cc1ccc(OCc2cc(C(=O)NCC[N@@H+]3CCC[C@H](c4ccccc4)C3)no2)cn1 ZINC000015069333 558711631 /nfs/dbraw/zinc/71/16/31/558711631.db2.gz CKZVSHYEGODUDV-FQEVSTJZSA-N 1 0 420.513 3.566 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](C[C@H]3CC=CCC3)CC2)c(Cl)c1 ZINC000015070599 558712567 /nfs/dbraw/zinc/71/25/67/558712567.db2.gz TWMHQIODQUHYQX-KRWDZBQOSA-N 1 0 406.954 3.916 50 0 HHAARO CCc1cc(CNC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)on1 ZINC000015078659 558717778 /nfs/dbraw/zinc/71/77/78/558717778.db2.gz DDGRJVPSJRJALP-UHFFFAOYSA-N 1 0 420.513 3.605 50 0 HHAARO COc1cc([C@@H]2ON=C(C[NH2+]Cc3ccc(Cl)cc3)[C@@H]2C)c(OC)c2c1OCO2 ZINC000015085720 558720344 /nfs/dbraw/zinc/72/03/44/558720344.db2.gz RFNMMGDMDRSNEJ-KPZWWZAWSA-N 1 0 418.877 3.939 50 0 HHAARO O=C(/C=C/c1ccccc1Br)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000029968763 558725126 /nfs/dbraw/zinc/72/51/26/558725126.db2.gz UXANOHMFASJONV-CMDGGOBGSA-N 1 0 407.352 3.614 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000072308339 558770155 /nfs/dbraw/zinc/77/01/55/558770155.db2.gz OXMJVAXFVCTJCV-CQVCNIOASA-N 1 0 409.618 3.914 50 0 HHAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(O)cc1)N(CCC[NH+](C)C)C3=O ZINC000016742009 558803900 /nfs/dbraw/zinc/80/39/00/558803900.db2.gz ZGCJTSMEYHSXEW-OAQYLSRUSA-N 1 0 406.482 3.612 50 0 HHAARO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000013574597 558844030 /nfs/dbraw/zinc/84/40/30/558844030.db2.gz SREWELXVCFVELC-GPZLUXPBSA-N 1 0 411.590 3.626 50 0 HHAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCCCCC3)c2)C1 ZINC000033035977 558860032 /nfs/dbraw/zinc/86/00/32/558860032.db2.gz UTVVONGCPYEHQT-QFIPXVFZSA-N 1 0 414.594 3.590 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017978 558863099 /nfs/dbraw/zinc/86/30/99/558863099.db2.gz PVKGRKAVVYKXCX-PMACEKPBSA-N 1 0 411.571 3.554 50 0 HHAARO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055074250 558871846 /nfs/dbraw/zinc/87/18/46/558871846.db2.gz AXYPMKCSKIPNNW-QGZVFWFLSA-N 1 0 403.876 3.796 50 0 HHAARO CSc1ccc(CC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055107736 558872812 /nfs/dbraw/zinc/87/28/12/558872812.db2.gz PCDBQGLUVKCZRG-QFIPXVFZSA-N 1 0 409.599 3.764 50 0 HHAARO Cc1ncsc1CCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055281709 558878370 /nfs/dbraw/zinc/87/83/70/558878370.db2.gz FDIYKKQAUGVWHB-HXUWFJFHSA-N 1 0 412.603 3.506 50 0 HHAARO COc1ccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1C ZINC000055325891 558879145 /nfs/dbraw/zinc/87/91/45/558879145.db2.gz JKOGNOBPWWQKOR-QFIPXVFZSA-N 1 0 407.558 3.739 50 0 HHAARO O=C(c1ccccc1OC1CC[NH+](Cc2cccc3nonc32)CC1)N1CCCCC1 ZINC000055342516 558879663 /nfs/dbraw/zinc/87/96/63/558879663.db2.gz JCOOSFTXHBZNHF-UHFFFAOYSA-N 1 0 420.513 3.892 50 0 HHAARO Cc1cccc(N2CC[NH+](CC[C@H](C)NCc3csc(-c4ncccn4)n3)CC2)c1 ZINC000057992866 558893270 /nfs/dbraw/zinc/89/32/70/558893270.db2.gz OPWBSVGAIRGHIH-IBGZPJMESA-N 1 0 422.602 3.599 50 0 HHAARO COCCC[N@@H+]1CCc2nc(SCc3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1 ZINC000033141653 558893309 /nfs/dbraw/zinc/89/33/09/558893309.db2.gz AVRRGNPSAJNDKA-UHFFFAOYSA-N 1 0 413.465 3.888 50 0 HHAARO Cc1ccsc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004688781 558899060 /nfs/dbraw/zinc/89/90/60/558899060.db2.gz FNIHLGZDZGVADG-QNICDLNXSA-N 1 0 417.619 3.687 50 0 HHAARO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000004703986 558913469 /nfs/dbraw/zinc/91/34/69/558913469.db2.gz RVFPGXPFDRXHGZ-UHFFFAOYSA-N 1 0 413.543 3.817 50 0 HHAARO CC(C)(C)OC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([NH3+])[C@@H]2OCc1cccnc1 ZINC000072168235 558930482 /nfs/dbraw/zinc/93/04/82/558930482.db2.gz QGFQRYGVDYHEIG-RTWAWAEBSA-N 1 0 409.530 3.949 50 0 HHAARO Fc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000019595658 558946102 /nfs/dbraw/zinc/94/61/02/558946102.db2.gz SCFVVOFWRWKQKG-HSZRJFAPSA-N 1 0 419.548 3.798 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915081 558971672 /nfs/dbraw/zinc/97/16/72/558971672.db2.gz VOYWHIUYUMJRRO-SFHVURJKSA-N 1 0 420.557 3.737 50 0 HHAARO OC[C@]1(O)CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C1 ZINC000072434397 558979862 /nfs/dbraw/zinc/97/98/62/558979862.db2.gz JJDSZQQAZDKSEI-DEOSSOPVSA-N 1 0 408.929 3.973 50 0 HHAARO COc1ccc(C[N@@H+](Cc2cc(=O)n3c(C)csc3n2)CC(C)C)cc1OC ZINC000033068969 558980466 /nfs/dbraw/zinc/98/04/66/558980466.db2.gz GULBMSSKJHAORS-UHFFFAOYSA-N 1 0 401.532 3.740 50 0 HHAARO O[C@H]1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)C[C@@H]1O ZINC000072456726 558983106 /nfs/dbraw/zinc/98/31/06/558983106.db2.gz PWFOGNNAXYIVQQ-GOTSBHOMSA-N 1 0 408.929 3.971 50 0 HHAARO O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000067602134 558987865 /nfs/dbraw/zinc/98/78/65/558987865.db2.gz IWWJNABSKNYOMP-UHFFFAOYSA-N 1 0 410.905 3.918 50 0 HHAARO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000067613297 558989111 /nfs/dbraw/zinc/98/91/11/558989111.db2.gz WZAMPHQZOAAKBE-UHFFFAOYSA-N 1 0 410.905 3.918 50 0 HHAARO COc1cc2ncc(CN3CCN(c4ccc(C(C)=O)cc4F)CC3)cc2c(OC)c1 ZINC000097159058 558997593 /nfs/dbraw/zinc/99/75/93/558997593.db2.gz VTCUBMSIQXWMII-UHFFFAOYSA-N 1 0 423.488 3.916 50 0 HHAARO Cc1c2cc(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)ccc2[nH]c1-c1ccccc1F ZINC000077408206 559004420 /nfs/dbraw/zinc/00/44/20/559004420.db2.gz YFZIEQDVXHZUHS-INIZCTEOSA-N 1 0 409.505 3.867 50 0 HHAARO COc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000023127657 559016037 /nfs/dbraw/zinc/01/60/37/559016037.db2.gz SVXFUTCZEHYCMH-UHFFFAOYSA-N 1 0 408.951 3.539 50 0 HHAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082107187 559038484 /nfs/dbraw/zinc/03/84/84/559038484.db2.gz SJBCSPYSNIUPRR-HSZRJFAPSA-N 1 0 423.576 3.861 50 0 HHAARO CC(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082108347 559038661 /nfs/dbraw/zinc/03/86/61/559038661.db2.gz OREGTQIBNICXQW-HSZRJFAPSA-N 1 0 412.622 3.653 50 0 HHAARO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082139247 559040869 /nfs/dbraw/zinc/04/08/69/559040869.db2.gz AIEYWUUNZPCUFT-HSZRJFAPSA-N 1 0 410.606 3.765 50 0 HHAARO CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000004784108 559062956 /nfs/dbraw/zinc/06/29/56/559062956.db2.gz PAGYGLFOHMKESE-FQEVSTJZSA-N 1 0 420.553 3.951 50 0 HHAARO COc1ccc([C@@H]2[C@@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@@H+]2C)cc1 ZINC000072289683 559077697 /nfs/dbraw/zinc/07/76/97/559077697.db2.gz UYCUZMNLVLTQNF-WIYYLYMNSA-N 1 0 420.550 3.926 50 0 HHAARO CN(Cc1nccs1)Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000095527028 559086170 /nfs/dbraw/zinc/08/61/70/559086170.db2.gz KKKQHXVFBSQARH-FQEVSTJZSA-N 1 0 403.592 3.779 50 0 HHAARO Cc1cccc2nc(C(=O)N3CCC4(CC3)C[C@@H](c3ccccc3)C[N@@H+](C)C4)cn21 ZINC000096136162 559095543 /nfs/dbraw/zinc/09/55/43/559095543.db2.gz CCELZQFVLMHBPK-OAQYLSRUSA-N 1 0 402.542 3.984 50 0 HHAARO CCOc1ccccc1N1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000023466483 559175828 /nfs/dbraw/zinc/17/58/28/559175828.db2.gz SKKKFWFOKFFSKZ-URXFXBBRSA-N 1 0 410.558 3.662 50 0 HHAARO CCn1c(C)cc(O)c([C@H](c2ccccc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1=O ZINC000024022762 559187848 /nfs/dbraw/zinc/18/78/48/559187848.db2.gz ZNUPVPXZFVJZME-DEOSSOPVSA-N 1 0 421.516 3.933 50 0 HHAARO CC(C)(C)[C@@H]1CCCC2=C1[NH2+]N(c1nc(C(N)=S)cs1)[C@@]2(O)C(F)(F)F ZINC000033436058 559192506 /nfs/dbraw/zinc/19/25/06/559192506.db2.gz OSUFIZIKVFXQCL-XWRVAKJBSA-N 1 0 406.499 3.667 50 0 HHAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)o1 ZINC000005042706 559236156 /nfs/dbraw/zinc/23/61/56/559236156.db2.gz VEQUYCBKIWIAQD-UHFFFAOYSA-N 1 0 418.559 3.558 50 0 HHAARO CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000248216662 559268944 /nfs/dbraw/zinc/26/89/44/559268944.db2.gz GKXKHLBIZXSMRO-YWTNCRKHSA-N 1 0 417.638 3.582 50 0 HHAARO COC[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537338 559278339 /nfs/dbraw/zinc/27/83/39/559278339.db2.gz KYRLKKDTSBXEHV-ACRUOGEOSA-N 1 0 408.464 3.618 50 0 HHAARO COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CC[NH+](C)CC3)n2)c1 ZINC000061997337 560564958 /nfs/dbraw/zinc/56/49/58/560564958.db2.gz IBKXJKQVFASTGB-UHFFFAOYSA-N 1 0 401.470 3.712 50 0 HHAARO CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCCC4)CC1 ZINC000005340012 560567294 /nfs/dbraw/zinc/56/72/94/560567294.db2.gz HPICVCVXAJKXSX-UHFFFAOYSA-N 1 0 422.598 3.917 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000046688606 560803913 /nfs/dbraw/zinc/80/39/13/560803913.db2.gz JYSIQEILCUVNTE-GOSISDBHSA-N 1 0 401.511 3.589 50 0 HHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000103356785 560840907 /nfs/dbraw/zinc/84/09/07/560840907.db2.gz LIFATGKQRGBHTA-UTKZUKDTSA-N 1 0 407.514 3.986 50 0 HHAARO CC(=O)N[C@@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000048325189 568438485 /nfs/dbraw/zinc/43/84/85/568438485.db2.gz FUIFTEFFDDYBPW-FCHUYYIVSA-N 1 0 413.949 3.861 50 0 HHAARO C[NH+](C)CCN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000048313577 568439136 /nfs/dbraw/zinc/43/91/36/568439136.db2.gz QEGSNQHVJVWSQO-UHFFFAOYSA-N 1 0 405.322 3.885 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(I)c1 ZINC000048342037 568440489 /nfs/dbraw/zinc/44/04/89/568440489.db2.gz PKBIZQBWCZSHGQ-CQSZACIVSA-N 1 0 400.304 3.676 50 0 HHAARO Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000048355068 568441396 /nfs/dbraw/zinc/44/13/96/568441396.db2.gz XAIHYNMIVFMAHX-HUUCEWRRSA-N 1 0 412.513 3.563 50 0 HHAARO CCCn1c2ccccc2n(CCC(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1=O ZINC000048355892 568441619 /nfs/dbraw/zinc/44/16/19/568441619.db2.gz LHWALDVLZXUKGT-UHFFFAOYSA-N 1 0 422.573 3.760 50 0 HHAARO Cc1sc2nc(CN3CCOCC3)nc(NC[C@@H](C)[NH+]3CCC(C)CC3)c2c1C ZINC000048375430 568442422 /nfs/dbraw/zinc/44/24/22/568442422.db2.gz PIYYXOUBSUQFMU-MRXNPFEDSA-N 1 0 417.623 3.673 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000008132889 568491288 /nfs/dbraw/zinc/49/12/88/568491288.db2.gz ICVCRWSKEOSDMK-OAQYLSRUSA-N 1 0 424.545 3.867 50 0 HHAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccccc2C)CC1 ZINC000020107606 568588103 /nfs/dbraw/zinc/58/81/03/568588103.db2.gz RYKNQNDAGYESOJ-UHFFFAOYSA-N 1 0 400.592 3.815 50 0 HHAARO COc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2cccs2)cc1 ZINC000020107818 568588130 /nfs/dbraw/zinc/58/81/30/568588130.db2.gz ZOJMWVKBQJOXIZ-UHFFFAOYSA-N 1 0 418.632 3.593 50 0 HHAARO C[NH+]1CCN(Cc2c(-c3ccccc3)nnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000020365743 568601280 /nfs/dbraw/zinc/60/12/80/568601280.db2.gz YPQUQKZKHXGKBG-UHFFFAOYSA-N 1 0 401.436 3.701 50 0 HHAARO O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000020415944 568606139 /nfs/dbraw/zinc/60/61/39/568606139.db2.gz ZQVGYDHQQOVOGP-UHFFFAOYSA-N 1 0 403.530 3.754 50 0 HHAARO CC[C@@H](O)C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 ZINC000095443123 568611143 /nfs/dbraw/zinc/61/11/43/568611143.db2.gz WZYITKXFJSVTIT-HXUWFJFHSA-N 1 0 420.573 3.951 50 0 HHAARO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)Cc2ccccc2Br)cc1 ZINC000095456459 568617635 /nfs/dbraw/zinc/61/76/35/568617635.db2.gz BYJXGCWZUWJDJV-FQEVSTJZSA-N 1 0 417.347 3.954 50 0 HHAARO CCC[C@@H]1CN(C(=O)c2cnn(-c3ccccn3)c2CC)CC[N@@H+]1Cc1ccccc1 ZINC000095463283 568622004 /nfs/dbraw/zinc/62/20/04/568622004.db2.gz XBWRVUKLPLISAR-OAQYLSRUSA-N 1 0 417.557 3.956 50 0 HHAARO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000095482573 568634669 /nfs/dbraw/zinc/63/46/69/568634669.db2.gz RJBIFEQKBDNYGI-UHFFFAOYSA-N 1 0 410.905 3.918 50 0 HHAARO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000095483646 568635017 /nfs/dbraw/zinc/63/50/17/568635017.db2.gz QHCXVSALLYBLFZ-CBPXPLCBSA-N 1 0 414.505 3.813 50 0 aggregator HHAARO COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424947 568636970 /nfs/dbraw/zinc/63/69/70/568636970.db2.gz KOLIAGFBCDOCRP-UGSOOPFHSA-N 1 0 406.885 3.910 50 0 HHAARO COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424983 568637039 /nfs/dbraw/zinc/63/70/39/568637039.db2.gz KOLIAGFBCDOCRP-ACJLOTCBSA-N 1 0 406.885 3.910 50 0 HHAARO CC1CC[NH+](CCCNC(=O)c2ccc(/C=C3\Oc4ccccc4NC3=O)cc2)CC1 ZINC000020730390 568640977 /nfs/dbraw/zinc/64/09/77/568640977.db2.gz JDKBPWWNRSQOIJ-QJOMJCCJSA-N 1 0 419.525 3.910 50 0 HHAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000020851321 568644972 /nfs/dbraw/zinc/64/49/72/568644972.db2.gz GDTTTXLZGUUOSB-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO C[N@H+](CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1)C1CCCCC1 ZINC000020865567 568646476 /nfs/dbraw/zinc/64/64/76/568646476.db2.gz IETIKCXTQAXYHJ-UHFFFAOYSA-N 1 0 416.591 3.517 50 0 HHAARO COC(=O)[C@@H]1CCCCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000095941465 568662183 /nfs/dbraw/zinc/66/21/83/568662183.db2.gz FLZVHNUJTMWTCM-UKRRQHHQSA-N 1 0 408.296 3.711 50 0 HHAARO CC[C@H]([NH2+]CCOC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000096199292 568666264 /nfs/dbraw/zinc/66/62/64/568666264.db2.gz PTVCIRKYPLDLPL-KRWDZBQOSA-N 1 0 416.319 3.835 50 0 HHAARO O=C(Cc1ccc(N2CCC([NH2+]CCc3ccco3)CC2)cc1)NCc1ccccc1 ZINC000014983834 568696579 /nfs/dbraw/zinc/69/65/79/568696579.db2.gz YABHPPAURSIPNM-UHFFFAOYSA-N 1 0 417.553 3.940 50 0 HHAARO CCC[NH+]1CCN(C(=O)C[C@H](c2ccc(C)cc2)N2Cc3ccccc3C2=O)CC1 ZINC000021530711 568710792 /nfs/dbraw/zinc/71/07/92/568710792.db2.gz ILNYNZHZPSMQSE-HSZRJFAPSA-N 1 0 405.542 3.636 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000229686940 568714989 /nfs/dbraw/zinc/71/49/89/568714989.db2.gz HBNNDWATDWCNGP-WOJBJXKFSA-N 1 0 413.512 3.820 50 0 HHAARO C[C@H](C(=O)NCc1ccco1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000096287052 568719385 /nfs/dbraw/zinc/71/93/85/568719385.db2.gz PANNZZHCCSBAHB-HXUWFJFHSA-N 1 0 403.526 3.692 50 0 HHAARO CSc1ncc(C[NH+]2CCC(CCC(=O)N3CCc4ccccc4C3)CC2)cn1 ZINC000012430252 568722337 /nfs/dbraw/zinc/72/23/37/568722337.db2.gz QRGZALZAMYOYIZ-UHFFFAOYSA-N 1 0 410.587 3.776 50 0 HHAARO CN(C)[C@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000238923877 568727321 /nfs/dbraw/zinc/72/73/21/568727321.db2.gz PWWCFNUGDXYVCG-MRXNPFEDSA-N 1 0 404.388 3.845 50 0 HHAARO CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)SC)CCN(C(=O)OC(C)(C)C)CC1 ZINC000241231271 568731061 /nfs/dbraw/zinc/73/10/61/568731061.db2.gz KTLOIURAZNKMFX-HNNXBMFYSA-N 1 0 402.601 3.687 50 0 HHAARO Cn1cc([C@@H](CNS(=O)(=O)Cc2ccccc2Cl)[NH+](C)C)c2ccccc21 ZINC000021696106 568739721 /nfs/dbraw/zinc/73/97/21/568739721.db2.gz JDYHPGCIJOKVIX-HXUWFJFHSA-N 1 0 405.951 3.554 50 0 HHAARO Cn1cc([C@H](CNS(=O)(=O)c2cccc3ccccc32)[NH+](C)C)c2ccccc21 ZINC000021696126 568739729 /nfs/dbraw/zinc/73/97/29/568739729.db2.gz IXZHUVYHYQRUBI-QFIPXVFZSA-N 1 0 407.539 3.913 50 0 HHAARO Cn1cc([C@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)[NH+](C)C)c2ccccc21 ZINC000021696131 568739745 /nfs/dbraw/zinc/73/97/45/568739745.db2.gz JYNIBNLCMVCVCV-IBGZPJMESA-N 1 0 409.914 3.552 50 0 HHAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)[NH+](C)C)c2ccccc21 ZINC000021696133 568739835 /nfs/dbraw/zinc/73/98/35/568739835.db2.gz JYNIBNLCMVCVCV-LJQANCHMSA-N 1 0 409.914 3.552 50 0 HHAARO Cn1cc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)[NH+](C)C)c2ccccc21 ZINC000021696139 568739841 /nfs/dbraw/zinc/73/98/41/568739841.db2.gz RAHTWHHNWLETGE-HSZRJFAPSA-N 1 0 411.571 3.638 50 0 HHAARO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)ccc1OC(F)F ZINC000021865540 568755660 /nfs/dbraw/zinc/75/56/60/568755660.db2.gz XLTPMNWKBJRJIB-UHFFFAOYSA-N 1 0 405.445 3.609 50 0 HHAARO COc1ccc(CC2(CO)CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000012457830 568755959 /nfs/dbraw/zinc/75/59/59/568755959.db2.gz BLJKGGOIKGJVPA-UHFFFAOYSA-N 1 0 409.505 3.837 50 0 HHAARO CC1CC[NH+](Cc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)CC1 ZINC000021880762 568757081 /nfs/dbraw/zinc/75/70/81/568757081.db2.gz JNPRNZJOESTUTM-UHFFFAOYSA-N 1 0 422.602 3.887 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3c(F)cccc3F)c(C)c2)CC1 ZINC000056170312 568790639 /nfs/dbraw/zinc/79/06/39/568790639.db2.gz MIBYCEMNQJYRSY-INIZCTEOSA-N 1 0 402.489 3.854 50 0 HHAARO COc1ccc(-c2nnc(SCC[NH2+]C[C@H](O)c3ccccc3)n2C(C)C)cc1 ZINC000002639100 568793071 /nfs/dbraw/zinc/79/30/71/568793071.db2.gz PAXXBCBXXNJBOP-FQEVSTJZSA-N 1 0 412.559 3.950 50 0 HHAARO C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029095485 568819148 /nfs/dbraw/zinc/81/91/48/568819148.db2.gz HKMSOGYERZKQGD-LLVKDONJSA-N 1 0 401.732 3.613 50 0 HHAARO CCOc1ccc(C2(CNC(=O)NC[C@H](C)C[NH+]3CCCCC3)CCOCC2)cc1 ZINC000056952791 568822224 /nfs/dbraw/zinc/82/22/24/568822224.db2.gz ZKHAKBCKYWAIBG-FQEVSTJZSA-N 1 0 417.594 3.555 50 0 HHAARO CC[C@@H](C)c1ccc([C@@H]([NH2+]CC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455980 568837846 /nfs/dbraw/zinc/83/78/46/568837846.db2.gz WCBDYUKMTXXBEI-XXBNENTESA-N 1 0 409.578 3.626 50 0 HHAARO C[C@@H]([NH2+]CCSc1nccn1C)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 ZINC000012580312 568864096 /nfs/dbraw/zinc/86/40/96/568864096.db2.gz CDNNXNKCPHLNCK-LLVKDONJSA-N 1 0 417.585 3.890 50 0 HHAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000012611647 568871636 /nfs/dbraw/zinc/87/16/36/568871636.db2.gz UPNLGEOSJVTQEN-LBPRGKRZSA-N 1 0 423.307 3.764 50 0 HHAARO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)c1 ZINC000012611649 568871648 /nfs/dbraw/zinc/87/16/48/568871648.db2.gz UPNLGEOSJVTQEN-GFCCVEGCSA-N 1 0 423.307 3.764 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052989 568872347 /nfs/dbraw/zinc/87/23/47/568872347.db2.gz ZQODDIMANSGQIW-BZPMIXESSA-N 1 0 421.173 3.929 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)C3 ZINC000299768137 568874014 /nfs/dbraw/zinc/87/40/14/568874014.db2.gz GKPNNWHLTJIBRE-MRXNPFEDSA-N 1 0 421.570 3.861 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)NCc1cccnc1OC1CCCC1 ZINC000031102791 568913822 /nfs/dbraw/zinc/91/38/22/568913822.db2.gz LMUGHZZYTXKAHF-UHFFFAOYSA-N 1 0 408.546 3.998 50 0 HHAARO C[C@]1(C(=O)OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(Br)Br ZINC000004028002 568934031 /nfs/dbraw/zinc/93/40/31/568934031.db2.gz AUIXAFHEMKPMJV-OUCADQQQSA-N 1 0 409.162 3.690 50 0 biogenic HHAARO C[C@]1(O)N(CCOC23CC4CC(CC(C4)C2)C3)C(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000004168404 568948076 /nfs/dbraw/zinc/94/80/76/568948076.db2.gz ATDSJDRTYBFROH-MKXGGMHASA-N 1 0 420.594 3.812 50 0 HHAARO O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008133662 568976379 /nfs/dbraw/zinc/97/63/79/568976379.db2.gz KWXJHAOXOSJBKF-UHFFFAOYSA-N 1 0 413.905 3.550 50 0 HHAARO CCc1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)[NH+](C)C)cc1 ZINC000012797631 568976432 /nfs/dbraw/zinc/97/64/32/568976432.db2.gz RGAMGITUBPYRQM-FCHUYYIVSA-N 1 0 413.537 3.562 50 0 HHAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(O)c1 ZINC000008373810 568995691 /nfs/dbraw/zinc/99/56/91/568995691.db2.gz GYJIKZSVKGJYOI-IBGZPJMESA-N 1 0 412.873 3.649 50 0 HHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000008389213 568996589 /nfs/dbraw/zinc/99/65/89/568996589.db2.gz VSQUHFUUDYDCMA-QFIPXVFZSA-N 1 0 423.520 3.939 50 0 HHAARO CC[C@H]1C[N@H+](CCC(=O)N[C@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000104404768 569008468 /nfs/dbraw/zinc/00/84/68/569008468.db2.gz YEXCSVRASVCNKZ-PBHICJAKSA-N 1 0 403.548 3.701 50 0 HHAARO CCOc1ccccc1CN1CCN(C/C=C/c2ccc(OC)cc2)C[C@H]1CCO ZINC000105272272 569009122 /nfs/dbraw/zinc/00/91/22/569009122.db2.gz XUWLTMUIQIJSIZ-BMOUEYTDSA-N 1 0 410.558 3.676 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000035398343 569035159 /nfs/dbraw/zinc/03/51/59/569035159.db2.gz IRPYDTSOVCACHZ-UHFFFAOYSA-N 1 0 423.605 3.988 50 0 HHAARO CCOC(=O)c1[nH]c(C)c(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000035447482 569037367 /nfs/dbraw/zinc/03/73/67/569037367.db2.gz QCQKOXHVIMHHGO-UHFFFAOYSA-N 1 0 411.546 3.522 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)NCCC[NH+](C)C)cc1 ZINC000006497257 569061383 /nfs/dbraw/zinc/06/13/83/569061383.db2.gz AIPGMQHAMRSRQO-QINSGFPZSA-N 1 0 404.514 3.629 50 0 HHAARO COCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(C)c2)CC1 ZINC000064666616 569078414 /nfs/dbraw/zinc/07/84/14/569078414.db2.gz LTHJGBOKQVDANR-UHFFFAOYSA-N 1 0 419.569 3.973 50 0 HHAARO CCC[NH+](CCC)C[C@@H](O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 ZINC000006720715 569098937 /nfs/dbraw/zinc/09/89/37/569098937.db2.gz WAARBNAKZHQIEZ-OAQYLSRUSA-N 1 0 404.576 3.673 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808394 569132571 /nfs/dbraw/zinc/13/25/71/569132571.db2.gz SSWOVLRBMHFTRC-UHFFFAOYSA-N 1 0 406.573 3.554 50 0 HHAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340798 569141471 /nfs/dbraw/zinc/14/14/71/569141471.db2.gz VPISIIBXDVHUJC-NRFANRHFSA-N 1 0 414.569 3.750 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343534 569143080 /nfs/dbraw/zinc/14/30/80/569143080.db2.gz FBETVJZYXYHBBY-VWLOTQADSA-N 1 0 418.585 3.927 50 0 HHAARO C[C@@H](Oc1ccc(-c2cnc3ccccc3n2)cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000065031758 569157568 /nfs/dbraw/zinc/15/75/68/569157568.db2.gz IKBWCODKSATGDS-LJQANCHMSA-N 1 0 418.541 3.912 50 0 HHAARO CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2cccc(C)c2)CC1 ZINC000006877667 569164620 /nfs/dbraw/zinc/16/46/20/569164620.db2.gz JJAXRQMEIPQDAY-UHFFFAOYSA-N 1 0 414.594 3.962 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCCNC(=O)c2ccsc2)C1 ZINC000036395378 569168753 /nfs/dbraw/zinc/16/87/53/569168753.db2.gz ADAHXZOVQFKCGT-GOSISDBHSA-N 1 0 413.587 3.806 50 0 HHAARO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH+]1CCCCCC1 ZINC000006908095 569178725 /nfs/dbraw/zinc/17/87/25/569178725.db2.gz CEBGZODEGCZEDM-UHFFFAOYSA-N 1 0 404.580 3.607 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(OCC(C)C)cc2)[NH+](C)C)cc1OC ZINC000006937112 569185254 /nfs/dbraw/zinc/18/52/54/569185254.db2.gz HJNXNAUWRVRJEM-HXUWFJFHSA-N 1 0 400.519 3.771 50 0 HHAARO CSc1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C(F)(F)F)n1 ZINC000006938365 569185291 /nfs/dbraw/zinc/18/52/91/569185291.db2.gz RCIBADDPADQHRT-UHFFFAOYSA-N 1 0 410.465 3.612 50 0 HHAARO Cc1cccc(C)c1-n1ncc(C(=O)NCCc2ccsc2)c1C1CC[NH2+]CC1 ZINC000007000490 569197349 /nfs/dbraw/zinc/19/73/49/569197349.db2.gz AQSKWITVKJQGIV-UHFFFAOYSA-N 1 0 408.571 3.990 50 0 HHAARO c1cc(N2CCCCCC2)ncc1-c1noc(CN2CC[NH+](C3CCCCC3)CC2)n1 ZINC000065216244 569197722 /nfs/dbraw/zinc/19/77/22/569197722.db2.gz WBZRMLUAKUMUFK-UHFFFAOYSA-N 1 0 424.593 3.962 50 0 HHAARO Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000065321305 569224162 /nfs/dbraw/zinc/22/41/62/569224162.db2.gz CKZRCPUBQXQMKC-UHFFFAOYSA-N 1 0 408.502 3.802 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000065492780 569232370 /nfs/dbraw/zinc/23/23/70/569232370.db2.gz QMSFHZMUMDOXKD-HXUWFJFHSA-N 1 0 410.537 3.616 50 0 HHAARO O=C(C[NH+]1CCC(c2cc3ccccc3[nH]2)CC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000065533812 569234505 /nfs/dbraw/zinc/23/45/05/569234505.db2.gz HYJFLJKEQCUWTP-FQEVSTJZSA-N 1 0 416.569 3.990 50 0 HHAARO Brc1ccc(C[NH2+][C@H]2CCOc3ccccc32)c(N2CCOCC2)c1 ZINC000170591552 569240575 /nfs/dbraw/zinc/24/05/75/569240575.db2.gz PBWOJQVNKGIXFE-SFHVURJKSA-N 1 0 403.320 3.899 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2c(C)cnc3c(OC)cccc32)CC1 ZINC000170604900 569243975 /nfs/dbraw/zinc/24/39/75/569243975.db2.gz PDROGPXDAAUUGD-UHFFFAOYSA-N 1 0 412.578 3.616 50 0 HHAARO COc1ccc([C@@H]([NH2+]CCn2ccnc2)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 ZINC000170606801 569244759 /nfs/dbraw/zinc/24/47/59/569244759.db2.gz LCQZLOFGCQDHQS-VQTJNVASSA-N 1 0 400.523 3.622 50 0 HHAARO CC(C)(C)OC(=O)Nc1cccc(CN2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1 ZINC000089694233 569262563 /nfs/dbraw/zinc/26/25/63/569262563.db2.gz LUZRVGXPXUTUET-JOCHJYFZSA-N 1 0 411.546 3.885 50 0 HHAARO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2 ZINC000002115019 569284464 /nfs/dbraw/zinc/28/44/64/569284464.db2.gz BVCMOJHQNDYZII-HOTGVXAUSA-N 1 0 420.303 3.839 50 0 biogenic HHAARO CCNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000252444160 569286044 /nfs/dbraw/zinc/28/60/44/569286044.db2.gz GVTCJQIUCKSRAQ-UGKGYDQZSA-N 1 0 423.513 3.572 50 0 HHAARO COC[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537341 569293009 /nfs/dbraw/zinc/29/30/09/569293009.db2.gz KYRLKKDTSBXEHV-NJYVYQBISA-N 1 0 408.464 3.618 50 0 HHAARO O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000170676734 569297890 /nfs/dbraw/zinc/29/78/90/569297890.db2.gz QNHVVUFWZKRNEG-UHFFFAOYSA-N 1 0 411.358 3.670 50 0 HHAARO [NH2+]=C1Nc2nc3cc4c(cc3n2C2(CCC(c3ccccc3)CC2)N1)OCCCO4 ZINC000007738309 569305132 /nfs/dbraw/zinc/30/51/32/569305132.db2.gz NJOGYWNDBJISSL-UHFFFAOYSA-N 1 0 403.486 3.758 50 0 HHAARO C[NH+](C)CCCn1c2sc3c(c2c(=O)n(-c2ccc(F)cc2)c1=O)CCCCC3 ZINC000002223831 569313385 /nfs/dbraw/zinc/31/33/85/569313385.db2.gz QPOXRLNCTDNXQN-UHFFFAOYSA-N 1 0 415.534 3.574 50 0 HHAARO Cc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(Cl)cc1Br ZINC000231422281 569359752 /nfs/dbraw/zinc/35/97/52/569359752.db2.gz JRTSABAGBPYAHA-UHFFFAOYSA-N 1 0 423.804 3.998 50 0 HHAARO CC1(C)CCC[N@H+](CC(=O)N2CCc3[nH]c4ccc(Br)cc4c3C2)C1 ZINC000002310144 569372817 /nfs/dbraw/zinc/37/28/17/569372817.db2.gz SZGXHZNUQUZZEZ-UHFFFAOYSA-N 1 0 404.352 3.937 50 0 HHAARO COC(=O)c1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(OC)cc3)C2)cc1 ZINC000055182722 569392681 /nfs/dbraw/zinc/39/26/81/569392681.db2.gz XFTGIUVHKCGTJK-QFIPXVFZSA-N 1 0 410.558 3.868 50 0 HHAARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4C[C@@]5(C)CN(C)C[C@@](C)(C4)C5)[C@H]3C=C12 ZINC000012656039 569402456 /nfs/dbraw/zinc/40/24/56/569402456.db2.gz FIPCGZHKEIMIJW-YFWWOXJYSA-N 1 0 400.607 3.964 50 0 biogenic HHAARO COc1ccc(CNC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000079024395 569424630 /nfs/dbraw/zinc/42/46/30/569424630.db2.gz JJYFSVXSZXCTHI-QUCCMNQESA-N 1 0 402.560 3.741 50 0 HHAARO CCOc1c(F)cccc1C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000079026005 569424919 /nfs/dbraw/zinc/42/49/19/569424919.db2.gz YLJJQYSXDGBWDT-QFIPXVFZSA-N 1 0 414.521 3.742 50 0 HHAARO CCCC[N@H+](CC)Cc1cccc(CNS(=O)(=O)c2cc(OC)ccc2OC)c1 ZINC000079092315 569427076 /nfs/dbraw/zinc/42/70/76/569427076.db2.gz VPSIUWPYNHUNFD-UHFFFAOYSA-N 1 0 420.575 3.804 50 0 HHAARO CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008619699 571096523 /nfs/dbraw/zinc/09/65/23/571096523.db2.gz BNEGSXFLQWONTO-QFIPXVFZSA-N 1 0 420.509 3.997 50 0 HHAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1nccnc1-c1nc2ccccc2s1 ZINC000008778266 571118515 /nfs/dbraw/zinc/11/85/15/571118515.db2.gz CXCHDJUPYZTQEY-INIZCTEOSA-N 1 0 419.510 3.913 50 0 HHAARO CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000040012823 571138411 /nfs/dbraw/zinc/13/84/11/571138411.db2.gz WCIOAKZLHYWJQW-HXUWFJFHSA-N 1 0 401.551 3.587 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000040107139 571167630 /nfs/dbraw/zinc/16/76/30/571167630.db2.gz GHMFPEPEBYQPBT-GOSISDBHSA-N 1 0 414.571 3.536 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1cccnc1 ZINC000009328279 571248269 /nfs/dbraw/zinc/24/82/69/571248269.db2.gz UXQQYEXAGGMUCK-NRFANRHFSA-N 1 0 405.498 3.692 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cccnc1 ZINC000009328276 571248317 /nfs/dbraw/zinc/24/83/17/571248317.db2.gz UXQQYEXAGGMUCK-OAQYLSRUSA-N 1 0 405.498 3.692 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNc3nn4cc(C(C)(C)C)nc4s3)cc2)CC1 ZINC000069982269 571252481 /nfs/dbraw/zinc/25/24/81/571252481.db2.gz RZJJOBQRYHSENP-UHFFFAOYSA-N 1 0 412.607 3.838 50 0 HHAARO CC[NH+](CC)CCN(C(=O)Cc1ccc2c(c1)OCO2)c1nc2ccccc2s1 ZINC000009520943 571265688 /nfs/dbraw/zinc/26/56/88/571265688.db2.gz DJEXRHAEFWWEAJ-UHFFFAOYSA-N 1 0 411.527 3.943 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000010100651 571294954 /nfs/dbraw/zinc/29/49/54/571294954.db2.gz UBFQPLWRBFHEEZ-UHFFFAOYSA-N 1 0 416.525 3.584 50 0 HHAARO CCOc1cccc2c1OC1(CC[NH+](C)CC1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 ZINC000010214424 571296863 /nfs/dbraw/zinc/29/68/63/571296863.db2.gz CXEDLZKMBBJOOW-LJQANCHMSA-N 1 0 421.497 3.779 50 0 HHAARO COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000010233153 571297543 /nfs/dbraw/zinc/29/75/43/571297543.db2.gz RNHDBBGKQGFRKK-QFIPXVFZSA-N 1 0 420.509 3.915 50 0 HHAARO COc1ccccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334202 571300858 /nfs/dbraw/zinc/30/08/58/571300858.db2.gz FOYIGQDNKVGXQK-JOCHJYFZSA-N 1 0 417.509 3.740 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000006173210 960865569 /nfs/dbraw/zinc/86/55/69/960865569.db2.gz UZHWCMAGQNDQDI-SDQBBNPISA-N 1 0 410.470 3.566 50 0 HHAARO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cccn4-c4ccccn4)[N@@H+]4CCC[C@@]34C2=O)o1 ZINC000011668208 962158798 /nfs/dbraw/zinc/15/87/98/962158798.db2.gz IIOYNGSMAXLYKZ-XZOYJPPVSA-N 1 0 402.498 3.712 50 0 HHAARO C[NH+](C)CCOc1cccc(CN(Cc2ccccn2)C(=O)Cc2ccc(F)cc2)c1 ZINC000011838800 962201358 /nfs/dbraw/zinc/20/13/58/962201358.db2.gz VTJBTXPRFPRNQL-UHFFFAOYSA-N 1 0 421.516 3.933 50 0 HHAARO CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C3)c1 ZINC000011995945 962220486 /nfs/dbraw/zinc/22/04/86/962220486.db2.gz LWHZBPGVISUMPF-WMZHIEFXSA-N 1 0 424.516 3.908 50 0 HHAARO CC[NH+](CC)CCN(C)C(=O)c1sc2ncnc(NCc3ccco3)c2c1C ZINC000012185511 962249912 /nfs/dbraw/zinc/24/99/12/962249912.db2.gz ABRFVMPUWIKJIK-UHFFFAOYSA-N 1 0 401.536 3.619 50 0 HHAARO O=C(c1ccco1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000012210115 962253675 /nfs/dbraw/zinc/25/36/75/962253675.db2.gz GLYZFWSCPRCOSF-QFIPXVFZSA-N 1 0 412.530 3.966 50 0 HHAARO COc1cccc(N2C[C@@H]3C[C@@H](c4ccc(OC)c(OC)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012571985 962293609 /nfs/dbraw/zinc/29/36/09/962293609.db2.gz ZVPLYRIOCTWLAC-REIDKSKDSA-N 1 0 408.498 3.655 50 0 HHAARO Cc1ccn(CC(=O)N2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)n1 ZINC000012596139 962299088 /nfs/dbraw/zinc/29/90/88/962299088.db2.gz NYFSLSZYUSUTSE-HXUWFJFHSA-N 1 0 400.954 3.606 50 0 HHAARO CN(C(=O)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1)[C@H]1CCOC1 ZINC000012612989 962301942 /nfs/dbraw/zinc/30/19/42/962301942.db2.gz NJPAHDCDNKKFQD-SFHVURJKSA-N 1 0 406.954 3.987 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1ccc(F)c(F)c1)CC2 ZINC000014536774 962525282 /nfs/dbraw/zinc/52/52/82/962525282.db2.gz OQOCPGKUEJIHPJ-GOSISDBHSA-N 1 0 424.495 3.559 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]CCc1c[nH]c3ccccc13)C2 ZINC000014746811 962567573 /nfs/dbraw/zinc/56/75/73/962567573.db2.gz HYCVOVFSSVDFIH-IBGZPJMESA-N 1 0 419.573 3.700 50 0 HHAARO CCOc1ccc2nc(N3CCC[C@H]([NH2+]Cc4cnn(CC)c4)CC3)nc(C)c2c1 ZINC000014953639 962613071 /nfs/dbraw/zinc/61/30/71/962613071.db2.gz XSMOMBTZJUNJTL-IBGZPJMESA-N 1 0 408.550 3.702 50 0 HHAARO Cc1csc(C[N@@H+](C)[C@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000014965740 962614803 /nfs/dbraw/zinc/61/48/03/962614803.db2.gz WMDDMEQNLBPIGF-HNNXBMFYSA-N 1 0 421.950 3.847 50 0 HHAARO CSCC[NH2+][C@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000014976210 962617334 /nfs/dbraw/zinc/61/73/34/962617334.db2.gz FSMIRVVKDYXHFX-INIZCTEOSA-N 1 0 411.596 3.608 50 0 HHAARO Cc1cnc(C[NH2+][C@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c43)C2)cn1 ZINC000015071096 962647563 /nfs/dbraw/zinc/64/75/63/962647563.db2.gz QRJHFUKJIFEOHL-KRWDZBQOSA-N 1 0 423.586 3.784 50 0 HHAARO CCCCn1c(CN(C)CCc2ccccc2)cnc1S(=O)(=O)CC1CCC1 ZINC000020536102 963389401 /nfs/dbraw/zinc/38/94/01/963389401.db2.gz NCRIAAYHYOMDNF-UHFFFAOYSA-N 1 0 403.592 3.932 50 0 HHAARO c1nn(-c2ccccc2)cc1CN1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000020908875 963403157 /nfs/dbraw/zinc/40/31/57/963403157.db2.gz XMMHMPYAMMSWSM-VWLOTQADSA-N 1 0 401.558 3.659 50 0 HHAARO Cc1c(C[NH2+][C@H]2CCCN(CCCc3ccccc3)C2)c2ccccc2n1CC(N)=O ZINC000022851604 963729366 /nfs/dbraw/zinc/72/93/66/963729366.db2.gz GPMSHUJIWCEFST-QFIPXVFZSA-N 1 0 418.585 3.622 50 0 HHAARO c1ccc(OCc2noc(CN3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000023375209 963810645 /nfs/dbraw/zinc/81/06/45/963810645.db2.gz VKZUDVCZJZMBNX-UHFFFAOYSA-N 1 0 408.546 3.735 50 0 HHAARO C[C@H]1C[N@H+](CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000039510070 966495415 /nfs/dbraw/zinc/49/54/15/966495415.db2.gz GEAJAEVKGHTLRC-JXFKEZNVSA-N 1 0 402.922 3.505 50 0 HHAARO C[C@H](c1ccon1)[N@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000042628380 966813467 /nfs/dbraw/zinc/81/34/67/966813467.db2.gz YOHOSSXKWIEJSP-UKRRQHHQSA-N 1 0 405.882 3.631 50 0 HHAARO CS[C@@H]1CN(C(=O)/C=C/c2csc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000095939720 969041207 /nfs/dbraw/zinc/04/12/07/969041207.db2.gz SIDZCRPAPUBGQE-OOPLNXAUSA-N 1 0 401.395 3.562 50 0 HHAARO O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000096011739 969041427 /nfs/dbraw/zinc/04/14/27/969041427.db2.gz IGRNSXPILTUZPA-JTPHSUOKSA-N 1 0 416.468 3.574 50 0 HHAARO CCOc1ccccc1/C=C\C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000097073384 969087344 /nfs/dbraw/zinc/08/73/44/969087344.db2.gz QUBBCURFVWRKFZ-YPKPFQOOSA-N 1 0 407.558 3.552 50 0 HHAARO COc1cccc(/C=C\C(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1OC(F)F ZINC000229758656 970132328 /nfs/dbraw/zinc/13/23/28/970132328.db2.gz BSUVPYGAVYPETB-YUIUBULTSA-N 1 0 402.441 3.825 50 0 HHAARO c1csc(C[N@@H+]2CC[C@@H](Oc3ccccc3-c3nc(-c4cnccn4)no3)C2)c1 ZINC000257183536 970619802 /nfs/dbraw/zinc/61/98/02/970619802.db2.gz HPMSXFNQLMMWKM-OAHLLOKOSA-N 1 0 405.483 3.908 50 0 HHAARO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(C(=O)c2sc(C)nc2C)CC1 ZINC000257185211 970620582 /nfs/dbraw/zinc/62/05/82/970620582.db2.gz JIRVPRIDLUQNGN-UHFFFAOYSA-N 1 0 410.543 3.527 50 0 HHAARO CCC(=O)N1C[C@@H]2CCC[N@@H+]3CCC[C@H]([C@H]1CCCC(=O)NCc1ccccc1)[C@H]23 ZINC000257195645 970626133 /nfs/dbraw/zinc/62/61/33/970626133.db2.gz WOLXEDKRNDHKSB-OUMCCJGNSA-N 1 0 411.590 3.585 50 0 HHAARO O=c1c2c(nc(N3CC[NH2+]CC3)n1-c1cccc(Cl)c1)sc1c2CCCCC1 ZINC000002229826 132250000 /nfs/dbraw/zinc/25/00/00/132250000.db2.gz JQLLEKNEKUUEGZ-UHFFFAOYSA-N 1 0 414.962 3.779 50 0 HHAARO c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000009377859 132339224 /nfs/dbraw/zinc/33/92/24/132339224.db2.gz FARMLZSSAAAWBT-UHFFFAOYSA-N 1 0 423.520 3.949 50 0 HHAARO CCc1nc(C)c(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)[nH]1 ZINC000011818857 132350992 /nfs/dbraw/zinc/35/09/92/132350992.db2.gz VYROOMWPOJHMTH-UHFFFAOYSA-N 1 0 423.605 3.622 50 0 HHAARO CC[NH+]1CCN(c2nc3cc4c(cc3cc2CNCc2ccccc2F)OCO4)CC1 ZINC000011964500 132352710 /nfs/dbraw/zinc/35/27/10/132352710.db2.gz IUMPKJBEJHBEJB-UHFFFAOYSA-N 1 0 422.504 3.534 50 0 HHAARO CC(C)n1cc(C[NH+]2CCC(CCC(=O)N3CCN(c4ccccc4)CC3)CC2)cn1 ZINC000012303954 132358201 /nfs/dbraw/zinc/35/82/01/132358201.db2.gz CYRYFMITIZUDSC-UHFFFAOYSA-N 1 0 423.605 3.805 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000012605128 132364977 /nfs/dbraw/zinc/36/49/77/132364977.db2.gz LWFQANHQFIIRSV-UHFFFAOYSA-N 1 0 414.358 3.936 50 0 HHAARO CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000012736224 132366307 /nfs/dbraw/zinc/36/63/07/132366307.db2.gz RNGSMVQHCKXNTE-UHFFFAOYSA-N 1 0 424.492 3.973 50 0 HHAARO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019797628 518203429 /nfs/dbraw/zinc/20/34/29/518203429.db2.gz PQCSELLABGCGED-SYQRAZLKSA-N 1 0 412.618 3.788 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+][C@@H]3CCCC[C@H]3C)cc21 ZINC000245238304 521397798 /nfs/dbraw/zinc/39/77/98/521397798.db2.gz JASNWUQUBISMEN-WRWLIDTKSA-N 1 0 402.535 3.571 50 0 HHAARO COc1ccc(Br)cc1CN(C)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000045463746 523494430 /nfs/dbraw/zinc/49/44/30/523494430.db2.gz IWUADIHHZDUFTO-UHFFFAOYSA-N 1 0 412.372 3.720 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCNC(=O)c1ccsc1 ZINC000032930742 524115072 /nfs/dbraw/zinc/11/50/72/524115072.db2.gz IECOWGCCERPYCU-GOSISDBHSA-N 1 0 413.587 3.949 50 0 HHAARO Cc1cc(C)cc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c1 ZINC000020599875 524382655 /nfs/dbraw/zinc/38/26/55/524382655.db2.gz LNHTVYXMFKWMCQ-QFIPXVFZSA-N 1 0 421.545 3.673 50 0 HHAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccc(Oc4ncccn4)cc3)C[C@@H]2CCO)cc1 ZINC000020601778 524458174 /nfs/dbraw/zinc/45/81/74/524458174.db2.gz MEZUOHRSBTYQEF-QHCPKHFHSA-N 1 0 418.541 3.646 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000032870858 527544632 /nfs/dbraw/zinc/54/46/32/527544632.db2.gz ZHRPDALSXSXBLM-UHFFFAOYSA-N 1 0 406.486 3.678 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3cc(F)ccc3F)c(C)c2)CC1 ZINC000012544435 535748515 /nfs/dbraw/zinc/74/85/15/535748515.db2.gz WXMSJORXFWJBRA-MRXNPFEDSA-N 1 0 402.489 3.854 50 0 HHAARO COc1cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)ccc1OCCC(C)C ZINC000012780104 536533024 /nfs/dbraw/zinc/53/30/24/536533024.db2.gz TXFIMDWQFMEVCY-UHFFFAOYSA-N 1 0 412.534 3.519 50 0 HHAARO COc1ccc([C@@]2(O)CN3CCCSC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000000624123 557020548 /nfs/dbraw/zinc/02/05/48/557020548.db2.gz YNBGUGODZUPOHM-IBGZPJMESA-N 1 0 420.352 3.628 50 0 HHAARO CN(C)C(=O)Oc1ccc(-c2c[n+]3cc(NC(=O)c4ccccc4)ccc3n2C)cc1 ZINC000000633452 557028596 /nfs/dbraw/zinc/02/85/96/557028596.db2.gz QHGNUVRJIDKBMA-UHFFFAOYSA-O 1 0 415.473 3.744 50 0 HHAARO CCc1nc2c3cc4c(nc3sc2c(=O)n1CC[NH+](CC)CC)CC(C)(C)OC4 ZINC000002347296 557339014 /nfs/dbraw/zinc/33/90/14/557339014.db2.gz TVENUVYAZPGIJN-UHFFFAOYSA-N 1 0 414.575 3.762 50 0 HHAARO COc1cc(-c2nc(C(=O)NCC[NH+](C)C)cs2)ccc1OCc1ccccc1 ZINC000034712292 557391995 /nfs/dbraw/zinc/39/19/95/557391995.db2.gz STTQEVPJTQGYBG-UHFFFAOYSA-N 1 0 411.527 3.689 50 0 HHAARO O[C@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)COc1ccc(OC(F)(F)F)cc1 ZINC000004299427 557537505 /nfs/dbraw/zinc/53/75/05/557537505.db2.gz XBQREURTBQLEDU-LJQANCHMSA-N 1 0 424.463 3.579 50 0 HHAARO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OCc1cccnc1 ZINC000004942943 557615419 /nfs/dbraw/zinc/61/54/19/557615419.db2.gz CIQWPSUGWIIBGU-MRXNPFEDSA-N 1 0 407.308 3.700 50 0 HHAARO COC(=O)c1ccc(OC[C@@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005022407 557626783 /nfs/dbraw/zinc/62/67/83/557626783.db2.gz QLBVCVLDEMIUFX-QHCPKHFHSA-N 1 0 405.494 3.915 50 0 HHAARO O[C@@H](C[NH2+]C(c1ccccc1)c1ccccc1)COc1ccc(-c2nnco2)cc1 ZINC000005646983 557666395 /nfs/dbraw/zinc/66/63/95/557666395.db2.gz ABNFXKHGHIDLGX-NRFANRHFSA-N 1 0 401.466 3.856 50 0 HHAARO CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)NCCC[NH+]2CCCC2)c1C ZINC000006805000 557722138 /nfs/dbraw/zinc/72/21/38/557722138.db2.gz BLDCSXFIYBDABR-UHFFFAOYSA-N 1 0 411.546 3.551 50 0 HHAARO COc1cccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CC[NH+](C)CC3)c1 ZINC000002715995 557750001 /nfs/dbraw/zinc/75/00/01/557750001.db2.gz DXBLITKPYFTHEC-UHFFFAOYSA-N 1 0 411.502 3.529 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(SC)nc2)C1 ZINC000011707320 558270701 /nfs/dbraw/zinc/27/07/01/558270701.db2.gz DOYQGCCOHKESRE-SFHVURJKSA-N 1 0 400.592 3.594 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cc2ccccc2oc1=O ZINC000011769190 558274075 /nfs/dbraw/zinc/27/40/75/558274075.db2.gz NBJRZGOWEOEDFZ-UHFFFAOYSA-N 1 0 422.500 3.959 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(Cc3cc(C(C)C)n[nH]3)C2)cc1OC ZINC000019758696 558275034 /nfs/dbraw/zinc/27/50/34/558275034.db2.gz AVIZEKIGHXXRMA-HXUWFJFHSA-N 1 0 400.567 3.689 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 ZINC000011820703 558283903 /nfs/dbraw/zinc/28/39/03/558283903.db2.gz CTSLFEBFVCHYSK-LJQANCHMSA-N 1 0 413.537 3.923 50 0 HHAARO Cc1c(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cnn1C ZINC000011838752 558285579 /nfs/dbraw/zinc/28/55/79/558285579.db2.gz AEUHSIFOSQAFKF-QHCPKHFHSA-N 1 0 420.601 3.959 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1OC ZINC000011842946 558287943 /nfs/dbraw/zinc/28/79/43/558287943.db2.gz YMNRNSCDGQBGTR-MRXNPFEDSA-N 1 0 402.457 3.512 50 0 HHAARO Cn1cc(C[NH+]2CCC3(C[C@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cn1 ZINC000011881638 558295241 /nfs/dbraw/zinc/29/52/41/558295241.db2.gz TWNLWEGXBIHYRJ-QFIPXVFZSA-N 1 0 406.574 3.650 50 0 HHAARO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC000019850915 558295617 /nfs/dbraw/zinc/29/56/17/558295617.db2.gz VZYBTTCYZOSEFH-UHFFFAOYSA-N 1 0 402.336 3.596 50 0 HHAARO CCOC(=O)c1cnn(-c2ccnc3cc(Cl)ccc32)c1C[NH2+]C[C@H]1CCCO1 ZINC000011910436 558296703 /nfs/dbraw/zinc/29/67/03/558296703.db2.gz BSUKXFZRZCQEKA-OAHLLOKOSA-N 1 0 414.893 3.519 50 0 HHAARO Cc1nc2ccccc2n1CCC(=O)N1CCC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000011933631 558298187 /nfs/dbraw/zinc/29/81/87/558298187.db2.gz BIGDQSQTTORBCH-JOCHJYFZSA-N 1 0 404.558 3.900 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]CCc1ccc(O)cc1 ZINC000019866427 558298877 /nfs/dbraw/zinc/29/88/77/558298877.db2.gz PKTPTWIUPIAVEP-UHFFFAOYSA-N 1 0 406.530 3.697 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)cc1 ZINC000011936476 558300411 /nfs/dbraw/zinc/30/04/11/558300411.db2.gz KIDWAHSOZDQFTR-SFHVURJKSA-N 1 0 419.481 3.909 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000011948159 558302527 /nfs/dbraw/zinc/30/25/27/558302527.db2.gz IKLPMBQMSIWNOA-RUZDIDTESA-N 1 0 408.590 3.793 50 0 HHAARO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011957626 558303889 /nfs/dbraw/zinc/30/38/89/558303889.db2.gz AGFAQAJHGMIHIO-JOCHJYFZSA-N 1 0 419.953 3.996 50 0 HHAARO CSCCCNC(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1 ZINC000012072363 558317775 /nfs/dbraw/zinc/31/77/75/558317775.db2.gz YZVVAMVKYROFLU-UHFFFAOYSA-N 1 0 403.636 3.541 50 0 HHAARO Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2nc1C[NH+]1CCCC1 ZINC000020029270 558323506 /nfs/dbraw/zinc/32/35/06/558323506.db2.gz QZSZPPPCXNBDHU-UHFFFAOYSA-N 1 0 404.923 3.623 50 0 HHAARO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4nc(-c5ccccc5)no4)C3)CC2)cc1 ZINC000020109822 558335319 /nfs/dbraw/zinc/33/53/19/558335319.db2.gz OWTXSHPEZAHJHK-QFIPXVFZSA-N 1 0 421.520 3.662 50 0 HHAARO Cn1cc(C[N@H+](C)Cc2ccc(OC3CCN(C(=O)c4cccs4)CC3)cc2)cn1 ZINC000012191254 558347550 /nfs/dbraw/zinc/34/75/50/558347550.db2.gz LPQVMYFSOAYQKR-UHFFFAOYSA-N 1 0 424.570 3.797 50 0 HHAARO Cc1c(C(=O)NCc2ccco2)cc(-c2ccccc2)n1CCC[NH+]1CCOCC1 ZINC000020224143 558349395 /nfs/dbraw/zinc/34/93/95/558349395.db2.gz ITFXQLUUMJQNRC-UHFFFAOYSA-N 1 0 407.514 3.709 50 0 HHAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000012201271 558351457 /nfs/dbraw/zinc/35/14/57/558351457.db2.gz JJVGDQNHFADZMV-INIZCTEOSA-N 1 0 401.536 3.678 50 0 HHAARO CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(OC[C@]2(C)CCC[NH2+]C2)nc1 ZINC000012313897 558377539 /nfs/dbraw/zinc/37/75/39/558377539.db2.gz KKFPLTSNDFGXDL-XMMPIXPASA-N 1 0 404.514 3.671 50 0 HHAARO CCn1nc(CC(C)C)cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012314968 558378270 /nfs/dbraw/zinc/37/82/70/558378270.db2.gz VUTCKPSHDYQOAX-JOCHJYFZSA-N 1 0 408.590 3.805 50 0 HHAARO Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000020494433 558379734 /nfs/dbraw/zinc/37/97/34/558379734.db2.gz AQHCTANDSZTGJK-UHFFFAOYSA-N 1 0 416.363 3.904 50 0 HHAARO CCc1ccccc1N1C(=O)c2ccccc2/C(=C\NC[C@@H]2CCC[N@H+]2CC)C1=O ZINC000020518242 558383429 /nfs/dbraw/zinc/38/34/29/558383429.db2.gz VLSUTUTZNVHOCL-WXNAFCGMSA-N 1 0 403.526 3.851 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000020518096 558383526 /nfs/dbraw/zinc/38/35/26/558383526.db2.gz LZMKBTCUMPSQLV-NGIIGVMLSA-N 1 0 403.526 3.905 50 0 HHAARO C[C@H](C[NH+]1CCC(Oc2cccc(C(=O)N3CCOCC3)c2)CC1)c1ccccc1 ZINC000020615406 558392242 /nfs/dbraw/zinc/39/22/42/558392242.db2.gz OPZMHBYBMAVJBL-HXUWFJFHSA-N 1 0 408.542 3.806 50 0 HHAARO COc1cc(/C=C/[C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C(=O)[C@]34CCC[N@H+]24)ccc1O ZINC000012429803 558404704 /nfs/dbraw/zinc/40/47/04/558404704.db2.gz UOXSWFLNWOGCLO-LLDIVWLWSA-N 1 0 408.498 3.581 50 0 HHAARO COc1ccc(CCC(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000012439070 558410607 /nfs/dbraw/zinc/41/06/07/558410607.db2.gz SLLDGWIEDGBANQ-QFIPXVFZSA-N 1 0 410.558 3.802 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO ZINC000012439615 558411095 /nfs/dbraw/zinc/41/10/95/558411095.db2.gz SFOWJLJQRVAIDN-SFHVURJKSA-N 1 0 401.478 3.820 50 0 HHAARO OCC[C@@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000020775789 558411750 /nfs/dbraw/zinc/41/17/50/558411750.db2.gz BKWHKVZWAQBGPB-JOCHJYFZSA-N 1 0 403.586 3.743 50 0 HHAARO O=c1ccc(-c2ccccc2)nn1CC[NH2+]Cc1c[nH]nc1-c1cc2ccccc2o1 ZINC000020779349 558412530 /nfs/dbraw/zinc/41/25/30/558412530.db2.gz GCMBZIWXNMUUER-UHFFFAOYSA-N 1 0 411.465 3.836 50 0 HHAARO CC(C)Cc1cc(C(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)[nH]n1 ZINC000012444880 558413520 /nfs/dbraw/zinc/41/35/20/558413520.db2.gz CMAZCNBUZBYIAW-UHFFFAOYSA-N 1 0 400.542 3.774 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3ccnc4ccccc34)CC2)c1 ZINC000012448805 558415570 /nfs/dbraw/zinc/41/55/70/558415570.db2.gz SOQQNECPISSQMV-UHFFFAOYSA-N 1 0 419.525 3.654 50 0 HHAARO CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000020909885 558421824 /nfs/dbraw/zinc/42/18/24/558421824.db2.gz OUKOGGNFXGTROH-OAQYLSRUSA-N 1 0 419.573 3.695 50 0 HHAARO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)o1 ZINC000012586589 558434090 /nfs/dbraw/zinc/43/40/90/558434090.db2.gz UPNQFMNVZIGERK-JOCHJYFZSA-N 1 0 412.559 3.767 50 0 HHAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2-c2ccc(C)o2)C1 ZINC000012595237 558437491 /nfs/dbraw/zinc/43/74/91/558437491.db2.gz KXTRGORDEHKOEB-GOSISDBHSA-N 1 0 410.493 3.928 50 0 HHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc(N3CCNC3=O)cc2)CC1 ZINC000012595799 558437684 /nfs/dbraw/zinc/43/76/84/558437684.db2.gz BTFJKKDTRCZQTF-UHFFFAOYSA-N 1 0 421.541 3.604 50 0 HHAARO COc1ccc([C@@H]2CCC[N@@H+]2CCCCN2C(=O)c3ccccc3C2=O)c(OC)c1 ZINC000021583396 558442177 /nfs/dbraw/zinc/44/21/77/558442177.db2.gz XXQFZURLBDLAHU-NRFANRHFSA-N 1 0 408.498 3.917 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(N2CCCC2)[nH+]1 ZINC000021793621 558448961 /nfs/dbraw/zinc/44/89/61/558448961.db2.gz HZVNZYOUWAYICM-UHFFFAOYSA-N 1 0 407.562 3.645 50 0 HHAARO COc1ccc(C(=O)N[C@@H](C)c2nccs2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012707309 558450257 /nfs/dbraw/zinc/45/02/57/558450257.db2.gz HOQHZOWYMGLXON-HNNXBMFYSA-N 1 0 403.548 3.894 50 0 HHAARO COc1ccc(C(=O)N[C@H](C)c2nccs2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012707313 558450304 /nfs/dbraw/zinc/45/03/04/558450304.db2.gz HOQHZOWYMGLXON-OAHLLOKOSA-N 1 0 403.548 3.894 50 0 HHAARO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012751126 558459066 /nfs/dbraw/zinc/45/90/66/558459066.db2.gz HIDSCOUMHCWCJC-XMMPIXPASA-N 1 0 402.542 3.711 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794436 558467707 /nfs/dbraw/zinc/46/77/07/558467707.db2.gz AMJQWHOAKOQPID-FGZHOGPDSA-N 1 0 413.537 3.779 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000012818014 558476033 /nfs/dbraw/zinc/47/60/33/558476033.db2.gz BJUVPTZYNUAMOV-YADHBBJMSA-N 1 0 411.521 3.533 50 0 HHAARO Cc1ccc(CN(C)C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000022771720 558508598 /nfs/dbraw/zinc/50/85/98/558508598.db2.gz JQGJHKNDRRXGJD-UHFFFAOYSA-N 1 0 417.553 3.954 50 0 HHAARO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccc3)CC1)n2C ZINC000013539724 558537453 /nfs/dbraw/zinc/53/74/53/558537453.db2.gz QDZTUFQHMUZQBS-UHFFFAOYSA-N 1 0 405.546 3.677 50 0 HHAARO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(F)cc3)CC1)n2C ZINC000013540608 558537498 /nfs/dbraw/zinc/53/74/98/558537498.db2.gz PIQMZEIGBIEFJO-UHFFFAOYSA-N 1 0 423.536 3.816 50 0 HHAARO COc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc(Cl)c1O ZINC000023374828 558554589 /nfs/dbraw/zinc/55/45/89/558554589.db2.gz DHYXVKWOXQEXMQ-FQEVSTJZSA-N 1 0 415.965 3.841 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC3CC[NH+](C)CC3)cc12 ZINC000023421551 558557962 /nfs/dbraw/zinc/55/79/62/558557962.db2.gz XVUKSZANQBPOTD-UHFFFAOYSA-N 1 0 402.951 3.932 50 0 HHAARO Cc1ccccc1C(=O)NCCC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023846735 558577709 /nfs/dbraw/zinc/57/77/09/558577709.db2.gz DSAKIMGOAHXOPM-UHFFFAOYSA-N 1 0 415.537 3.613 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000023881919 558579804 /nfs/dbraw/zinc/57/98/04/558579804.db2.gz DPAMPTPJFUTOHU-JOCHJYFZSA-N 1 0 409.603 3.629 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000013729249 558585804 /nfs/dbraw/zinc/58/58/04/558585804.db2.gz BUVSFXAYWXOGCD-UHFFFAOYSA-N 1 0 402.420 3.976 50 0 HHAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258854 558593307 /nfs/dbraw/zinc/59/33/07/558593307.db2.gz RGXHXEQOMFBAJA-XLIONFOSSA-N 1 0 410.587 3.504 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc3c(c(Cl)c2)OCO3)[NH+]2CCCC2)cc1 ZINC000014094462 558619475 /nfs/dbraw/zinc/61/94/75/558619475.db2.gz OQJRWGROZLZHNA-SFHVURJKSA-N 1 0 402.878 3.644 50 0 HHAARO COc1cc(OC)c(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000014230815 558639863 /nfs/dbraw/zinc/63/98/63/558639863.db2.gz JVEQNJYXBZQQGW-KRWDZBQOSA-N 1 0 418.559 3.977 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419370 558640372 /nfs/dbraw/zinc/64/03/72/558640372.db2.gz CTEURORNABHDFN-BJKOFHAPSA-N 1 0 415.537 3.967 50 0 HHAARO CS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000014244157 558645776 /nfs/dbraw/zinc/64/57/76/558645776.db2.gz OLHBGBXCXPYQQR-UHFFFAOYSA-N 1 0 412.983 3.662 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccsc1 ZINC000025813563 558650681 /nfs/dbraw/zinc/65/06/81/558650681.db2.gz SEWXKQDNQNIKJV-QGZVFWFLSA-N 1 0 419.348 3.933 50 0 HHAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3cccc(O)c3)CC2)C1=O ZINC000014741942 558667361 /nfs/dbraw/zinc/66/73/61/558667361.db2.gz OBTXDATYQHDJSS-UHFFFAOYSA-N 1 0 421.541 3.847 50 0 HHAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](C3CCSCC3)CC2)C1=O ZINC000014741811 558667407 /nfs/dbraw/zinc/66/74/07/558667407.db2.gz VNFKGYGDPHVNFY-UHFFFAOYSA-N 1 0 415.603 3.837 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014752573 558671024 /nfs/dbraw/zinc/67/10/24/558671024.db2.gz JLWYUIFEFVLQKA-KRWDZBQOSA-N 1 0 416.516 3.845 50 0 HHAARO CC(C)[NH+](CCNC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C(C)C ZINC000027458357 558673230 /nfs/dbraw/zinc/67/32/30/558673230.db2.gz BIULRTATHQQFNB-MRXNPFEDSA-N 1 0 417.497 3.743 50 0 HHAARO COc1ccc([C@H](CNC(=O)COc2ccc(F)cc2)[NH+]2CCCCCC2)cc1 ZINC000027583055 558676152 /nfs/dbraw/zinc/67/61/52/558676152.db2.gz VLZOUFOSVLXTAO-QFIPXVFZSA-N 1 0 400.494 3.947 50 0 HHAARO Cc1cc(O[C@@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc(C)c1Cl ZINC000027742386 558680678 /nfs/dbraw/zinc/68/06/78/558680678.db2.gz UYQYOTLBWKLVPW-IBGZPJMESA-N 1 0 422.013 3.791 50 0 HHAARO COc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000014956774 558682732 /nfs/dbraw/zinc/68/27/32/558682732.db2.gz FOMPIYRXAGQVCI-QFIPXVFZSA-N 1 0 408.542 3.824 50 0 HHAARO CCc1ncc(C[NH+]2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cn1 ZINC000014976248 558689235 /nfs/dbraw/zinc/68/92/35/558689235.db2.gz KAUHJCPWWQWSJV-UHFFFAOYSA-N 1 0 418.545 3.692 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 ZINC000028403215 558700020 /nfs/dbraw/zinc/70/00/20/558700020.db2.gz NRCVEBUJQMVCSF-IBGZPJMESA-N 1 0 422.013 3.872 50 0 HHAARO c1ccc(CN2CCC([NH2+][C@@H]3CCCN(c4nc5ccccc5s4)C3)CC2)nc1 ZINC000015064772 558707861 /nfs/dbraw/zinc/70/78/61/558707861.db2.gz QGBFKGLNTWLXCX-HXUWFJFHSA-N 1 0 407.587 3.914 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000029164917 558710934 /nfs/dbraw/zinc/71/09/34/558710934.db2.gz CGZSCYLMVCXMHZ-HXUWFJFHSA-N 1 0 401.938 3.659 50 0 HHAARO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004578113 558754445 /nfs/dbraw/zinc/75/44/45/558754445.db2.gz DUKKLCXROMDWSL-UHFFFAOYSA-N 1 0 424.994 3.624 50 0 HHAARO CC[N@H+](Cc1nnc2n1c1ccsc1c(=O)n2C)[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305221 558757797 /nfs/dbraw/zinc/75/77/97/558757797.db2.gz LTDMZPPJRBOQNR-IBGZPJMESA-N 1 0 421.570 3.794 50 0 HHAARO CC(C)[NH+]1CCC(NC(=O)CN2CCCN(Cc3ccccc3)c3ccccc32)CC1 ZINC000072308371 558770530 /nfs/dbraw/zinc/77/05/30/558770530.db2.gz KEBOWNOSRUGQIY-UHFFFAOYSA-N 1 0 420.601 3.892 50 0 HHAARO COc1ccc(-c2nc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cs2)cc1OC ZINC000016599893 558796439 /nfs/dbraw/zinc/79/64/39/558796439.db2.gz SHMIHCQXTPATTR-SFHVURJKSA-N 1 0 411.527 3.860 50 0 HHAARO COc1ccc(OCC[NH2+][C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000016695401 558800932 /nfs/dbraw/zinc/80/09/32/558800932.db2.gz YKQDXDXZGHUCQR-IBGZPJMESA-N 1 0 404.510 3.958 50 0 HHAARO CC[C@H](NC(=O)C[NH2+]CCOc1ccccc1OC)c1ccc(Br)cc1 ZINC000016695469 558801056 /nfs/dbraw/zinc/80/10/56/558801056.db2.gz PQGYERZFRDMBMN-KRWDZBQOSA-N 1 0 421.335 3.694 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)O2 ZINC000032984005 558805072 /nfs/dbraw/zinc/80/50/72/558805072.db2.gz PUSRLWHFGVWHQN-DEDYPNTBSA-N 1 0 411.889 3.538 50 0 HHAARO CCOc1cc(CN2CC[N@H+](CCCc3ccccc3)[C@H](CCO)C2)ccc1OC ZINC000039537753 558822306 /nfs/dbraw/zinc/82/23/06/558822306.db2.gz ADXLVOTUAZNDBQ-HSZRJFAPSA-N 1 0 412.574 3.595 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(N2CCC(n3c4ccccc4[nH]c3=O)CC2)CC1 ZINC000040423557 558825094 /nfs/dbraw/zinc/82/50/94/558825094.db2.gz CWPKTBMRVATCBL-UHFFFAOYSA-N 1 0 404.558 3.940 50 0 in-vitro HHAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000071820941 558825485 /nfs/dbraw/zinc/82/54/85/558825485.db2.gz BKRAGWZUQLQYSL-QZTJIDSGSA-N 1 0 416.319 3.993 50 0 HHAARO O=C1C[C@@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000018250427 558834792 /nfs/dbraw/zinc/83/47/92/558834792.db2.gz NLSVFZPHOHCARU-MRXNPFEDSA-N 1 0 407.695 3.567 50 0 HHAARO CCc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)NCC[NH+](C)C)c3)C2)cc1 ZINC000033035551 558859658 /nfs/dbraw/zinc/85/96/58/558859658.db2.gz QMAATJJIMMMSDK-JOCHJYFZSA-N 1 0 422.573 3.952 50 0 HHAARO CCC(=O)NCCCOc1cccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)c1 ZINC000055100297 558872501 /nfs/dbraw/zinc/87/25/01/558872501.db2.gz ZJTJYIWUXANENH-UHFFFAOYSA-N 1 0 409.574 3.921 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106222 558873865 /nfs/dbraw/zinc/87/38/65/558873865.db2.gz GGFQNISTEHXNNU-JOCHJYFZSA-N 1 0 423.605 3.860 50 0 HHAARO CC1CC[NH+](Cc2nnc(-c3cn(CC(=O)NC4CCCC4)c4ccccc34)o2)CC1 ZINC000033129359 558885284 /nfs/dbraw/zinc/88/52/84/558885284.db2.gz QKKAQVOWFVONFA-UHFFFAOYSA-N 1 0 421.545 3.982 50 0 HHAARO O=C(Nc1ccc2c(c1)OCCO2)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000058167138 558907338 /nfs/dbraw/zinc/90/73/38/558907338.db2.gz GQPKTIXZQLCVOY-FQEVSTJZSA-N 1 0 406.404 3.851 50 0 HHAARO CC(C)[C@@H](NC(=O)C[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000058183226 558910419 /nfs/dbraw/zinc/91/04/19/558910419.db2.gz SNUIPXGYCRDILO-OAQYLSRUSA-N 1 0 403.567 3.737 50 0 HHAARO C[C@@H]1C[NH+](CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@@H](C)O1 ZINC000058227375 558913621 /nfs/dbraw/zinc/91/36/21/558913621.db2.gz CHICMEBTUXRVHK-HUUCEWRRSA-N 1 0 414.377 3.753 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000004709088 558914080 /nfs/dbraw/zinc/91/40/80/558914080.db2.gz KRVKIBGDPROVJR-UHFFFAOYSA-N 1 0 412.486 3.599 50 0 HHAARO Oc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)CC2)cc1 ZINC000058356062 558921353 /nfs/dbraw/zinc/92/13/53/558921353.db2.gz UQWCLKBVCQAZNN-IBGZPJMESA-N 1 0 404.304 3.684 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058420978 558925833 /nfs/dbraw/zinc/92/58/33/558925833.db2.gz HBNNDWATDWCNGP-PMACEKPBSA-N 1 0 413.512 3.820 50 0 HHAARO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Nc2cccc(C[NH+](CC)CC)c2)C1 ZINC000060377073 558942562 /nfs/dbraw/zinc/94/25/62/558942562.db2.gz DPZNUWRBZMNAQE-JOCHJYFZSA-N 1 0 422.529 3.665 50 0 HHAARO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@H+](C)C[C@@H]3C)c3cc(F)ccc3n2)cn1 ZINC000063868711 558960221 /nfs/dbraw/zinc/96/02/21/558960221.db2.gz QCGZCGJMNUWYJS-INIZCTEOSA-N 1 0 409.509 3.985 50 0 HHAARO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c3ccccc3n2)cn1 ZINC000063870721 558960534 /nfs/dbraw/zinc/96/05/34/558960534.db2.gz LHBGXBSVHLOJOT-LJQANCHMSA-N 1 0 403.530 3.990 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000072441899 558982025 /nfs/dbraw/zinc/98/20/25/558982025.db2.gz GKZONTHZNHMYAO-UHFFFAOYSA-N 1 0 407.440 3.636 50 0 HHAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000067602214 558988059 /nfs/dbraw/zinc/98/80/59/558988059.db2.gz BPFIBMLTBXAGKX-UHFFFAOYSA-N 1 0 404.514 3.916 50 0 HHAARO Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C[NH2+]CCC(=O)NCc1ccccn1 ZINC000097139565 558996793 /nfs/dbraw/zinc/99/67/93/558996793.db2.gz NJEYPDHLTHVOEQ-UHFFFAOYSA-N 1 0 418.328 3.679 50 0 HHAARO CC(C)Cn1c(CC2(CC(=O)N(C)C3CC[NH2+]CC3)CCCC2)nc2cccnc21 ZINC000077437974 559005174 /nfs/dbraw/zinc/00/51/74/559005174.db2.gz XOZYUCLWIDIRFV-UHFFFAOYSA-N 1 0 411.594 3.791 50 0 HHAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3cccs3)CC2)c2ccccc2n1 ZINC000023127539 559015863 /nfs/dbraw/zinc/01/58/63/559015863.db2.gz QBZAFCZSWXEDPC-UHFFFAOYSA-N 1 0 422.554 3.572 50 0 HHAARO Cc1c2cc(CNC(=O)[C@H](C)C[NH+]3CCOCC3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000082106900 559038251 /nfs/dbraw/zinc/03/82/51/559038251.db2.gz OOSNBQHZAURYTE-MRXNPFEDSA-N 1 0 409.505 3.867 50 0 HHAARO Cn1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1-c1ccccc1 ZINC000095353309 559079729 /nfs/dbraw/zinc/07/97/29/559079729.db2.gz ZDKDTUAYNJOLRC-RBBKRZOGSA-N 1 0 400.526 3.824 50 0 HHAARO COc1cc(CN(C)Cc2ccoc2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095496716 559081549 /nfs/dbraw/zinc/08/15/49/559081549.db2.gz WWHKPXJHXLDDHX-NRFANRHFSA-N 1 0 402.535 3.536 50 0 HHAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 ZINC000095501980 559082474 /nfs/dbraw/zinc/08/24/74/559082474.db2.gz MJWCKBIMVXOQGT-KRWDZBQOSA-N 1 0 400.592 3.795 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cccc(F)c1 ZINC000011603842 559113175 /nfs/dbraw/zinc/11/31/75/559113175.db2.gz DMBYNACQRXXPOU-FQEVSTJZSA-N 1 0 410.493 3.602 50 0 HHAARO CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@]1(CCC[NH3+])c1ccccc1 ZINC000072190166 559167399 /nfs/dbraw/zinc/16/73/99/559167399.db2.gz LLXISKGBWFTGEI-HXUWFJFHSA-N 1 0 420.485 3.880 50 0 investigational HHAARO CCOc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000023466481 559175804 /nfs/dbraw/zinc/17/58/04/559175804.db2.gz SKKKFWFOKFFSKZ-XUZZJYLKSA-N 1 0 410.558 3.662 50 0 HHAARO CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@H](CC[NH+](C)C)Cc1ccccc1 ZINC000004872559 559194604 /nfs/dbraw/zinc/19/46/04/559194604.db2.gz KXVQGLRGUCNYMM-PKTZIBPZSA-N 1 0 415.622 3.777 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)C1 ZINC000005022409 559229534 /nfs/dbraw/zinc/22/95/34/559229534.db2.gz IUZLJXKEOJZMJL-IYBDPMFKSA-N 1 0 411.571 3.851 50 0 HHAARO C[NH+](C)CCN(C(=O)CCc1ccccc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121486 559248530 /nfs/dbraw/zinc/24/85/30/559248530.db2.gz UFGIPMGUSMKWTF-UHFFFAOYSA-N 1 0 411.527 3.595 50 0 HHAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)CCOc3ccccc3)nc21 ZINC000005121685 559248577 /nfs/dbraw/zinc/24/85/77/559248577.db2.gz CNMNMTRELUTESR-UHFFFAOYSA-N 1 0 413.543 3.977 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCCC[NH+]1CCCCC1 ZINC000011713314 559254529 /nfs/dbraw/zinc/25/45/29/559254529.db2.gz ICAVSBVQMRPOEZ-SFHVURJKSA-N 1 0 414.377 3.740 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000248024718 559259950 /nfs/dbraw/zinc/25/99/50/559259950.db2.gz KWNJDAAJXUHYPI-AQNXPRMDSA-N 1 0 411.512 3.850 50 0 HHAARO Cn1cccc1[C@H](CNS(=O)(=O)Cc1cccc(Cl)c1)[NH+]1CCCCCC1 ZINC000011897846 559265449 /nfs/dbraw/zinc/26/54/49/559265449.db2.gz LFRUBOQLYAJEFL-FQEVSTJZSA-N 1 0 409.983 3.715 50 0 HHAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1Cl ZINC000005427463 560585701 /nfs/dbraw/zinc/58/57/01/560585701.db2.gz RZTSMJKBCGDWBN-KRWDZBQOSA-N 1 0 402.281 3.939 50 0 HHAARO Cc1cc(C)n(-c2nc3sc4c(c3c(SCC[NH+](C)C)n2)CC(C)(C)OC4)n1 ZINC000005563234 560618963 /nfs/dbraw/zinc/61/89/63/560618963.db2.gz RWEAXGZDJDTGQE-UHFFFAOYSA-N 1 0 417.604 3.999 50 0 HHAARO CC[C@H](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1Cc2ccccc2C1=O ZINC000583652519 560779313 /nfs/dbraw/zinc/77/93/13/560779313.db2.gz KZCPABYIXPBIRS-JTSKRJEESA-N 1 0 409.530 3.636 50 0 HHAARO CC[C@H](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1Cc2ccccc2C1=O ZINC000583652518 560779321 /nfs/dbraw/zinc/77/93/21/560779321.db2.gz KZCPABYIXPBIRS-HTAPYJJXSA-N 1 0 409.530 3.636 50 0 HHAARO O=C1C[C@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000101130483 560788305 /nfs/dbraw/zinc/78/83/05/560788305.db2.gz PRWLXEWVCXUWJE-FGZHOGPDSA-N 1 0 423.557 3.573 50 0 HHAARO CCOc1ccc(N2C(=O)c3ccccc3/C(=C/NCC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000102305076 560809217 /nfs/dbraw/zinc/80/92/17/560809217.db2.gz YJWGAWVJWBCFNW-JCMHNJIXSA-N 1 0 421.541 3.791 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000046745067 560858209 /nfs/dbraw/zinc/85/82/09/560858209.db2.gz BEJITSPRXGSBIJ-INIZCTEOSA-N 1 0 412.500 3.553 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104982501 560858772 /nfs/dbraw/zinc/85/87/72/560858772.db2.gz FCTWSSQCXSTXJF-NHCUHLMSSA-N 1 0 402.922 3.733 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000105724201 560877033 /nfs/dbraw/zinc/87/70/33/560877033.db2.gz XJEALIUWFHBSEA-PXNSSMCTSA-N 1 0 407.986 3.865 50 0 HHAARO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccccc1Br ZINC000012197190 560891508 /nfs/dbraw/zinc/89/15/08/560891508.db2.gz XPTBHSDBERJIKJ-KRWDZBQOSA-N 1 0 417.303 3.745 50 0 HHAARO CCCCc1nn2c(nc(C[N@H+](CC)Cc3ccc(OCC)cc3)cc2=O)s1 ZINC000046032466 568424608 /nfs/dbraw/zinc/42/46/08/568424608.db2.gz XMGDZXHYYZCRDY-UHFFFAOYSA-N 1 0 400.548 3.914 50 0 HHAARO CCCCc1nn2c(nc(C[N@H+](CCC)Cc3ccc(OC)cc3)cc2=O)s1 ZINC000046032298 568424727 /nfs/dbraw/zinc/42/47/27/568424727.db2.gz MYWYTYBDKOTHKQ-UHFFFAOYSA-N 1 0 400.548 3.914 50 0 HHAARO C[C@@H]1CN(c2ccccc2NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C[C@@H](C)O1 ZINC000048280169 568435926 /nfs/dbraw/zinc/43/59/26/568435926.db2.gz MBWYUDXKOOGWTJ-NHCUHLMSSA-N 1 0 424.589 3.938 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CCNC(=O)c3ccsc3)cc2)C1 ZINC000048310667 568436771 /nfs/dbraw/zinc/43/67/71/568436771.db2.gz SXOIOYABKWHZBW-HDICACEKSA-N 1 0 413.587 3.662 50 0 HHAARO O=C(c1ccc2n1CC[C@@H]2C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000051364399 568436983 /nfs/dbraw/zinc/43/69/83/568436983.db2.gz YPDAUWKTCLMJPL-NRFANRHFSA-N 1 0 405.542 3.683 50 0 HHAARO CCOC(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000048340070 568440228 /nfs/dbraw/zinc/44/02/28/568440228.db2.gz CKSFYSMDDPFRKK-RTBURBONSA-N 1 0 415.578 3.649 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)Cc1ccccc1N1CCOCC1 ZINC000048354732 568441127 /nfs/dbraw/zinc/44/11/27/568441127.db2.gz BTOSHRXYSRYPQC-UHFFFAOYSA-N 1 0 424.589 3.707 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CCNC(=O)c2ccsc2)C1 ZINC000048884836 568443511 /nfs/dbraw/zinc/44/35/11/568443511.db2.gz NUNLNNDPBACVJA-QZTJIDSGSA-N 1 0 413.587 3.662 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cnn(C(C)C)c4)C3)C2)c1OC ZINC000014965919 568488131 /nfs/dbraw/zinc/48/81/31/568488131.db2.gz UOPYWSHBHCOWHB-DEOSSOPVSA-N 1 0 412.578 3.969 50 0 HHAARO CC1(C)CC(NC(=O)c2ccc3c(c2)ncn(-c2ccccc2F)c3=O)CC(C)(C)[NH2+]1 ZINC000094993036 568593774 /nfs/dbraw/zinc/59/37/74/568593774.db2.gz VCCFCWVQPAMOTK-UHFFFAOYSA-N 1 0 422.504 3.564 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)CN1Cc1ccccc1 ZINC000039543965 568599001 /nfs/dbraw/zinc/59/90/01/568599001.db2.gz FWHCZWPLLJGDOT-PMACEKPBSA-N 1 0 405.464 3.574 50 0 HHAARO O=C(OC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1COC(=O)c1ccoc1)c1ccoc1 ZINC000095450730 568614278 /nfs/dbraw/zinc/61/42/78/568614278.db2.gz MQKWBSWVQUYDSV-OYRHEFFESA-N 1 0 409.438 3.635 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)C1 ZINC000020489796 568614324 /nfs/dbraw/zinc/61/43/24/568614324.db2.gz YJDPFOYJPZAHKU-WOJBJXKFSA-N 1 0 422.573 3.519 50 0 HHAARO CC1CC[NH+](CCc2cccc(NC(=O)CNC(=O)c3cccc(Cl)c3)c2)CC1 ZINC000095455582 568616982 /nfs/dbraw/zinc/61/69/82/568616982.db2.gz SKKCWTBVSONTGD-UHFFFAOYSA-N 1 0 413.949 3.983 50 0 HHAARO COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cc2ccccc2Br)cc1 ZINC000095456458 568617792 /nfs/dbraw/zinc/61/77/92/568617792.db2.gz BYJXGCWZUWJDJV-HXUWFJFHSA-N 1 0 417.347 3.954 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(Nc2ncccn2)c1 ZINC000095476873 568630823 /nfs/dbraw/zinc/63/08/23/568630823.db2.gz MBYIXCOCOPKRIF-UHFFFAOYSA-N 1 0 405.477 3.754 50 0 HHAARO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000225396338 568634037 /nfs/dbraw/zinc/63/40/37/568634037.db2.gz OVGZOBWFBNCWGD-XZOQPEGZSA-N 1 0 403.526 3.797 50 0 HHAARO COc1cccc(OC)c1CN1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000020998052 568657329 /nfs/dbraw/zinc/65/73/29/568657329.db2.gz XNUVMTDXBRPTGO-NRFANRHFSA-N 1 0 413.537 3.630 50 0 HHAARO O=C(CSc1ncnc2c1sc1cccc(F)c12)NCCC[NH+]1CCCC1 ZINC000021153430 568672879 /nfs/dbraw/zinc/67/28/79/568672879.db2.gz OIOVYIAZZIXNJC-UHFFFAOYSA-N 1 0 404.536 3.678 50 0 HHAARO O=C1Nc2cc(Br)ccc2[C@H]1C[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000095997226 568679084 /nfs/dbraw/zinc/67/90/84/568679084.db2.gz ZZWMEUORAUBYTE-NVXWUHKLSA-N 1 0 405.292 3.759 50 0 HHAARO COc1ccc(OC)c2[nH]c(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)cc21 ZINC000096118307 568697747 /nfs/dbraw/zinc/69/77/47/568697747.db2.gz XDXZPRCCUWGMQU-UHFFFAOYSA-N 1 0 411.477 3.719 50 0 HHAARO COc1ccc(OC)c(-c2cc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)no2)c1 ZINC000096210731 568704399 /nfs/dbraw/zinc/70/43/99/568704399.db2.gz PFXVOGKNPLSLBD-UHFFFAOYSA-N 1 0 424.501 3.955 50 0 HHAARO O[C@@H](C[NH2+]C1CCCCC1)COc1ccc(Br)cc1Br ZINC000012420355 568720464 /nfs/dbraw/zinc/72/04/64/568720464.db2.gz QLYXOOKWYHUTMG-ZDUSSCGKSA-N 1 0 407.146 3.874 50 0 HHAARO CN(C)[C@@H](CNC(=O)c1cc(=O)c2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000238923876 568727269 /nfs/dbraw/zinc/72/72/69/568727269.db2.gz PWWCFNUGDXYVCG-INIZCTEOSA-N 1 0 404.388 3.845 50 0 HHAARO C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 ZINC000239367337 568729017 /nfs/dbraw/zinc/72/90/17/568729017.db2.gz AIJFVHKPBNNODG-PXAZEXFGSA-N 1 0 421.866 3.837 50 0 HHAARO COc1cc(NC(=O)N2CCC(C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc(OC)c1OC ZINC000021653342 568730579 /nfs/dbraw/zinc/73/05/79/568730579.db2.gz YAEWCZOXSYUPNA-IAGOWNOFSA-N 1 0 419.566 3.934 50 0 HHAARO CCOc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000241126169 568730843 /nfs/dbraw/zinc/73/08/43/568730843.db2.gz JKAMFAAXOZSANA-LSDHHAIUSA-N 1 0 401.473 3.665 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(NC(C)=O)cc2)nc2ccccc21 ZINC000021662842 568736290 /nfs/dbraw/zinc/73/62/90/568736290.db2.gz ADGIKPYLBRUDNS-UHFFFAOYSA-N 1 0 404.514 3.932 50 0 HHAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH2+][C@H](CCO)C2CCCCC2)cs1 ZINC000097048968 568767071 /nfs/dbraw/zinc/76/70/71/568767071.db2.gz JRRYZNMSRMZUAA-HXUWFJFHSA-N 1 0 413.587 3.929 50 0 HHAARO COc1ccc(-c2nnc(SCC[NH2+]C[C@@H](O)c3ccccc3)n2C(C)C)cc1 ZINC000002639101 568793005 /nfs/dbraw/zinc/79/30/05/568793005.db2.gz PAXXBCBXXNJBOP-HXUWFJFHSA-N 1 0 412.559 3.950 50 0 HHAARO Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCC3([NH+](C)C)CCCC3)cc2)cc1 ZINC000056530337 568810123 /nfs/dbraw/zinc/81/01/23/568810123.db2.gz GVUHXACFECLHBO-UHFFFAOYSA-N 1 0 414.571 3.573 50 0 HHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)o1 ZINC000012539440 568846828 /nfs/dbraw/zinc/84/68/28/568846828.db2.gz RQEHGBQOLRSJPS-NRFANRHFSA-N 1 0 409.453 3.887 50 0 HHAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(-c3ccccn3)nc3ccccc32)C[C@H](C)O1 ZINC000012544217 568849515 /nfs/dbraw/zinc/84/95/15/568849515.db2.gz DUUNTDYLEABOFZ-HDICACEKSA-N 1 0 404.514 3.526 50 0 HHAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000230208102 568854977 /nfs/dbraw/zinc/85/49/77/568854977.db2.gz LNQHBBQGMXBOHP-YJBOKZPZSA-N 1 0 402.926 3.733 50 0 biogenic HHAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000030361155 568861992 /nfs/dbraw/zinc/86/19/92/568861992.db2.gz CHGNBCYVJZLZIM-UHFFFAOYSA-N 1 0 421.994 3.529 50 0 HHAARO COc1ccc2cc(C[NH2+]CCN3CCCCC3)c(=O)n(Cc3ccccc3F)c2c1 ZINC000299764684 568873613 /nfs/dbraw/zinc/87/36/13/568873613.db2.gz CISQPYLCQCAYPH-UHFFFAOYSA-N 1 0 423.532 3.773 50 0 HHAARO CC1(C)C[C@H](C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770196 568874090 /nfs/dbraw/zinc/87/40/90/568874090.db2.gz QFJSKZJYZRUYPF-CTNGQTDRSA-N 1 0 418.553 3.661 50 0 HHAARO O=C(CCc1nc(-c2ccccc2F)no1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004119254 568944460 /nfs/dbraw/zinc/94/44/60/568944460.db2.gz JYQCEJOPNNITLN-UHFFFAOYSA-N 1 0 408.477 3.589 50 0 HHAARO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000012765495 568948167 /nfs/dbraw/zinc/94/81/67/568948167.db2.gz APKFEBJYYSNGKU-NRFANRHFSA-N 1 0 421.928 3.554 50 0 HHAARO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2-n2cccc2)cc1 ZINC000015681274 568968030 /nfs/dbraw/zinc/96/80/30/568968030.db2.gz ZNLVJMPWIDQEMV-FQEVSTJZSA-N 1 0 405.546 3.966 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000008040256 568970443 /nfs/dbraw/zinc/97/04/43/568970443.db2.gz OTXIXHFBCWPRIT-GOSISDBHSA-N 1 0 401.894 3.627 50 0 HHAARO COc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)cc1 ZINC000015726933 568978392 /nfs/dbraw/zinc/97/83/92/568978392.db2.gz DIDZJDMWXOKJDD-UHFFFAOYSA-N 1 0 424.932 3.931 50 0 HHAARO C[C@@H]([NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000008193148 568981714 /nfs/dbraw/zinc/98/17/14/568981714.db2.gz MLVXLWPQCTXYQK-GCJKJVERSA-N 1 0 404.558 3.966 50 0 HHAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000015731268 568981914 /nfs/dbraw/zinc/98/19/14/568981914.db2.gz RPYPSLADDHAIHQ-LJQANCHMSA-N 1 0 405.546 3.884 50 0 HHAARO CCOC(=O)c1noc2ncnc(NCC3CC[NH+](Cc4cc(C)ccc4C)CC3)c12 ZINC000015735189 568984062 /nfs/dbraw/zinc/98/40/62/568984062.db2.gz LCIVCKKHXQVMCD-UHFFFAOYSA-N 1 0 423.517 3.735 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3nccc3C)cc2)[NH+]2CCCC2)cc1 ZINC000008264934 568985910 /nfs/dbraw/zinc/98/59/10/568985910.db2.gz VYZQEVDDHNRYCM-HSZRJFAPSA-N 1 0 404.514 3.756 50 0 HHAARO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107833 568992004 /nfs/dbraw/zinc/99/20/04/568992004.db2.gz MWHAEIYCMQZNGZ-WIYYLYMNSA-N 1 0 424.593 3.646 50 0 biogenic HHAARO Cc1cc(CSc2ncccc2C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000008367121 568995485 /nfs/dbraw/zinc/99/54/85/568995485.db2.gz IKYQKYHUOIBJGQ-GOSISDBHSA-N 1 0 408.527 3.675 50 0 HHAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(O)cc1 ZINC000008373809 568995717 /nfs/dbraw/zinc/99/57/17/568995717.db2.gz XQTCVMUAWZXZDJ-IBGZPJMESA-N 1 0 412.873 3.649 50 0 HHAARO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012820887 569004853 /nfs/dbraw/zinc/00/48/53/569004853.db2.gz ZFDSTXWFKBRYBR-QHCPKHFHSA-N 1 0 423.557 3.718 50 0 HHAARO O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000085648718 569005521 /nfs/dbraw/zinc/00/55/21/569005521.db2.gz JGJRHUSQNKZVAK-JOCHJYFZSA-N 1 0 407.558 3.837 50 0 HHAARO O=C(C[C@H]1COc2ccccc2N1Cc1ccccc1)NCCC[NH+]1CCCCC1 ZINC000085648716 569005524 /nfs/dbraw/zinc/00/55/24/569005524.db2.gz JGJRHUSQNKZVAK-QFIPXVFZSA-N 1 0 407.558 3.837 50 0 HHAARO COc1ccc2c(c1)C[C@@H](C(=O)NCCC[NH+]1CCC(Cc3ccccc3)CC1)CO2 ZINC000015786264 569007312 /nfs/dbraw/zinc/00/73/12/569007312.db2.gz QQMPHEBJSBKDCX-HSZRJFAPSA-N 1 0 422.569 3.707 50 0 HHAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012865558 569012107 /nfs/dbraw/zinc/01/21/07/569012107.db2.gz GATPCLBCTFRLKD-XXBNENTESA-N 1 0 411.521 3.990 50 0 HHAARO CCC(=O)Nc1nc2ccc(CC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2s1 ZINC000015861865 569015520 /nfs/dbraw/zinc/01/55/20/569015520.db2.gz JOIURBKRXRTSEO-UHFFFAOYSA-N 1 0 414.575 3.664 50 0 HHAARO COc1ccccc1OCC[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000016046947 569028334 /nfs/dbraw/zinc/02/83/34/569028334.db2.gz QDPJIEULPHDHQN-JOCHJYFZSA-N 1 0 404.510 3.764 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[NH+]4CCC(C)CC4)C3)nn2)cc1 ZINC000035398133 569035010 /nfs/dbraw/zinc/03/50/10/569035010.db2.gz XCSMUPDRZYECPG-JOCHJYFZSA-N 1 0 421.589 3.517 50 0 HHAARO CCOC(=O)c1c(C)[nH]c(CCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000035446517 569037202 /nfs/dbraw/zinc/03/72/02/569037202.db2.gz ZWZPCPRSGRIJAP-UHFFFAOYSA-N 1 0 411.546 3.522 50 0 HHAARO CC1CC[NH+](CCCNC(=O)c2nc(-c3ccc(N4CCCCC4)cc3)no2)CC1 ZINC000035457317 569037776 /nfs/dbraw/zinc/03/77/76/569037776.db2.gz CXIRFHJPFOZZBI-UHFFFAOYSA-N 1 0 411.550 3.579 50 0 HHAARO CSc1ccccc1NC(=O)C(=O)NC[C@H](c1csc2ccccc21)[NH+](C)C ZINC000575621591 569038957 /nfs/dbraw/zinc/03/89/57/569038957.db2.gz PUIUAONJEJRXBJ-QGZVFWFLSA-N 1 0 413.568 3.981 50 0 HHAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000225408611 569039840 /nfs/dbraw/zinc/03/98/40/569039840.db2.gz NFTOQMQICJCJQN-DGWIIEBVSA-N 1 0 410.530 3.546 50 0 HHAARO CC[C@H]1C[N@H+](CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000244691798 569055099 /nfs/dbraw/zinc/05/50/99/569055099.db2.gz JJNMIPRSAJXCLP-HKUYNNGSSA-N 1 0 415.559 3.879 50 0 HHAARO COc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1OCc1c(C)noc1C ZINC000016600064 569060458 /nfs/dbraw/zinc/06/04/58/569060458.db2.gz IHAVUVZHJHQPPS-UHFFFAOYSA-N 1 0 403.523 3.728 50 0 HHAARO O=C(Cn1c2ccccc2nc1C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006510048 569062052 /nfs/dbraw/zinc/06/20/52/569062052.db2.gz RCZWWMGYVWBRRY-UHFFFAOYSA-N 1 0 416.447 3.836 50 0 HHAARO CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000006660101 569084158 /nfs/dbraw/zinc/08/41/58/569084158.db2.gz AABAXVYXHFJILS-OAHLLOKOSA-N 1 0 414.546 3.857 50 0 HHAARO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccc(OC)c2OC)CC(C)C)cc1 ZINC000036097068 569090201 /nfs/dbraw/zinc/09/02/01/569090201.db2.gz NXYZIHCRPLGDTN-IBGZPJMESA-N 1 0 403.519 3.610 50 0 HHAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COC(C)(C)C)c1 ZINC000036098491 569090933 /nfs/dbraw/zinc/09/09/33/569090933.db2.gz CNFVLIZNGBSRQQ-LJQANCHMSA-N 1 0 401.503 3.602 50 0 HHAARO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146894 569098755 /nfs/dbraw/zinc/09/87/55/569098755.db2.gz SDYDBWPPZLNUJY-LADGPHEKSA-N 1 0 420.509 3.853 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2Cl)CC1 ZINC000036343748 569142410 /nfs/dbraw/zinc/14/24/10/569142410.db2.gz SVMURFTUPGLKPE-HSZRJFAPSA-N 1 0 424.976 3.964 50 0 HHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000006876474 569163407 /nfs/dbraw/zinc/16/34/07/569163407.db2.gz LSPVFHRKXFLWPZ-IRXDYDNUSA-N 1 0 403.498 3.767 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895570 569175325 /nfs/dbraw/zinc/17/53/25/569175325.db2.gz JFTPHYHNBWMXPM-HHHXNRCGSA-N 1 0 408.951 3.847 50 0 HHAARO CCCC[NH+]1CCN(C(=O)c2cc(NC(=O)C3CCC3)cc3nc(C)ccc32)CC1 ZINC000065136101 569183284 /nfs/dbraw/zinc/18/32/84/569183284.db2.gz CTGIIKWLJNJYHI-UHFFFAOYSA-N 1 0 408.546 3.840 50 0 HHAARO CC1CCN(c2ccc(-c3noc(CN4CC[NH+](C5CCCCC5)CC4)n3)cn2)CC1 ZINC000065216157 569197613 /nfs/dbraw/zinc/19/76/13/569197613.db2.gz JSDHZUSOBKJBMW-UHFFFAOYSA-N 1 0 424.593 3.818 50 0 HHAARO Cc1ccc2cc(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000065245561 569205309 /nfs/dbraw/zinc/20/53/09/569205309.db2.gz VDHGDXRJUMKHAE-UHFFFAOYSA-N 1 0 403.526 3.962 50 0 HHAARO Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c12 ZINC000036615867 569207163 /nfs/dbraw/zinc/20/71/63/569207163.db2.gz OCLJFPDDQUMQTA-CTXDPNEZSA-N 1 0 415.541 3.961 50 0 HHAARO COc1ccc(NC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)c(OC)c1 ZINC000065256130 569208229 /nfs/dbraw/zinc/20/82/29/569208229.db2.gz IFHUKYSVEMIAPM-NRFANRHFSA-N 1 0 418.497 3.502 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007126805 569223888 /nfs/dbraw/zinc/22/38/88/569223888.db2.gz ZDHPBWPTSVTNLV-LJQANCHMSA-N 1 0 405.893 3.648 50 0 HHAARO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007191854 569228114 /nfs/dbraw/zinc/22/81/14/569228114.db2.gz RDSJYKRISOPYFL-QZTJIDSGSA-N 1 0 418.607 3.709 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065475740 569231519 /nfs/dbraw/zinc/23/15/19/569231519.db2.gz OKNFMVFGSIIFFI-LJQANCHMSA-N 1 0 410.537 3.747 50 0 HHAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(CN2CCCC2=O)c1 ZINC000007449063 569239424 /nfs/dbraw/zinc/23/94/24/569239424.db2.gz PZDVEXVQWKDXFP-UHFFFAOYSA-N 1 0 405.542 3.725 50 0 HHAARO CC[C@@H]1CN(C(=O)Nc2nc(-c3cccnc3)cs2)[C@@H](CC)C[N@@H+]1CC(C)(C)O ZINC000170613510 569246893 /nfs/dbraw/zinc/24/68/93/569246893.db2.gz DGVXAVIHODYYOB-SJORKVTESA-N 1 0 417.579 3.683 50 0 HHAARO COc1ccc2c(c1)snc2C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000170613530 569246936 /nfs/dbraw/zinc/24/69/36/569246936.db2.gz FEAVXISVVGMVCF-SFHVURJKSA-N 1 0 411.527 3.880 50 0 HHAARO O=C(NCC1([NH+]2CCCCC2)CCCCC1)C1CCN(C(=O)c2cccs2)CC1 ZINC000009954185 569252641 /nfs/dbraw/zinc/25/26/41/569252641.db2.gz UUAUFORZZGNWNO-UHFFFAOYSA-N 1 0 417.619 3.905 50 0 HHAARO O=S(=O)(CCC[NH2+]Cc1ccc(F)c(Br)c1)Cc1ccccc1 ZINC000237741407 569281880 /nfs/dbraw/zinc/28/18/80/569281880.db2.gz CAIUKGQZAVARDQ-UHFFFAOYSA-N 1 0 400.313 3.683 50 0 HHAARO Cc1ccc(CN2CCC([NH+]3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)o1 ZINC000252498683 569290965 /nfs/dbraw/zinc/29/09/65/569290965.db2.gz RIMVUMQSKCPUNR-UHFFFAOYSA-N 1 0 408.468 3.788 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)n(C(C)(C)C)n1 ZINC000253417380 569367447 /nfs/dbraw/zinc/36/74/47/569367447.db2.gz SBSQIYPSGJBGMP-SIXWZSSISA-N 1 0 421.586 3.509 50 0 HHAARO CC1CC[NH+](CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1 ZINC000002439691 569400159 /nfs/dbraw/zinc/40/01/59/569400159.db2.gz JOPYSHUIKNLFHH-UHFFFAOYSA-N 1 0 412.559 3.649 50 0 HHAARO COC(=O)c1cccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000013363888 569412048 /nfs/dbraw/zinc/41/20/48/569412048.db2.gz XBXRXZHJZCEXGF-UHFFFAOYSA-N 1 0 413.493 3.689 50 0 HHAARO Cc1nc2ccccc2n1CCCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000328593978 569415679 /nfs/dbraw/zinc/41/56/79/569415679.db2.gz FQWOOWVGGFGKOR-RUZDIDTESA-N 1 0 406.574 3.866 50 0 HHAARO OC1CC[NH+](Cc2ccccc2NCc2cc3c(c(Br)c2)OCO3)CC1 ZINC000078823120 569420727 /nfs/dbraw/zinc/42/07/27/569420727.db2.gz IDVNHRKILMCTPX-UHFFFAOYSA-N 1 0 419.319 3.747 50 0 HHAARO C[C@H]1C[C@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@@H+]1C ZINC000078870211 569421014 /nfs/dbraw/zinc/42/10/14/569421014.db2.gz OIOJDZZVRKWRCQ-KBXCAEBGSA-N 1 0 405.336 3.922 50 0 HHAARO Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1 ZINC000040043166 571142977 /nfs/dbraw/zinc/14/29/77/571142977.db2.gz UIVYPRRDBJSMNK-MRXNPFEDSA-N 1 0 415.588 3.787 50 0 HHAARO c1cc(-c2nc3ccccc3c(NC[C@H]([C@@H]3CCOC3)[NH+]3CCOCC3)n2)cs1 ZINC000040051252 571144959 /nfs/dbraw/zinc/14/49/59/571144959.db2.gz GGGAUBKPRTWGFG-OXQOHEQNSA-N 1 0 410.543 3.508 50 0 HHAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000040104237 571164986 /nfs/dbraw/zinc/16/49/86/571164986.db2.gz HBNBDBWFKRMGAG-HNNXBMFYSA-N 1 0 416.547 3.843 50 0 HHAARO C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1 ZINC000040121006 571176944 /nfs/dbraw/zinc/17/69/44/571176944.db2.gz JNYISMDPEKAOFB-KRWDZBQOSA-N 1 0 419.447 3.754 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000008995748 571208543 /nfs/dbraw/zinc/20/85/43/571208543.db2.gz LXGWRKRXKJDGPC-GERBCZOESA-N 1 0 407.514 3.814 50 0 HHAARO COc1ccc(OC)c([C@H](C)NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c1 ZINC000245237274 571219269 /nfs/dbraw/zinc/21/92/69/571219269.db2.gz HSPPQZKLKPXMJC-FUHWJXTLSA-N 1 0 418.559 3.624 50 0 HHAARO Cc1ccc([C@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCC2)c(C)c1 ZINC000245237897 571219629 /nfs/dbraw/zinc/21/96/29/571219629.db2.gz GLRVVZPGYJKNEX-CPJSRVTESA-N 1 0 419.569 3.702 50 0 HHAARO COc1ccccc1[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CC[NH+](C)C ZINC000009328248 571248344 /nfs/dbraw/zinc/24/83/44/571248344.db2.gz VNJIOLZNRNJTEM-NRFANRHFSA-N 1 0 406.482 3.525 50 0 HHAARO CCc1nc2ccccc2n1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000009378343 571253256 /nfs/dbraw/zinc/25/32/56/571253256.db2.gz TVGHWPHTXUYGTA-HSZRJFAPSA-N 1 0 420.557 3.951 50 0 HHAARO O=C1c2cccn2CC[C@H]1[C@H](O)c1cc[n+](Cc2ccccc2Br)cc1 ZINC000009498896 571263201 /nfs/dbraw/zinc/26/32/01/571263201.db2.gz AOIWHXZUIXYBOK-FXAWDEMLSA-N 1 0 412.307 3.523 50 0 HHAARO O=C(CCNC(=O)c1ccccc1Cl)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000009514970 571264790 /nfs/dbraw/zinc/26/47/90/571264790.db2.gz JVYGNMFHWSZGSK-UHFFFAOYSA-N 1 0 405.970 3.765 50 0 HHAARO Cc1ccc(/C=C(\C(=O)N(CC[NH+](C)C)Cc2ccccc2)n2ccccc2=O)cc1 ZINC000009762476 571284673 /nfs/dbraw/zinc/28/46/73/571284673.db2.gz WUBIZXDXALSCQG-LYBHJNIJSA-N 1 0 415.537 3.745 50 0 HHAARO COc1ccc2c(CC(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)coc2c1 ZINC000009884408 571289349 /nfs/dbraw/zinc/28/93/49/571289349.db2.gz PCGXRHHTEAZMFX-OAQYLSRUSA-N 1 0 408.498 3.946 50 0 HHAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCCC2)n3C)cc1 ZINC000009942323 571291173 /nfs/dbraw/zinc/29/11/73/571291173.db2.gz AWQYLGIFSOXEGT-UHFFFAOYSA-N 1 0 422.529 3.975 50 0 HHAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000010334048 571300584 /nfs/dbraw/zinc/30/05/84/571300584.db2.gz KIAOCLLHAVETCZ-JOCHJYFZSA-N 1 0 405.473 3.871 50 0 HHAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccc(F)cc1 ZINC000010334037 571300719 /nfs/dbraw/zinc/30/07/19/571300719.db2.gz LIHAAQXEJVZOQS-JOCHJYFZSA-N 1 0 405.473 3.871 50 0 HHAARO COC(=O)c1ccc(C[NH+]2CCC(COCc3cc(OC)cc(OC)c3)CC2)o1 ZINC000077191458 571312227 /nfs/dbraw/zinc/31/22/27/571312227.db2.gz CMOZNYCTBXILOK-UHFFFAOYSA-N 1 0 403.475 3.512 50 0 HHAARO CC(C)OCCC[NH2+][C@@H]1CCc2c(sc3ncn(Cc4ccccc4)c(=O)c32)C1 ZINC000011787730 962190982 /nfs/dbraw/zinc/19/09/82/962190982.db2.gz ICWCEZPPSSNQKF-GOSISDBHSA-N 1 0 411.571 3.768 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3cccc4ccccc43)CC2)O1)C1CCOCC1 ZINC000011872780 962204798 /nfs/dbraw/zinc/20/47/98/962204798.db2.gz LWCJNYXWPVZGGZ-QHCPKHFHSA-N 1 0 422.569 3.896 50 0 HHAARO COc1ccc2ccccc2c1C[NH2+]CCn1cc(C(=O)Nc2ccccc2C)nn1 ZINC000011910979 962207775 /nfs/dbraw/zinc/20/77/75/962207775.db2.gz UWFQFVTZMYYYSQ-UHFFFAOYSA-N 1 0 415.497 3.790 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCc4ccccn4)C3)C2)c1OC ZINC000011933411 962210349 /nfs/dbraw/zinc/21/03/49/962210349.db2.gz WTQYFIMKLDVEAT-RUZDIDTESA-N 1 0 423.557 3.546 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC ZINC000012073538 962233507 /nfs/dbraw/zinc/23/35/07/962233507.db2.gz IWRFYUDAOAOWFC-HXUWFJFHSA-N 1 0 421.541 3.964 50 0 HHAARO Cc1cc2nc(N3CCC[N@H+](Cc4cccc(OCCO)c4)CC3)nc(C)c2cc1C ZINC000012148921 962244576 /nfs/dbraw/zinc/24/45/76/962244576.db2.gz AZHMWPJUIAYXQQ-UHFFFAOYSA-N 1 0 420.557 3.638 50 0 HHAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@@H]2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012132772 962245197 /nfs/dbraw/zinc/24/51/97/962245197.db2.gz VMMQYYHLWDWPNO-MRXNPFEDSA-N 1 0 424.526 3.674 50 0 HHAARO Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](CC[C@H](C)c4ccccc4)CC3)O2)n(C)n1 ZINC000012135786 962245254 /nfs/dbraw/zinc/24/52/54/962245254.db2.gz LMWHMDYKNKMUFL-UGKGYDQZSA-N 1 0 424.589 3.666 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000012316958 962270329 /nfs/dbraw/zinc/27/03/29/962270329.db2.gz IMIHFYMDCXYEFP-LJQANCHMSA-N 1 0 420.557 3.527 50 0 HHAARO COc1ccc2c(c1)c(C(=O)N[C@@H]1CCC[N@@H+](C3Cc4ccccc4C3)C1)c(C)n2C ZINC000012434658 962278684 /nfs/dbraw/zinc/27/86/84/962278684.db2.gz MFBDGIOBFQZHCN-HXUWFJFHSA-N 1 0 417.553 3.857 50 0 HHAARO CC1CC[NH+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)CC1 ZINC000012457329 962284570 /nfs/dbraw/zinc/28/45/70/962284570.db2.gz WUWRFQOWEXGMHV-UHFFFAOYSA-N 1 0 407.436 3.556 50 0 HHAARO COc1cc2c(cc1OC)C[N@@H+]([C@H]1CCCN(C(=O)/C=C/c3cccs3)C1)CC2 ZINC000012470209 962285534 /nfs/dbraw/zinc/28/55/34/962285534.db2.gz BUOAUVZTDOBLNV-UCFODXPJSA-N 1 0 412.555 3.828 50 0 HHAARO Cc1nc(C)c(CC(=O)N(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)s1 ZINC000014949114 962612660 /nfs/dbraw/zinc/61/26/60/962612660.db2.gz UHEVTUKZXHOYRA-UHFFFAOYSA-N 1 0 403.567 3.855 50 0 HHAARO C[N@@H+]1CC[C@](C)(CNC(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1 ZINC000020775094 963394938 /nfs/dbraw/zinc/39/49/38/963394938.db2.gz NCLXFORXVHNPKV-OAQYLSRUSA-N 1 0 416.953 3.584 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccc2ccccc2c1 ZINC000023362295 963808022 /nfs/dbraw/zinc/80/80/22/963808022.db2.gz VTTAPJFYYROSDO-RPWUZVMVSA-N 1 0 405.517 3.848 50 0 HHAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1ccccc1C(F)(F)F)CCO2 ZINC000067772252 968784369 /nfs/dbraw/zinc/78/43/69/968784369.db2.gz BGFOJKATQFWEPY-NRFANRHFSA-N 1 0 408.464 3.869 50 0 HHAARO Cc1oc2c(c1C(=O)NCC[N@H+]1CCC[C@H](C)C1)CN(Cc1cccc(F)c1)CC2 ZINC000107472748 969309680 /nfs/dbraw/zinc/30/96/80/969309680.db2.gz OFHVAAPHTISKJI-KRWDZBQOSA-N 1 0 413.537 3.747 50 0 HHAARO Cc1oc2c(c1C(=O)NCC[N@H+]1CCCC[C@@H]1C)CN(Cc1cccc(F)c1)CC2 ZINC000107472753 969309953 /nfs/dbraw/zinc/30/99/53/969309953.db2.gz FCFXUMTURYJEOX-KRWDZBQOSA-N 1 0 413.537 3.890 50 0 HHAARO CCOCCCNC(=O)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000169777151 970479542 /nfs/dbraw/zinc/47/95/42/970479542.db2.gz YMPSFRFFHDHSQX-UHFFFAOYSA-N 1 0 423.557 3.576 50 0 HHAARO Cc1noc([C@@]23C[N@H+](CCc4ccccc4)C[C@@H]2CCN(Cc2ccccc2)C3)n1 ZINC000257174955 970615910 /nfs/dbraw/zinc/61/59/10/970615910.db2.gz MITOHCLADZYUKA-ZCYQVOJMSA-N 1 0 402.542 3.696 50 0 HHAARO CC(C)C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1cccs1)Cc1ccccc1O2 ZINC000257190617 970623947 /nfs/dbraw/zinc/62/39/47/970623947.db2.gz NCGSCMJPMMMIEL-UHFFFAOYSA-N 1 0 420.600 3.822 50 0 HHAARO O=C(c1ccccc1)N1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257193186 970624709 /nfs/dbraw/zinc/62/47/09/970624709.db2.gz XQORZZZSZMYNDI-HSZRJFAPSA-N 1 0 415.541 3.778 50 0 HHAARO C/C(=C\c1ccccc1)CN1CCOc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000299771835 970721980 /nfs/dbraw/zinc/72/19/80/970721980.db2.gz VXXQQNCGUUAICH-POEBIKTISA-N 1 0 419.569 3.682 50 0 HHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000000795517 132232918 /nfs/dbraw/zinc/23/29/18/132232918.db2.gz FRVYMKBSTZUOIX-UHFFFAOYSA-N 1 0 407.558 3.646 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc(Cl)c2)CC1 ZINC000004711667 132285308 /nfs/dbraw/zinc/28/53/08/132285308.db2.gz XFSJYUSZYIEEFZ-UHFFFAOYSA-N 1 0 401.894 3.521 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)ccc3OC)cc2)CC1 ZINC000004998484 132298063 /nfs/dbraw/zinc/29/80/63/132298063.db2.gz ZZAVNCPZXVRITD-UHFFFAOYSA-N 1 0 418.335 3.852 50 0 HHAARO O=C1C[C@@H]([C@@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000005015881 132298299 /nfs/dbraw/zinc/29/82/99/132298299.db2.gz PRWLXEWVCXUWJE-VXKWHMMOSA-N 1 0 423.557 3.573 50 0 HHAARO Cc1cc2nc(N3CCC([NH2+]CCSc4nccn4C)CC3)nc(C)c2cc1C ZINC000011912013 132352190 /nfs/dbraw/zinc/35/21/90/132352190.db2.gz DWLKWCVHUQILGQ-UHFFFAOYSA-N 1 0 410.591 3.639 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)cc2)CC1 ZINC000011945758 132352527 /nfs/dbraw/zinc/35/25/27/132352527.db2.gz NGUIKPXIAIZQKJ-UHFFFAOYSA-N 1 0 410.543 3.515 50 0 HHAARO O=C(Nc1ccc(N2CCC([NH2+]CCOc3cccnc3)CC2)cc1)C1CCCC1 ZINC000012099467 132354180 /nfs/dbraw/zinc/35/41/80/132354180.db2.gz XACDACIOZNACOB-UHFFFAOYSA-N 1 0 408.546 3.848 50 0 HHAARO O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000012135936 132354759 /nfs/dbraw/zinc/35/47/59/132354759.db2.gz TYULSCSXJNEAJF-UHFFFAOYSA-N 1 0 421.541 3.846 50 0 HHAARO O=C(CC[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(Cl)c1 ZINC000012736222 132366296 /nfs/dbraw/zinc/36/62/96/132366296.db2.gz LMOKJBZAYJVGFI-UHFFFAOYSA-N 1 0 412.843 3.905 50 0 HHAARO CC(C)(CO)C[NH+]1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000020598650 519277915 /nfs/dbraw/zinc/27/79/15/519277915.db2.gz GRGOUQISPPNVIE-UHFFFAOYSA-N 1 0 405.930 3.836 50 0 HHAARO CC(C)n1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000072401970 519939139 /nfs/dbraw/zinc/93/91/39/519939139.db2.gz RNBXSHYHJMTWDB-UHFFFAOYSA-N 1 0 403.526 3.977 50 0 HHAARO CCOc1ccc(-c2nc(-c3cccc4c3CC[C@H]4[NH2+]CCO)no2)cc1OCC ZINC000044018872 520812771 /nfs/dbraw/zinc/81/27/71/520812771.db2.gz NUIKTBLZSPQGCP-LJQANCHMSA-N 1 0 409.486 3.770 50 0 in-vitro HHAARO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)c1ccccc1 ZINC000032819101 520831744 /nfs/dbraw/zinc/83/17/44/520831744.db2.gz CZKOIRBSFKIUMS-SGWGQVFISA-N 1 0 410.514 3.679 50 0 HHAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000032870717 521296641 /nfs/dbraw/zinc/29/66/41/521296641.db2.gz LQIWFSIXVHEJKL-IBGZPJMESA-N 1 0 408.498 3.521 50 0 HHAARO CCCn1nc(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)c2ccccc2c1=O ZINC000031941114 521664634 /nfs/dbraw/zinc/66/46/34/521664634.db2.gz MQYVJBGJTACGJP-UHFFFAOYSA-N 1 0 422.529 3.779 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)cc3F)c(C)c2)CC1 ZINC000032772068 521698989 /nfs/dbraw/zinc/69/89/89/521698989.db2.gz BHTXEKMPYYKCCM-INIZCTEOSA-N 1 0 402.489 3.854 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1ccccc1Cl ZINC000032576246 521744995 /nfs/dbraw/zinc/74/49/95/521744995.db2.gz BRTAIAWAOFNFNP-RXVVDRJESA-N 1 0 418.006 3.931 50 0 HHAARO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2cccc(OCc3ccccc3)c2)c1 ZINC000032937369 521922876 /nfs/dbraw/zinc/92/28/76/521922876.db2.gz GXHNMDLOWQSLGM-UHFFFAOYSA-N 1 0 417.509 3.582 50 0 HHAARO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000040162358 523098575 /nfs/dbraw/zinc/09/85/75/523098575.db2.gz HCPYGECYHALWDB-GOTSBHOMSA-N 1 0 419.521 3.925 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000020581385 523166227 /nfs/dbraw/zinc/16/62/27/523166227.db2.gz UCBZNWYQJMZBPF-HXUWFJFHSA-N 1 0 403.498 3.768 50 0 HHAARO CN1C(=O)c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2C1=O ZINC000032900663 523377934 /nfs/dbraw/zinc/37/79/34/523377934.db2.gz VJLMKCCCXXHYKV-UHFFFAOYSA-N 1 0 405.498 3.929 50 0 HHAARO COc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000032869841 524059334 /nfs/dbraw/zinc/05/93/34/524059334.db2.gz ARFCDDNJRIHGKV-UHFFFAOYSA-N 1 0 417.937 3.821 50 0 HHAARO COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)s2)[NH+](C)C)c1 ZINC000041799854 524095429 /nfs/dbraw/zinc/09/54/29/524095429.db2.gz HQVPSBKVHWEVHM-MRXNPFEDSA-N 1 0 413.499 3.635 50 0 HHAARO C[C@H](CN1CC2(CC[NH+](Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1 ZINC000072453548 524313167 /nfs/dbraw/zinc/31/31/67/524313167.db2.gz LXZABHDRWFNMGX-LJQANCHMSA-N 1 0 408.546 3.738 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)NCc3ccc(F)cc3)cc12 ZINC000020574574 525076812 /nfs/dbraw/zinc/07/68/12/525076812.db2.gz SWLDHCAWYLDOQS-UHFFFAOYSA-N 1 0 407.493 3.756 50 0 HHAARO C[C@@]12CN(C(=O)c3c[nH]c4ccccc34)C[C@@](C)(C[N@H+](Cc3ccccc3)C1)C2=O ZINC000031813218 525916196 /nfs/dbraw/zinc/91/61/96/525916196.db2.gz RZSYWMCBCKAULF-PLQXJYEYSA-N 1 0 401.510 3.721 50 0 HHAARO O=C(NCC[NH+]1CCCC1)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355768 526306539 /nfs/dbraw/zinc/30/65/39/526306539.db2.gz GROQPCFLDCSEMR-UHFFFAOYSA-N 1 0 413.330 3.528 50 0 HHAARO O=C(NCCc1cccc(Cl)c1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045754463 526415841 /nfs/dbraw/zinc/41/58/41/526415841.db2.gz PQBBIENHYVJILD-UHFFFAOYSA-N 1 0 407.345 3.895 50 0 HHAARO O=C(CCNC(=O)c1ccc(Cl)cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045831945 526504441 /nfs/dbraw/zinc/50/44/41/526504441.db2.gz NBMMSYQWBWOLBP-UHFFFAOYSA-N 1 0 405.970 3.575 50 0 HHAARO O=S(=O)(NCC1CC[NH+](Cc2ccsc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000043954020 527212647 /nfs/dbraw/zinc/21/26/47/527212647.db2.gz ABYYKTZCPNPYKT-UHFFFAOYSA-N 1 0 418.506 3.957 50 0 HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cncc(Br)c2)CC1 ZINC000009633765 535745823 /nfs/dbraw/zinc/74/58/23/535745823.db2.gz ZIUDVAFCBMUXAX-UHFFFAOYSA-N 1 0 423.742 3.892 50 0 HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000007364689 535745841 /nfs/dbraw/zinc/74/58/41/535745841.db2.gz BVLQUOLHXSATRU-UHFFFAOYSA-N 1 0 414.358 3.936 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000012558249 535753492 /nfs/dbraw/zinc/75/34/92/535753492.db2.gz GMRUHOGUABDINE-DEOSSOPVSA-N 1 0 418.541 3.731 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)CC1 ZINC000012558250 535753883 /nfs/dbraw/zinc/75/38/83/535753883.db2.gz GMRUHOGUABDINE-XMMPIXPASA-N 1 0 418.541 3.731 50 0 HHAARO CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697979 535954060 /nfs/dbraw/zinc/95/40/60/535954060.db2.gz KUNAZBXWDFJDAJ-UHFFFAOYSA-N 1 0 403.490 3.532 50 0 HHAARO COc1ccc([C@H]2CCCCC[N@@H+]2[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008747966 536938984 /nfs/dbraw/zinc/93/89/84/536938984.db2.gz LIFATGKQRGBHTA-LAUBAEHRSA-N 1 0 407.514 3.986 50 0 HHAARO COc1ccc([C@]2(O)CN3CCCSC3=[N+]2c2ccc(Br)cc2)cc1 ZINC000000624124 557020556 /nfs/dbraw/zinc/02/05/56/557020556.db2.gz YNBGUGODZUPOHM-LJQANCHMSA-N 1 0 420.352 3.628 50 0 HHAARO O=C(C1CC[NH+](C[C@@H]2CC=CCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000000795503 557083124 /nfs/dbraw/zinc/08/31/24/557083124.db2.gz RJWUKQZQIJQCMM-KGUVVTLUSA-N 1 0 407.602 3.912 50 0 HHAARO COc1ccc([C@@]2(O)CN(c3ccc(OC(F)F)cc3)C3=[N+]2CCCCC3)cc1 ZINC000001020675 557143953 /nfs/dbraw/zinc/14/39/53/557143953.db2.gz MTUSOZWNIFXTBY-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO COc1cc(OC)cc(-c2onc(C)c2C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000022634081 557300124 /nfs/dbraw/zinc/30/01/24/557300124.db2.gz NFFGMCMZKPJIEI-HNNXBMFYSA-N 1 0 401.507 3.662 50 0 HHAARO O=C(NCc1ccccn1)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000034668630 557362377 /nfs/dbraw/zinc/36/23/77/557362377.db2.gz OAZAEROXJZSIAG-UHFFFAOYSA-N 1 0 420.944 3.987 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccccn2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740526 557443997 /nfs/dbraw/zinc/44/39/97/557443997.db2.gz QNFNKYWEFPREMI-NZQKXSOJSA-N 1 0 413.537 3.567 50 0 HHAARO COc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)ccc1OCC(=O)NC(C)(C)C ZINC000004223014 557529835 /nfs/dbraw/zinc/52/98/35/557529835.db2.gz SHXWJBJFUSXLRS-UHFFFAOYSA-N 1 0 400.563 3.903 50 0 HHAARO O[C@@H](C[NH2+]C1CCN(Cc2ccccc2)CC1)COc1ccc(OC(F)(F)F)cc1 ZINC000004299426 557537477 /nfs/dbraw/zinc/53/74/77/557537477.db2.gz XBQREURTBQLEDU-IBGZPJMESA-N 1 0 424.463 3.579 50 0 HHAARO COc1cc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O ZINC000004618963 557573081 /nfs/dbraw/zinc/57/30/81/557573081.db2.gz IJWWXENHNDEFOY-ZHHULCEESA-N 1 0 406.954 3.907 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000004746285 557591952 /nfs/dbraw/zinc/59/19/52/557591952.db2.gz ZKIVYOQDMOYHQB-OAQYLSRUSA-N 1 0 424.541 3.509 50 0 HHAARO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccccc1Cl ZINC000005019614 557626607 /nfs/dbraw/zinc/62/66/07/557626607.db2.gz CBEIRONOJMSRFT-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO CC(C)C[NH+](CCNC(=O)COCc1cc(-c2ccc(F)cc2)on1)CC(C)C ZINC000006876477 557728083 /nfs/dbraw/zinc/72/80/83/557728083.db2.gz AVYLXLJGXWYBIB-UHFFFAOYSA-N 1 0 405.514 3.728 50 0 HHAARO COc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccc(Br)cc3)C2)cc1 ZINC000002966337 557777796 /nfs/dbraw/zinc/77/77/96/557777796.db2.gz IQAJXBOMJNIWSQ-FQEVSTJZSA-N 1 0 402.312 3.718 50 0 HHAARO Fc1ccc(-c2csc3ncnc(N4CCN(CC[NH+]5CCCC5)CC4)c23)cc1 ZINC000022781185 557819625 /nfs/dbraw/zinc/81/96/25/557819625.db2.gz HWVRUOKCVBOESN-UHFFFAOYSA-N 1 0 411.550 3.715 50 0 HHAARO O[C@@H](COCc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720979 558259300 /nfs/dbraw/zinc/25/93/00/558259300.db2.gz MSSZMIUMUQIRJI-AREMUKBSSA-N 1 0 416.565 3.971 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3nc4ccccc4[nH]3)CC2)O1)c1ccccc1 ZINC000011784695 558275698 /nfs/dbraw/zinc/27/56/98/558275698.db2.gz PHRWWDLORJYRHP-LJQANCHMSA-N 1 0 404.514 3.507 50 0 HHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000011813462 558278003 /nfs/dbraw/zinc/27/80/03/558278003.db2.gz YLNJHQHDZKABAK-IBGZPJMESA-N 1 0 420.981 3.786 50 0 HHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3c(OC)cc(OC)cc3OC)C2)c1 ZINC000011816403 558279861 /nfs/dbraw/zinc/27/98/61/558279861.db2.gz GWAWKBFUYXZIJO-DEOSSOPVSA-N 1 0 415.530 3.538 50 0 HHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2cccnc2)CC1 ZINC000011821382 558284426 /nfs/dbraw/zinc/28/44/26/558284426.db2.gz MWKUXZHHUBMMFE-UHFFFAOYSA-N 1 0 405.502 3.523 50 0 HHAARO CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cccn2-c2cccnc2)CC1 ZINC000011822078 558285012 /nfs/dbraw/zinc/28/50/12/558285012.db2.gz NLZONAITWZOBEJ-UHFFFAOYSA-N 1 0 406.534 3.891 50 0 HHAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000011838341 558285216 /nfs/dbraw/zinc/28/52/16/558285216.db2.gz RBYWWTQSWFIVHG-QHCPKHFHSA-N 1 0 401.503 3.823 50 0 HHAARO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2ccccc2OCCO)C1 ZINC000011843121 558288246 /nfs/dbraw/zinc/28/82/46/558288246.db2.gz LGOMANUODBUGRC-VWLOTQADSA-N 1 0 411.542 3.836 50 0 HHAARO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)c(C)c4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000011843987 558288848 /nfs/dbraw/zinc/28/88/48/558288848.db2.gz MOEWESIGMIOAHI-XTJBDQBJSA-N 1 0 406.526 3.950 50 0 HHAARO Cc1cc(C)n(CCN2C(=O)CC[C@@H]2CC[NH2+]Cc2cccc(C(F)(F)F)c2)n1 ZINC000011871303 558290491 /nfs/dbraw/zinc/29/04/91/558290491.db2.gz FSFPDBUAMVIYPK-LJQANCHMSA-N 1 0 408.468 3.690 50 0 HHAARO O=C1C[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000019848333 558294826 /nfs/dbraw/zinc/29/48/26/558294826.db2.gz VYHPNWLBYVEQIH-TYUXRXASSA-N 1 0 417.347 3.887 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1)c1ccc2[nH]ccc2c1 ZINC000011912350 558297025 /nfs/dbraw/zinc/29/70/25/558297025.db2.gz VLIRSOVTOXLEPG-OAQYLSRUSA-N 1 0 404.514 3.507 50 0 HHAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)c2c1 ZINC000019875173 558300020 /nfs/dbraw/zinc/30/00/20/558300020.db2.gz LCCWXBJQUAEVKF-FQEVSTJZSA-N 1 0 411.889 3.603 50 0 HHAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000012020574 558309427 /nfs/dbraw/zinc/30/94/27/558309427.db2.gz JBQWEWSFACOECP-HXUWFJFHSA-N 1 0 403.611 3.863 50 0 HHAARO C[C@H](NC(=O)CC[N@H+]1Cc2ccccc2O[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000012028133 558310662 /nfs/dbraw/zinc/31/06/62/558310662.db2.gz LEVBHEHWBXAUTO-OALUTQOASA-N 1 0 404.514 3.723 50 0 HHAARO CN(C(=O)c1cn(Cc2cccc3ccccc32)nn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012030805 558311180 /nfs/dbraw/zinc/31/11/80/558311180.db2.gz LWSUKCWNNLTQTF-UHFFFAOYSA-N 1 0 405.546 3.861 50 0 HHAARO COc1ccccc1OCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012049637 558313541 /nfs/dbraw/zinc/31/35/41/558313541.db2.gz FCFHONCSPXTZPZ-NRFANRHFSA-N 1 0 410.558 3.796 50 0 HHAARO CCCc1c(C)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000019943062 558314199 /nfs/dbraw/zinc/31/41/99/558314199.db2.gz AZQVFEBAHPQBTK-UHFFFAOYSA-N 1 0 402.542 3.942 50 0 HHAARO COc1ccccc1/C=C/C[NH+]1CCC2(C[C@H]2C(=O)NCc2cccc(C)n2)CC1 ZINC000012135946 558333836 /nfs/dbraw/zinc/33/38/36/558333836.db2.gz OTMLJAHXNUWWMZ-OUZREKFBSA-N 1 0 405.542 3.830 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000020119112 558336718 /nfs/dbraw/zinc/33/67/18/558336718.db2.gz UJGGCVWVCXQTIZ-ICSRJNTNSA-N 1 0 405.464 3.574 50 0 HHAARO Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020206369 558346858 /nfs/dbraw/zinc/34/68/58/558346858.db2.gz YRVFJHCJOVETFD-QFIPXVFZSA-N 1 0 406.574 3.731 50 0 HHAARO Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1 ZINC000020206373 558346906 /nfs/dbraw/zinc/34/69/06/558346906.db2.gz YRVFJHCJOVETFD-JOCHJYFZSA-N 1 0 406.574 3.731 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H]1CC=CCC1 ZINC000012205245 558352445 /nfs/dbraw/zinc/35/24/45/558352445.db2.gz ZVFMLXVAQNPHBS-NRFANRHFSA-N 1 0 400.563 3.739 50 0 HHAARO OCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)o1 ZINC000020386096 558358824 /nfs/dbraw/zinc/35/88/24/558358824.db2.gz VKYYEWBBFFOSJA-LJQANCHMSA-N 1 0 423.479 3.577 50 0 HHAARO O=C(c1nc2sccn2c1C[NH2+]CCc1ccccc1C(F)(F)F)N1CCCC1 ZINC000020389177 558358938 /nfs/dbraw/zinc/35/89/38/558358938.db2.gz KLRXGPYAJNFFHW-UHFFFAOYSA-N 1 0 422.476 3.983 50 0 HHAARO OCC[C@H]1CN(C2CCN(c3ccc(F)cc3)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000020454937 558368573 /nfs/dbraw/zinc/36/85/73/558368573.db2.gz LTMZNPJOHOZUQA-DEOSSOPVSA-N 1 0 403.586 3.743 50 0 HHAARO CC(C)(CO)C[NH2+]Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21 ZINC000012300106 558370063 /nfs/dbraw/zinc/37/00/63/558370063.db2.gz RMZVWZQSMLBFDS-UHFFFAOYSA-N 1 0 406.958 3.502 50 0 HHAARO COC(=O)CCC(=O)N(Cc1cccnc1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012308254 558376781 /nfs/dbraw/zinc/37/67/81/558376781.db2.gz LEKVIBPGFGILBO-UHFFFAOYSA-N 1 0 423.557 3.584 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)CSc1ccncc1 ZINC000012315086 558378559 /nfs/dbraw/zinc/37/85/59/558378559.db2.gz JNEZHKRPGKZHAX-GOSISDBHSA-N 1 0 401.551 3.726 50 0 HHAARO CCn1ccnc1CN(C)Cc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012317226 558380451 /nfs/dbraw/zinc/38/04/51/558380451.db2.gz FUVAZCXFLTZYNF-JOCHJYFZSA-N 1 0 414.594 3.539 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000020517983 558383077 /nfs/dbraw/zinc/38/30/77/558383077.db2.gz HJNRRLPQEFSWQY-QZMYASAMSA-N 1 0 403.526 3.905 50 0 HHAARO CN(CC1CC[NH+](CCc2ccccc2F)CC1)C(=O)Cc1ccc2c(c1)OCO2 ZINC000012385459 558394430 /nfs/dbraw/zinc/39/44/30/558394430.db2.gz RZDSGTXXBIUPLW-UHFFFAOYSA-N 1 0 412.505 3.510 50 0 HHAARO O=C(c1cccnc1)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000012430090 558404748 /nfs/dbraw/zinc/40/47/48/558404748.db2.gz KJNWHVLLYGEEOV-RUZDIDTESA-N 1 0 419.569 3.582 50 0 HHAARO COc1cccc(C(=O)[C@H]2CCC[N@H+](Cc3c(C)n(C)n(-c4ccccc4)c3=O)C2)c1 ZINC000020778196 558412569 /nfs/dbraw/zinc/41/25/69/558412569.db2.gz YBTOGCMWWUFSLW-FQEVSTJZSA-N 1 0 419.525 3.588 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 ZINC000012464515 558420113 /nfs/dbraw/zinc/42/01/13/558420113.db2.gz NOPYWVSREOIVNE-QFIPXVFZSA-N 1 0 417.550 3.656 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000020903599 558420819 /nfs/dbraw/zinc/42/08/19/558420819.db2.gz APCTZDOJFYDYMZ-UHFFFAOYSA-N 1 0 402.542 3.812 50 0 HHAARO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)c1 ZINC000012579893 558432313 /nfs/dbraw/zinc/43/23/13/558432313.db2.gz SHOXPSHQGFYRFF-FQEVSTJZSA-N 1 0 423.557 3.962 50 0 HHAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)c1 ZINC000012584255 558433619 /nfs/dbraw/zinc/43/36/19/558433619.db2.gz ABSYTHRBOWGRFO-KRWDZBQOSA-N 1 0 407.514 3.827 50 0 HHAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1O ZINC000012594230 558436846 /nfs/dbraw/zinc/43/68/46/558436846.db2.gz DOFURHDKPMPTHN-UHFFFAOYSA-N 1 0 424.476 3.826 50 0 HHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)C1 ZINC000012701673 558447679 /nfs/dbraw/zinc/44/76/79/558447679.db2.gz KSXGDLMWXICOPA-IBGZPJMESA-N 1 0 407.514 3.984 50 0 HHAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc4cccnc43)C2)c1OC ZINC000012701736 558448049 /nfs/dbraw/zinc/44/80/49/558448049.db2.gz VUEKUBAVGIHJPC-GOSISDBHSA-N 1 0 419.525 3.894 50 0 HHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2Cl)CC1 ZINC000012703158 558448496 /nfs/dbraw/zinc/44/84/96/558448496.db2.gz QHLHZEUGULXLPF-QGZVFWFLSA-N 1 0 408.970 3.826 50 0 HHAARO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000012754850 558459909 /nfs/dbraw/zinc/45/99/09/558459909.db2.gz ACYIFJVISTZKDH-UHFFFAOYSA-N 1 0 411.498 3.812 50 0 HHAARO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000010818367 558461349 /nfs/dbraw/zinc/46/13/49/558461349.db2.gz JANDAUQEERSEFV-UHFFFAOYSA-N 1 0 401.580 3.732 50 0 HHAARO C[C@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681448 558504440 /nfs/dbraw/zinc/50/44/40/558504440.db2.gz ZCKYHIMSUCITGF-UYAOXDASSA-N 1 0 413.587 3.846 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013038335 558505691 /nfs/dbraw/zinc/50/56/91/558505691.db2.gz SRLQCJSYFQWYGZ-GOSISDBHSA-N 1 0 417.575 3.623 50 0 HHAARO COc1ccc(-c2cc3ncnc(N4CCN(CC[NH+]5CCCC5)CC4)c3s2)cc1 ZINC000022784018 558510593 /nfs/dbraw/zinc/51/05/93/558510593.db2.gz CDXMINFLTPLVLP-UHFFFAOYSA-N 1 0 423.586 3.585 50 0 HHAARO O=c1[nH]c(CN2CC[NH+](CCCc3ccccc3)CC2)nc2sc3c(c21)CCCC3 ZINC000022802903 558513170 /nfs/dbraw/zinc/51/31/70/558513170.db2.gz PJAXJVPRPAOGMD-UHFFFAOYSA-N 1 0 422.598 3.614 50 0 HHAARO C[C@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022809926 558513984 /nfs/dbraw/zinc/51/39/84/558513984.db2.gz KVVMJHWTUJEWNN-VQIMIIECSA-N 1 0 421.010 3.697 50 0 HHAARO Cc1nc2sccn2c1CN1CCC[C@@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000022913815 558520618 /nfs/dbraw/zinc/52/06/18/558520618.db2.gz INBJZXFSTMIDRY-HXUWFJFHSA-N 1 0 409.603 3.799 50 0 HHAARO Cc1ccc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)c(Br)c1 ZINC000022929627 558523756 /nfs/dbraw/zinc/52/37/56/558523756.db2.gz ACEZZUTUAZLAIL-UHFFFAOYSA-N 1 0 416.363 3.904 50 0 HHAARO Cc1c2cccc(C)c2[nH]c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023145648 558538366 /nfs/dbraw/zinc/53/83/66/558538366.db2.gz MPJRRJUUIIWNGW-QFIPXVFZSA-N 1 0 412.622 3.526 50 0 HHAARO COc1ccc(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)cc1O ZINC000023358937 558551414 /nfs/dbraw/zinc/55/14/14/558551414.db2.gz XPGPAKLIAHRHIX-HXUWFJFHSA-N 1 0 414.546 3.557 50 0 HHAARO OCC[C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)CCN1CCCc1ccccc1 ZINC000023373900 558554152 /nfs/dbraw/zinc/55/41/52/558554152.db2.gz WZPORHGOAMRKDK-AREMUKBSSA-N 1 0 407.602 3.657 50 0 HHAARO COc1ccc(-c2cc(C(=O)NC3CC[NH+](C)CC3)c3ccccc3n2)cc1OC ZINC000023421722 558557998 /nfs/dbraw/zinc/55/79/98/558557998.db2.gz SMKORJUBNGJKBW-UHFFFAOYSA-N 1 0 405.498 3.743 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000023762572 558574773 /nfs/dbraw/zinc/57/47/73/558574773.db2.gz SISGFHBMKSDAPL-GOSISDBHSA-N 1 0 419.978 3.673 50 0 HHAARO COc1cc(C[NH2+]CCc2ccccc2F)ccc1Oc1nnnn1-c1ccccc1 ZINC000013717580 558580220 /nfs/dbraw/zinc/58/02/20/558580220.db2.gz JFNOZFOJQVZPLE-UHFFFAOYSA-N 1 0 419.460 3.935 50 0 HHAARO Cc1ccc([C@@H]([NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049045 558628469 /nfs/dbraw/zinc/62/84/69/558628469.db2.gz ZPNJQMMHMHYALU-JLTOFOAXSA-N 1 0 406.511 3.932 50 0 HHAARO COc1ccc([C@H](C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)N2CCOCC2)cc1 ZINC000025261988 558636154 /nfs/dbraw/zinc/63/61/54/558636154.db2.gz TWLADXAOARQDOH-QFIPXVFZSA-N 1 0 414.546 3.654 50 0 HHAARO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000025304302 558637270 /nfs/dbraw/zinc/63/72/70/558637270.db2.gz SFZKRBDTGDINFB-XLIONFOSSA-N 1 0 402.922 3.568 50 0 HHAARO O=C(C[NH+]1CCCC1)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000025418603 558640338 /nfs/dbraw/zinc/64/03/38/558640338.db2.gz NPDRRZBYLKAIED-LJQANCHMSA-N 1 0 402.420 3.883 50 0 HHAARO C[NH+](C)C1(CNC(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CCCCCC1 ZINC000025443973 558641200 /nfs/dbraw/zinc/64/12/00/558641200.db2.gz ULTADCNCKLFKFS-KRWDZBQOSA-N 1 0 409.983 3.914 50 0 HHAARO CC(C)N1C(=O)N(C)C2(CC[NH+](Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O ZINC000014532126 558656393 /nfs/dbraw/zinc/65/63/93/558656393.db2.gz LHFIESINGNGTTO-UHFFFAOYSA-N 1 0 403.526 3.895 50 0 HHAARO CC(C)CCN1C(=O)N(Cc2cccnc2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014537281 558658494 /nfs/dbraw/zinc/65/84/94/558658494.db2.gz PQMNJLORZUJOCR-UHFFFAOYSA-N 1 0 420.557 3.927 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccc1F)C2 ZINC000014539939 558659492 /nfs/dbraw/zinc/65/94/92/558659492.db2.gz QOZIIAMJDGWBMX-IBGZPJMESA-N 1 0 412.553 3.748 50 0 HHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014543181 558660840 /nfs/dbraw/zinc/66/08/40/558660840.db2.gz PJXUKERIHJIRLQ-HXUWFJFHSA-N 1 0 409.555 3.574 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000026567636 558663124 /nfs/dbraw/zinc/66/31/24/558663124.db2.gz BMFNKHBQIWHPNA-UHFFFAOYSA-N 1 0 423.948 3.897 50 0 HHAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]CC1(c3ccccc3)CCCC1)C2 ZINC000014731615 558665436 /nfs/dbraw/zinc/66/54/36/558665436.db2.gz XAMYXKXOYKRPQB-HXUWFJFHSA-N 1 0 406.574 3.615 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC)c1)C2 ZINC000014733156 558666106 /nfs/dbraw/zinc/66/61/06/558666106.db2.gz ARIKZDATTKTTEK-IBGZPJMESA-N 1 0 410.562 3.575 50 0 HHAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccsc3)CC2)C1=O ZINC000014745510 558668916 /nfs/dbraw/zinc/66/89/16/558668916.db2.gz GXNYUHHJSAJDKQ-UHFFFAOYSA-N 1 0 411.571 3.998 50 0 HHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014749397 558670361 /nfs/dbraw/zinc/67/03/61/558670361.db2.gz UOGHQJIOPCBJRQ-UHFFFAOYSA-N 1 0 413.543 3.576 50 0 HHAARO CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+](Cc1cccnc1)CC2 ZINC000014750298 558670572 /nfs/dbraw/zinc/67/05/72/558670572.db2.gz BETFJAGJAYTSBT-UHFFFAOYSA-N 1 0 414.509 3.664 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750637 558670901 /nfs/dbraw/zinc/67/09/01/558670901.db2.gz BEGZQFDSXPYPFH-IBGZPJMESA-N 1 0 415.578 3.791 50 0 HHAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014755698 558672085 /nfs/dbraw/zinc/67/20/85/558672085.db2.gz CPRLCPFNXOEAHM-UHFFFAOYSA-N 1 0 414.594 3.815 50 0 HHAARO COc1ccc2cc(C[NH2+]CC3(O)CCCCC3)c(N3CCSCC3)nc2c1 ZINC000014885830 558677402 /nfs/dbraw/zinc/67/74/02/558677402.db2.gz BOEHDNQCAFGKEC-UHFFFAOYSA-N 1 0 401.576 3.581 50 0 HHAARO CC(C)c1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)C4CCOCC4)O3)CC2)cc1 ZINC000014888268 558677816 /nfs/dbraw/zinc/67/78/16/558677816.db2.gz RUFUDJSQKBCXEU-HSZRJFAPSA-N 1 0 414.590 3.866 50 0 HHAARO CC(C)c1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014954890 558681995 /nfs/dbraw/zinc/68/19/95/558681995.db2.gz MSPREXONPCFQPL-QGZVFWFLSA-N 1 0 407.518 3.544 50 0 HHAARO COC(=O)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1 ZINC000014955621 558682310 /nfs/dbraw/zinc/68/23/10/558682310.db2.gz ZWSMVPUSGPFIBS-GOSISDBHSA-N 1 0 412.505 3.639 50 0 HHAARO CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000014956569 558682719 /nfs/dbraw/zinc/68/27/19/558682719.db2.gz BSVSVQFTYQSGHE-KRWDZBQOSA-N 1 0 410.514 3.829 50 0 HHAARO CC[C@@H](O)C1CCN(C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000014960786 558683952 /nfs/dbraw/zinc/68/39/52/558683952.db2.gz RMEMMCJYSNKROE-OAQYLSRUSA-N 1 0 418.578 3.570 50 0 HHAARO CC(=O)Nc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)cc1 ZINC000014966382 558685978 /nfs/dbraw/zinc/68/59/78/558685978.db2.gz SFJSLFXJRHGTPO-UHFFFAOYSA-N 1 0 421.541 3.924 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000072272917 558692736 /nfs/dbraw/zinc/69/27/36/558692736.db2.gz GNGGDVXREYXEDZ-UHFFFAOYSA-N 1 0 414.377 3.694 50 0 HHAARO CCOc1cc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)ccc1OC ZINC000014989766 558693752 /nfs/dbraw/zinc/69/37/52/558693752.db2.gz XULMISHNBDAGMU-UHFFFAOYSA-N 1 0 406.530 3.529 50 0 HHAARO CC(=O)N1CCN(Cc2ccc3c(c2)C[N@@H+](Cc2cc(C)c(C)cc2C)CCO3)CC1 ZINC000014990409 558694156 /nfs/dbraw/zinc/69/41/56/558694156.db2.gz BHAKRQUQLRROSR-UHFFFAOYSA-N 1 0 421.585 3.671 50 0 HHAARO O=C(CCCc1ccccc1)NC[C@@H]1CCC2(CC[NH+](Cc3ccncc3)CC2)O1 ZINC000014990572 558694336 /nfs/dbraw/zinc/69/43/36/558694336.db2.gz NFIPHPUBYLSERI-QHCPKHFHSA-N 1 0 407.558 3.734 50 0 HHAARO C[N@H+](Cc1nccs1)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000014994041 558695518 /nfs/dbraw/zinc/69/55/18/558695518.db2.gz OPXAKUSZEIJUBQ-AWEZNQCLSA-N 1 0 407.923 3.538 50 0 HHAARO Cc1ccccc1C[NH2+][C@@H]1CCc2c(sc3ncn(Cc4ccccn4)c(=O)c32)C1 ZINC000014994705 558695882 /nfs/dbraw/zinc/69/58/82/558695882.db2.gz IIPLNAWXJUHLQL-GOSISDBHSA-N 1 0 416.550 3.857 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)COc3ccc(C(C)C)cc3)CCCCC2)CC1 ZINC000028293166 558698283 /nfs/dbraw/zinc/69/82/83/558698283.db2.gz VFBSPEHZIACTLK-UHFFFAOYSA-N 1 0 401.595 3.645 50 0 HHAARO C[NH+](C)CCN(CCCc1ccccc1)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000072274731 558700498 /nfs/dbraw/zinc/70/04/98/558700498.db2.gz ZHGDBJSCCGEMQP-UHFFFAOYSA-N 1 0 412.559 3.754 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015064585 558707574 /nfs/dbraw/zinc/70/75/74/558707574.db2.gz XMSDWRQGCTXPTI-IBGZPJMESA-N 1 0 402.608 3.604 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)CC1 ZINC000015064593 558707638 /nfs/dbraw/zinc/70/76/38/558707638.db2.gz QNIAAFPKSWOAQZ-SFHVURJKSA-N 1 0 419.541 3.555 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2c(C)nn(C)c2Cl)C1 ZINC000015065175 558708091 /nfs/dbraw/zinc/70/80/91/558708091.db2.gz PILVLSWNVXBEES-GOSISDBHSA-N 1 0 404.986 3.777 50 0 HHAARO C[NH+](C)C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028971559 558708240 /nfs/dbraw/zinc/70/82/40/558708240.db2.gz JRWNHMFFAXYRSQ-SJLPKXTDSA-N 1 0 403.935 3.562 50 0 HHAARO O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015072722 558713810 /nfs/dbraw/zinc/71/38/10/558713810.db2.gz ARJOCDVSDCPEHO-XMMPIXPASA-N 1 0 423.601 3.896 50 0 HHAARO O=C(NCc1ccccn1)c1ccc(OC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000015073082 558713957 /nfs/dbraw/zinc/71/39/57/558713957.db2.gz QXAUATWXMRUKRU-UHFFFAOYSA-N 1 0 411.571 3.750 50 0 HHAARO Cc1nn2c(nc(N(C)C3CC[NH+](C[C@H]4CCOC4)CC3)c3ccccc32)c1Cl ZINC000072301770 558751617 /nfs/dbraw/zinc/75/16/17/558751617.db2.gz HFXASQXXEPOBGN-MRXNPFEDSA-N 1 0 413.953 3.781 50 0 HHAARO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)cc1OC ZINC000006761914 558781878 /nfs/dbraw/zinc/78/18/78/558781878.db2.gz DNZHPHUYXYMNNV-UHFFFAOYSA-N 1 0 402.922 3.886 50 0 HHAARO COc1ccc(CCNC(=O)c2ccccc2NC(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000016445568 558791425 /nfs/dbraw/zinc/79/14/25/558791425.db2.gz FNNCUGPBTHXSEB-UHFFFAOYSA-N 1 0 423.557 3.871 50 0 HHAARO O=C(C[NH2+]CCOc1ccccc1F)N1c2ccccc2OC[C@@H]1c1ccccc1 ZINC000016695491 558800957 /nfs/dbraw/zinc/80/09/57/558800957.db2.gz ARTMPIKNOFHFAB-OAQYLSRUSA-N 1 0 406.457 3.961 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000016750972 558804726 /nfs/dbraw/zinc/80/47/26/558804726.db2.gz PFZUGIXEKOBHQW-NRFANRHFSA-N 1 0 424.472 3.828 50 0 HHAARO COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)[NH+]2CCCC2)c1 ZINC000032988485 558808269 /nfs/dbraw/zinc/80/82/69/558808269.db2.gz WNOSIYPDVROJQL-QFIPXVFZSA-N 1 0 407.514 3.611 50 0 HHAARO CN1[C@@H](c2ccccc2F)[C@@H](C[NH2+]Cc2ccc(OC(F)(F)F)cc2)C[C@H]1CO ZINC000039379630 558820592 /nfs/dbraw/zinc/82/05/92/558820592.db2.gz AVLCSKQZYFISMF-GQIGUUNPSA-N 1 0 412.427 3.868 50 0 HHAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000018223022 558834064 /nfs/dbraw/zinc/83/40/64/558834064.db2.gz WAXGRWIQAUQRKP-GOSISDBHSA-N 1 0 401.388 3.651 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3F)C[C@@H]2CCO)c(C)c1C ZINC000019222800 558852441 /nfs/dbraw/zinc/85/24/41/558852441.db2.gz ADDCXGLYTGBESL-NRFANRHFSA-N 1 0 404.501 3.659 50 0 HHAARO CC(=O)c1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000055270243 558878047 /nfs/dbraw/zinc/87/80/47/558878047.db2.gz VSOKGLAEAMIXDI-HSZRJFAPSA-N 1 0 406.530 3.708 50 0 HHAARO C/C(=C\c1ccco1)C[N@H+]1CCc2nnc([C@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000055568756 558882920 /nfs/dbraw/zinc/88/29/20/558882920.db2.gz CAPFZVDNLCGGMR-LQATUXICSA-N 1 0 419.529 3.632 50 0 HHAARO Cc1c(C(=O)N[C@@H](C)CCc2ccccc2)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048254 558884854 /nfs/dbraw/zinc/88/48/54/558884854.db2.gz WHDCWGRRHZCPJG-INIZCTEOSA-N 1 0 423.586 3.503 50 0 HHAARO CC[C@@H](C)NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033129355 558885304 /nfs/dbraw/zinc/88/53/04/558885304.db2.gz VDEMXSAIXPDXAA-QGZVFWFLSA-N 1 0 409.534 3.838 50 0 HHAARO C[C@H]([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(Cl)c1 ZINC000058135679 558901018 /nfs/dbraw/zinc/90/10/18/558901018.db2.gz WGHVVWWZLXSYFH-NSHDSACASA-N 1 0 424.284 3.764 50 0 HHAARO Cc1cccc(N2C[C@@H](C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)CC2=O)c1C ZINC000058151295 558902537 /nfs/dbraw/zinc/90/25/37/558902537.db2.gz GJGKSHOIYOUUHD-FQEVSTJZSA-N 1 0 423.582 3.844 50 0 HHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1cccc(C(F)(F)F)c1 ZINC000058159665 558904604 /nfs/dbraw/zinc/90/46/04/558904604.db2.gz KYIQBATULIXAPX-CYBMUJFWSA-N 1 0 405.420 3.887 50 0 HHAARO COc1ccc(F)cc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058406814 558924683 /nfs/dbraw/zinc/92/46/83/558924683.db2.gz OQHABXCMSOTJIF-OAHLLOKOSA-N 1 0 403.473 3.998 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)NCCNc1nc(N2CCCCC2)cc(C)[nH+]1 ZINC000072115879 558926920 /nfs/dbraw/zinc/92/69/20/558926920.db2.gz FNOUCNKVVABLTJ-UHFFFAOYSA-N 1 0 418.929 3.671 50 0 HHAARO CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000058467155 558927933 /nfs/dbraw/zinc/92/79/33/558927933.db2.gz HDTJIBNWXVRKSM-NRFANRHFSA-N 1 0 411.546 3.900 50 0 HHAARO CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000058467167 558928012 /nfs/dbraw/zinc/92/80/12/558928012.db2.gz ZYAWXOVYMBKOJO-OAQYLSRUSA-N 1 0 411.546 3.900 50 0 HHAARO O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCCC[NH+]1CCCCC1 ZINC000021915641 558971909 /nfs/dbraw/zinc/97/19/09/558971909.db2.gz HWDFQUSWAGWXLS-UHFFFAOYSA-N 1 0 420.513 3.775 50 0 HHAARO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000072421560 558978457 /nfs/dbraw/zinc/97/84/57/558978457.db2.gz DDAYVCCBRHHILS-HXUWFJFHSA-N 1 0 405.498 3.677 50 0 HHAARO Cc1ccc(C[NH+]2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000067601876 558987520 /nfs/dbraw/zinc/98/75/20/558987520.db2.gz IZHSGIVQNAMWMQ-UHFFFAOYSA-N 1 0 410.543 3.977 50 0 HHAARO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000067629607 558990228 /nfs/dbraw/zinc/99/02/28/558990228.db2.gz WCGUIEQGOUVDSK-UHFFFAOYSA-N 1 0 410.905 3.918 50 0 HHAARO Cc1ccc(-c2noc(CN(C)C(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000067629500 558990305 /nfs/dbraw/zinc/99/03/05/558990305.db2.gz QABRZUZFTNKJOU-UHFFFAOYSA-N 1 0 404.514 3.916 50 0 HHAARO COc1ccc(NC(=O)C2([N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)CCCCC2)cc1 ZINC000043736685 558991781 /nfs/dbraw/zinc/99/17/81/558991781.db2.gz JPOZDPITGXJBJC-RBUKOAKNSA-N 1 0 421.541 3.618 50 0 biogenic HHAARO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(Cc4nccs4)C3)CC2)c1 ZINC000067909761 558994722 /nfs/dbraw/zinc/99/47/22/558994722.db2.gz GHWXLXAEEMHUKF-SFHVURJKSA-N 1 0 410.509 3.949 50 0 HHAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000023127731 559016014 /nfs/dbraw/zinc/01/60/14/559016014.db2.gz DKDYJQNNKKGOQN-UHFFFAOYSA-N 1 0 414.980 3.601 50 0 HHAARO CCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCCC1 ZINC000082138816 559040659 /nfs/dbraw/zinc/04/06/59/559040659.db2.gz LZAGTCHOUVZYDA-QFIPXVFZSA-N 1 0 412.622 3.939 50 0 HHAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(C)c1C ZINC000091746505 559073391 /nfs/dbraw/zinc/07/33/91/559073391.db2.gz BJBYZGRWHJDQHD-NRFANRHFSA-N 1 0 400.563 3.696 50 0 HHAARO CCn1c2ccccc2nc1SCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000011421451 559075601 /nfs/dbraw/zinc/07/56/01/559075601.db2.gz INTDPEZPBHXDCM-UHFFFAOYSA-N 1 0 408.571 3.929 50 0 HHAARO O=C(c1ccc(COc2cccc(Br)c2)o1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072288406 559076539 /nfs/dbraw/zinc/07/65/39/559076539.db2.gz AOWQHNXCQNGGJO-INIZCTEOSA-N 1 0 419.319 3.931 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1nc2ccccc2[nH]1 ZINC000011547685 559089171 /nfs/dbraw/zinc/08/91/71/559089171.db2.gz QAPLJPRQKPAEIV-UHFFFAOYSA-N 1 0 404.518 3.826 50 0 HHAARO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000096900599 559112618 /nfs/dbraw/zinc/11/26/18/559112618.db2.gz RURQOOLDILLUAL-UHFFFAOYSA-N 1 0 404.510 3.916 50 0 HHAARO O=C(CCOc1ccc(Br)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000046436354 559133965 /nfs/dbraw/zinc/13/39/65/559133965.db2.gz PIWXWLBYJJCHLH-UHFFFAOYSA-N 1 0 417.347 3.999 50 0 HHAARO COc1ccc(-c2cnc3ncnn3c2N2CCC([N@@H+]3CCC[C@H](C)C3)CC2)cc1 ZINC000023328344 559166740 /nfs/dbraw/zinc/16/67/40/559166740.db2.gz IZBAJOBXNXAQFL-KRWDZBQOSA-N 1 0 406.534 3.501 50 0 HHAARO CC[NH+]1CCN(Cn2nc(-c3ccccc3OC)n(-c3ccc(C)cc3)c2=S)CC1 ZINC000023381415 559173664 /nfs/dbraw/zinc/17/36/64/559173664.db2.gz VTQCQUXAMTURMS-UHFFFAOYSA-N 1 0 423.586 3.982 50 0 HHAARO COC(=O)c1ccc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc1 ZINC000004921987 559206999 /nfs/dbraw/zinc/20/69/99/559206999.db2.gz HJVDDJICUDVNOR-UHFFFAOYSA-N 1 0 417.465 3.650 50 0 HHAARO Cc1ccccc1N1C(=O)[C@H](Oc2ccc(Cl)cc2)[C@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000004992336 559224853 /nfs/dbraw/zinc/22/48/53/559224853.db2.gz FOFDCQHEZOTDFJ-CEWLAPEOSA-N 1 0 400.906 3.580 50 0 HHAARO COCCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000005043756 559236392 /nfs/dbraw/zinc/23/63/92/559236392.db2.gz SIPQDQLNXSTGOJ-UHFFFAOYSA-N 1 0 405.926 3.668 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12 ZINC000005066836 559239922 /nfs/dbraw/zinc/23/99/22/559239922.db2.gz XAIHNFXHZMTQOX-UHFFFAOYSA-N 1 0 409.983 3.522 50 0 HHAARO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005097308 559245090 /nfs/dbraw/zinc/24/50/90/559245090.db2.gz GCJDGLFVVWWIMP-QFIPXVFZSA-N 1 0 402.535 3.938 50 0 HHAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)COc3ccc(Cl)cc3)nc2c1 ZINC000005121515 559248565 /nfs/dbraw/zinc/24/85/65/559248565.db2.gz XKGYIRTURDRXEN-UHFFFAOYSA-N 1 0 419.934 3.932 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1ccco1)c1nc2c(s1)c(OC)ccc2OC ZINC000005122197 559248680 /nfs/dbraw/zinc/24/86/80/559248680.db2.gz VZWNENQDWJYQGB-UHFFFAOYSA-N 1 0 403.504 3.895 50 0 HHAARO Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000409413301 559250589 /nfs/dbraw/zinc/25/05/89/559250589.db2.gz JTLPAQMATCDEIG-PXNSSMCTSA-N 1 0 400.954 3.962 50 0 HHAARO Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000011714296 559254671 /nfs/dbraw/zinc/25/46/71/559254671.db2.gz IZBWNTANFPXCIM-UHFFFAOYSA-N 1 0 407.562 3.670 50 0 HHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 ZINC000248112073 559263444 /nfs/dbraw/zinc/26/34/44/559263444.db2.gz RDWLWYOLVMITEH-XQQFMLRXSA-N 1 0 407.399 3.537 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1c(=O)n(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000012016331 559271251 /nfs/dbraw/zinc/27/12/51/559271251.db2.gz SJHQTIMAOQORNZ-UHFFFAOYSA-N 1 0 418.541 3.576 50 0 HHAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000252540180 559278370 /nfs/dbraw/zinc/27/83/70/559278370.db2.gz OVGZOBWFBNCWGD-PKTZIBPZSA-N 1 0 403.526 3.797 50 0 HHAARO CCn1c(-c2nc3ccc(C(=O)N4CCC[C@H]([NH3+])C4)cc3n2C)cc2ccccc21 ZINC000221532694 559281779 /nfs/dbraw/zinc/28/17/79/559281779.db2.gz ZDERDCQPANYYQW-SFHVURJKSA-N 1 0 401.514 3.778 50 0 in-vitro HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000005089702 560623430 /nfs/dbraw/zinc/62/34/30/560623430.db2.gz ITIANAXWMLUBTR-UHFFFAOYSA-N 1 0 403.910 3.751 50 0 HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415029 560723463 /nfs/dbraw/zinc/72/34/63/560723463.db2.gz RNSYTVZHTBTVMV-UGKGYDQZSA-N 1 0 404.599 3.742 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cncn2-c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000017911671 560730465 /nfs/dbraw/zinc/73/04/65/560730465.db2.gz YOQFJCPYDCHIDH-NRFANRHFSA-N 1 0 408.477 3.587 50 0 HHAARO O=C1C[C@@H]([NH2+]CCc2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)cc1Cl ZINC000018223101 560785052 /nfs/dbraw/zinc/78/50/52/560785052.db2.gz RZTSMJKBCGDWBN-QGZVFWFLSA-N 1 0 402.281 3.939 50 0 HHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984258 560858894 /nfs/dbraw/zinc/85/88/94/560858894.db2.gz NTXHCBQLLQWMFO-DHIUTWEWSA-N 1 0 414.521 3.854 50 0 HHAARO C[C@H]1c2ccsc2CCN1CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F ZINC000105711508 560876899 /nfs/dbraw/zinc/87/68/99/560876899.db2.gz OMRPTXZNALNJBG-SJCJKPOMSA-N 1 0 423.460 3.974 50 0 HHAARO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000106361771 560890854 /nfs/dbraw/zinc/89/08/54/560890854.db2.gz FMYKLAAJFBPSHC-RBUKOAKNSA-N 1 0 424.589 3.647 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000047852352 568431367 /nfs/dbraw/zinc/43/13/67/568431367.db2.gz RYYPTAAJTCLKNP-CYBMUJFWSA-N 1 0 401.320 3.592 50 0 HHAARO O=C(CCOc1ccccc1-c1ccccc1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000048264364 568433859 /nfs/dbraw/zinc/43/38/59/568433859.db2.gz ZDYTVWKJCFHVFZ-JOCHJYFZSA-N 1 0 408.542 3.836 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)CN(C)C(=O)c3ccccc3)cc2)C1 ZINC000048310965 568436794 /nfs/dbraw/zinc/43/67/94/568436794.db2.gz LCECOWRJIMYWNX-BGYRXZFFSA-N 1 0 407.558 3.553 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3ccc(C)cc3C)cc2)CC1 ZINC000048300603 568437435 /nfs/dbraw/zinc/43/74/35/568437435.db2.gz BQXNERVFRKQXSY-UHFFFAOYSA-N 1 0 409.574 3.526 50 0 HHAARO CC(=O)N[C@H](CC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000048325190 568438598 /nfs/dbraw/zinc/43/85/98/568438598.db2.gz FUIFTEFFDDYBPW-FGZHOGPDSA-N 1 0 413.949 3.861 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(OC(F)F)c2)[NH+]2CCCC2)cc1 ZINC000048354720 568441158 /nfs/dbraw/zinc/44/11/58/568441158.db2.gz ZOOSJDKWEMACAE-GOSISDBHSA-N 1 0 420.456 3.872 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(F)c1 ZINC000048364244 568441764 /nfs/dbraw/zinc/44/17/64/568441764.db2.gz SPOMBSSZWBOLDJ-GOSISDBHSA-N 1 0 406.885 3.602 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cncn3)cc2)C1 ZINC000048367436 568442045 /nfs/dbraw/zinc/44/20/45/568442045.db2.gz LZPAJFUBQRJLNG-BGYRXZFFSA-N 1 0 417.557 3.734 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2cccs2)C1 ZINC000048886580 568443519 /nfs/dbraw/zinc/44/35/19/568443519.db2.gz ZKOHPONMMDNOKS-QZTJIDSGSA-N 1 0 413.587 3.614 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(OC)cc4)ccc3n2)CC1 ZINC000020108651 568588504 /nfs/dbraw/zinc/58/85/04/568588504.db2.gz GLAZGZCHQAMUBI-UHFFFAOYSA-N 1 0 418.541 3.875 50 0 HHAARO COc1ccc(C(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)c(OC)c1 ZINC000020114369 568589247 /nfs/dbraw/zinc/58/92/47/568589247.db2.gz JDQNUEOWXXAZHW-UHFFFAOYSA-N 1 0 420.513 3.565 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cc(Br)ccc1O ZINC000095365182 568602081 /nfs/dbraw/zinc/60/20/81/568602081.db2.gz LIJUWISSTSGKPM-UHFFFAOYSA-N 1 0 407.283 3.688 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3noc4c3COc3ccccc3-4)cc2)CC1 ZINC000020484797 568612910 /nfs/dbraw/zinc/61/29/10/568612910.db2.gz YFAGJHQBDPIBHE-UHFFFAOYSA-N 1 0 418.497 3.624 50 0 HHAARO CC(C)(C)OC(=O)C1CCC([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000095454114 568616154 /nfs/dbraw/zinc/61/61/54/568616154.db2.gz ZECZUBFEWROMRP-UHFFFAOYSA-N 1 0 404.526 3.920 50 0 HHAARO COc1ccc(-c2nc(COC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)cs2)cc1 ZINC000095454618 568616375 /nfs/dbraw/zinc/61/63/75/568616375.db2.gz RZPRBIXCFOWCIK-LJQANCHMSA-N 1 0 402.516 3.505 50 0 HHAARO C[C@H]1CCCCN1c1cc(C(=O)Nc2cccc(CCN3CC[NH+](C)CC3)c2)ccn1 ZINC000095457796 568618786 /nfs/dbraw/zinc/61/87/86/568618786.db2.gz YYJMSBNUBYZPMA-FQEVSTJZSA-N 1 0 421.589 3.503 50 0 HHAARO Cc1cccc([S@@](=O)Cc2ccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)o2)c1 ZINC000020514488 568622359 /nfs/dbraw/zinc/62/23/59/568622359.db2.gz UFJZGRBRWVTVHF-GDLZYMKVSA-N 1 0 414.571 3.986 50 0 HHAARO CC[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)Oc1ccccc1F ZINC000225475070 568641144 /nfs/dbraw/zinc/64/11/44/568641144.db2.gz ZINRJBJKIHPVAJ-IBGZPJMESA-N 1 0 424.520 3.838 50 0 HHAARO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762592 568642681 /nfs/dbraw/zinc/64/26/81/568642681.db2.gz RTSCTICDMHXMOB-RXVVDRJESA-N 1 0 409.578 3.711 50 0 biogenic HHAARO CCOc1ccc([C@@H](c2c(O)cc(C)n(CCOC)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000021098019 568665892 /nfs/dbraw/zinc/66/58/92/568665892.db2.gz CZZCLRXJWPSNDV-QHCPKHFHSA-N 1 0 414.546 3.729 50 0 HHAARO Oc1ccc([C@@](O)(Cc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170151 568676268 /nfs/dbraw/zinc/67/62/68/568676268.db2.gz KUHATIPKCXBPFU-FTJBHMTQSA-N 1 0 403.522 3.939 50 0 HHAARO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)Cn1cccn1 ZINC000030904395 568686865 /nfs/dbraw/zinc/68/68/65/568686865.db2.gz OVJZLFZEZTUUHI-SNVBAGLBSA-N 1 0 403.118 3.595 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O ZINC000096114036 568693735 /nfs/dbraw/zinc/69/37/35/568693735.db2.gz BMNPEPNKPALZFA-QGZVFWFLSA-N 1 0 410.514 3.998 50 0 biogenic HHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cccc(N(C)C)c2)CC1 ZINC000012437738 568723123 /nfs/dbraw/zinc/72/31/23/568723123.db2.gz VDAGQLKITMMQNF-UHFFFAOYSA-N 1 0 409.574 3.788 50 0 HHAARO C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 ZINC000239367338 568729247 /nfs/dbraw/zinc/72/92/47/568729247.db2.gz AIJFVHKPBNNODG-SJCJKPOMSA-N 1 0 421.866 3.837 50 0 HHAARO Cc1ccccc1CNc1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1cnn2C ZINC000021930482 568761641 /nfs/dbraw/zinc/76/16/41/568761641.db2.gz CZVGLEDMJFFKDJ-UHFFFAOYSA-N 1 0 419.577 3.739 50 0 HHAARO C[NH+](C)C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000028084919 568779303 /nfs/dbraw/zinc/77/93/03/568779303.db2.gz JKPMGQLZTDFSMZ-NRFANRHFSA-N 1 0 409.917 3.583 50 0 HHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000055748715 568782933 /nfs/dbraw/zinc/78/29/33/568782933.db2.gz QBVKBHYCCRSXQX-YESZJQIVSA-N 1 0 402.970 3.989 50 0 HHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055748713 568782961 /nfs/dbraw/zinc/78/29/61/568782961.db2.gz QBVKBHYCCRSXQX-IXDOHACOSA-N 1 0 402.970 3.989 50 0 HHAARO O=C(C[C@H]1Sc2ccccc2NC1=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000002634778 568791868 /nfs/dbraw/zinc/79/18/68/568791868.db2.gz VPSSNLWRRMSVFP-LJQANCHMSA-N 1 0 401.576 3.795 50 0 HHAARO C[C@H](Oc1ccc(Cl)cc1Br)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000029095488 568819106 /nfs/dbraw/zinc/81/91/06/568819106.db2.gz HKMSOGYERZKQGD-NSHDSACASA-N 1 0 401.732 3.613 50 0 HHAARO CCCC[N@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075707 568831339 /nfs/dbraw/zinc/83/13/39/568831339.db2.gz AOXTZJPERMEUKV-RTWAWAEBSA-N 1 0 413.587 3.897 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000029837087 568837029 /nfs/dbraw/zinc/83/70/29/568837029.db2.gz CGPBJJNLZWCLAR-WOJBJXKFSA-N 1 0 419.928 3.653 50 0 HHAARO CC[NH+](CC)CCn1c(NC(=O)c2coc(Br)c2)nc2ccccc21 ZINC000012535577 568845299 /nfs/dbraw/zinc/84/52/99/568845299.db2.gz OVFSICLNZULRKN-UHFFFAOYSA-N 1 0 405.296 3.986 50 0 HHAARO CCOC(=O)c1ccc(NC(=S)N(CC[NH+](C)C)[C@H](C)c2ccncc2)cc1 ZINC000003049961 568849934 /nfs/dbraw/zinc/84/99/34/568849934.db2.gz DWLSOWMGPHYQCF-MRXNPFEDSA-N 1 0 400.548 3.580 50 0 HHAARO Cc1nn(Cc2ccccc2)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230209438 568854823 /nfs/dbraw/zinc/85/48/23/568854823.db2.gz LRAADKDNNOIIOU-UPVQGACJSA-N 1 0 408.590 3.862 50 0 biogenic HHAARO CC(=O)c1cc2c(cc1NC(=O)CNC(c1ccccc1)c1ccccc1)OCO2 ZINC000057672208 568858019 /nfs/dbraw/zinc/85/80/19/568858019.db2.gz KQIGHOYRKCIWIA-UHFFFAOYSA-N 1 0 402.450 3.936 50 0 HHAARO CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@@H](N1CC[NH+](C2CCCC2)CC1)C3 ZINC000299765802 568873736 /nfs/dbraw/zinc/87/37/36/568873736.db2.gz BNHHESRVPQEFHM-GOSISDBHSA-N 1 0 414.619 3.532 50 0 HHAARO C[C@@H](NC(=O)c1ccc(N2CCC([NH+]3CCC(O)CC3)CC2)cc1)c1ccccc1 ZINC000299766664 568873760 /nfs/dbraw/zinc/87/37/60/568873760.db2.gz DXJPEUVPDXABEA-LJQANCHMSA-N 1 0 407.558 3.603 50 0 HHAARO O=c1c(C[NH2+]Cc2cccnc2)cc2cc3c(cc2n1Cc1cccc(F)c1)OCO3 ZINC000299776322 568874812 /nfs/dbraw/zinc/87/48/12/568874812.db2.gz JRHPQJRNZUDVLP-UHFFFAOYSA-N 1 0 417.440 3.602 50 0 HHAARO Cc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]Cc2ccccc2)C4)n1 ZINC000299784763 568875466 /nfs/dbraw/zinc/87/54/66/568875466.db2.gz HZTJTDMGCLQFLY-GOSISDBHSA-N 1 0 416.550 3.857 50 0 HHAARO Cc1cc(C)[n+]2nc(SCC(=O)Nc3ccc(SC(F)F)cc3)sc2n1 ZINC000003344651 568884262 /nfs/dbraw/zinc/88/42/62/568884262.db2.gz CWNNKMSZOGPETL-UHFFFAOYSA-O 1 0 413.520 3.939 50 0 HHAARO CCCCOc1cc(CNC[C@H](C[NH+](C)C)[C@H](O)c2ccccc2)ccc1OC ZINC000058152307 568892840 /nfs/dbraw/zinc/89/28/40/568892840.db2.gz ONXPXLPXAIUGHR-ZJSXRUAMSA-N 1 0 400.563 3.875 50 0 HHAARO NC(=O)C1CC[NH+](Cc2cccc(NC(=O)Cc3c(Cl)cccc3Cl)c2)CC1 ZINC000059257425 568919800 /nfs/dbraw/zinc/91/98/00/568919800.db2.gz NYINDGDEASBZRD-UHFFFAOYSA-N 1 0 420.340 3.872 50 0 HHAARO C[N@H+](CCCNC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1)Cc1ccccc1 ZINC000012744597 568930847 /nfs/dbraw/zinc/93/08/47/568930847.db2.gz XPCKEYXRZYUJPW-UHFFFAOYSA-N 1 0 415.537 3.722 50 0 HHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004082585 568939332 /nfs/dbraw/zinc/93/93/32/568939332.db2.gz VLFJMSSAAUTMQU-QHAWAJNXSA-N 1 0 400.519 3.595 50 0 biogenic HHAARO C[NH+](C)[C@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000012762633 568946523 /nfs/dbraw/zinc/94/65/23/568946523.db2.gz YTNINSKYLUCLTC-OAQYLSRUSA-N 1 0 413.949 3.611 50 0 HHAARO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccs2)c(=O)n(-c2ccccc2)n1C ZINC000012775998 568954566 /nfs/dbraw/zinc/95/45/66/568954566.db2.gz BXSQKLGFPQDNGL-SFHVURJKSA-N 1 0 410.543 3.712 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc(Br)ccc2O)[NH+]2CCCC2)cc1 ZINC000012777701 568955986 /nfs/dbraw/zinc/95/59/86/568955986.db2.gz IDBIIICEKOSNTP-SFHVURJKSA-N 1 0 419.319 3.730 50 0 HHAARO CC[N@H+](CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccccc1 ZINC000015674167 568963036 /nfs/dbraw/zinc/96/30/36/568963036.db2.gz JOZGMRLWBMTYCV-UHFFFAOYSA-N 1 0 404.514 3.622 50 0 HHAARO CC(C)Cn1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc2c1=O ZINC000008012205 568968262 /nfs/dbraw/zinc/96/82/62/568968262.db2.gz RKRSAARKHWHBSR-UHFFFAOYSA-N 1 0 418.541 3.578 50 0 HHAARO Cc1ccc(-c2nnc(CCC(=O)NCc3ccccc3C[NH+]3CCCC3)o2)cc1 ZINC000008013152 568968356 /nfs/dbraw/zinc/96/83/56/568968356.db2.gz LZADDTHIIQSWGR-UHFFFAOYSA-N 1 0 404.514 3.890 50 0 HHAARO Cc1ccc2c(c1)NC(=O)[C@H](CC(=O)NCCC[N@H+](Cc1ccccc1)C(C)C)O2 ZINC000005069950 568976214 /nfs/dbraw/zinc/97/62/14/568976214.db2.gz GHYLIXUYOIGJSH-QFIPXVFZSA-N 1 0 409.530 3.502 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(N3CCCC3=O)cc2)[NH+]2CCCCC2)cc1 ZINC000008189621 568981068 /nfs/dbraw/zinc/98/10/68/568981068.db2.gz AFTPVPWFJTZJNB-HSZRJFAPSA-N 1 0 421.541 3.779 50 0 HHAARO Cc1cc(-c2ccc(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)s2)on1 ZINC000015731245 568981656 /nfs/dbraw/zinc/98/16/56/568981656.db2.gz YSQVMOMNRGJBCJ-UHFFFAOYSA-N 1 0 417.556 3.654 50 0 HHAARO CC[NH+](CC)CCCNC(=O)COc1ccccc1-c1nnc(-c2ccccc2)o1 ZINC000015733343 568983013 /nfs/dbraw/zinc/98/30/13/568983013.db2.gz VERJVEOSYDBRET-UHFFFAOYSA-N 1 0 408.502 3.631 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccccc1F ZINC000008373998 568995759 /nfs/dbraw/zinc/99/57/59/568995759.db2.gz FOEWVLSKGGPAFU-GOSISDBHSA-N 1 0 400.837 3.692 50 0 HHAARO CCOc1ccc(N2C[C@@H](C(=O)NCc3ccc(C[NH+](CC)CC)cc3)CC2=O)cc1 ZINC000012860300 569011644 /nfs/dbraw/zinc/01/16/44/569011644.db2.gz ZHANGMGTAJNBQH-NRFANRHFSA-N 1 0 423.557 3.596 50 0 HHAARO CCOc1ccc(N2C[C@H](C(=O)NCc3ccc(C[NH+](CC)CC)cc3)CC2=O)cc1 ZINC000012860309 569011668 /nfs/dbraw/zinc/01/16/68/569011668.db2.gz ZHANGMGTAJNBQH-OAQYLSRUSA-N 1 0 423.557 3.596 50 0 HHAARO CC(=O)N[C@H](CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(C)cc1 ZINC000012932517 569025028 /nfs/dbraw/zinc/02/50/28/569025028.db2.gz SVHQVNCOPOAMGC-XMMPIXPASA-N 1 0 407.558 3.865 50 0 HHAARO CCOCCC[NH2+][C@@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000006206902 569033095 /nfs/dbraw/zinc/03/30/95/569033095.db2.gz ADELDTMOYXWERG-HNNXBMFYSA-N 1 0 404.532 3.935 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)nn2)cc1 ZINC000035398055 569035017 /nfs/dbraw/zinc/03/50/17/569035017.db2.gz LASSPXICKPXYPY-JOCHJYFZSA-N 1 0 421.589 3.661 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[NH+]4CCCCCC4)C3)nn2)cc1 ZINC000035398125 569035032 /nfs/dbraw/zinc/03/50/32/569035032.db2.gz GYLMMQKSRUSTLL-JOCHJYFZSA-N 1 0 421.589 3.661 50 0 HHAARO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCCC[NH+]4CCCCC4)C3)nn2)c1 ZINC000035398217 569035126 /nfs/dbraw/zinc/03/51/26/569035126.db2.gz GAHKDEYSIYRKNY-JOCHJYFZSA-N 1 0 421.589 3.661 50 0 HHAARO CC1CC[NH+](CCCNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccccc4)n3)C2)CC1 ZINC000035422824 569036335 /nfs/dbraw/zinc/03/63/35/569036335.db2.gz GHYUVIFPYHOQKJ-JOCHJYFZSA-N 1 0 421.589 3.598 50 0 HHAARO Cc1c(NC(=O)CC[N@H+](C)Cc2ccc(Cl)s2)c(=O)n(-c2ccccc2)n1C ZINC000012977960 569042474 /nfs/dbraw/zinc/04/24/74/569042474.db2.gz WSHRKENQDYHRDV-UHFFFAOYSA-N 1 0 418.950 3.660 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064197652 569045916 /nfs/dbraw/zinc/04/59/16/569045916.db2.gz AMUPFGDCAJZQCJ-NVVBAYIOSA-N 1 0 411.477 3.645 50 0 HHAARO COc1c(C)cc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1C ZINC000023127727 569047110 /nfs/dbraw/zinc/04/71/10/569047110.db2.gz ZNTRZTRTAHSCGJ-UHFFFAOYSA-N 1 0 408.589 3.564 50 0 HHAARO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1Br ZINC000013003048 569049320 /nfs/dbraw/zinc/04/93/20/569049320.db2.gz VWAVATFPCKIQLL-UHFFFAOYSA-N 1 0 409.349 3.523 50 0 HHAARO O=C([C@H]1CC[C@H](O)CC1)N1CC[C@@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000240971745 569054623 /nfs/dbraw/zinc/05/46/23/569054623.db2.gz UCCFHIDCRPXHGE-QWFCFKBJSA-N 1 0 406.517 3.576 50 0 HHAARO CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246777 569055374 /nfs/dbraw/zinc/05/53/74/569055374.db2.gz NHLQGJFFVXWCMB-JLGINSKQSA-N 1 0 401.441 3.596 50 0 HHAARO C[NH+](C)CCOc1cc(NC(=O)c2cc3cc(Br)ccc3o2)ccn1 ZINC000089314363 569058488 /nfs/dbraw/zinc/05/84/88/569058488.db2.gz BGPOJIALNWDJMI-UHFFFAOYSA-N 1 0 404.264 3.783 50 0 HHAARO C[NH+]1CCC([C@H]2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)C2)CC1 ZINC000089375197 569059152 /nfs/dbraw/zinc/05/91/52/569059152.db2.gz GVYXNFLJTVZBBJ-SFHVURJKSA-N 1 0 421.570 3.800 50 0 HHAARO COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=S)NCCC[NH+](C)C)CC2 ZINC000006559322 569065670 /nfs/dbraw/zinc/06/56/70/569065670.db2.gz KQVQVIRGVQYGAX-FQEVSTJZSA-N 1 0 419.616 3.539 50 0 HHAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)cc1 ZINC000036101910 569091701 /nfs/dbraw/zinc/09/17/01/569091701.db2.gz WISGNRLFAGCNKS-NRFANRHFSA-N 1 0 409.482 3.897 50 0 HHAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)cc1 ZINC000036101912 569091779 /nfs/dbraw/zinc/09/17/79/569091779.db2.gz WISGNRLFAGCNKS-OAQYLSRUSA-N 1 0 409.482 3.897 50 0 HHAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccccc4Br)nc3c12 ZINC000006759766 569113253 /nfs/dbraw/zinc/11/32/53/569113253.db2.gz RVYQVLNSRTUHRK-UHFFFAOYSA-N 1 0 413.323 3.687 50 0 HHAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(C)cc2)CC1 ZINC000036340659 569141712 /nfs/dbraw/zinc/14/17/12/569141712.db2.gz CDWSFTNBUDHBBM-QFIPXVFZSA-N 1 0 410.606 3.920 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCCCC2)CC1 ZINC000065166025 569189805 /nfs/dbraw/zinc/18/98/05/569189805.db2.gz JHSLNRMJUWYMLB-UHFFFAOYSA-N 1 0 412.578 3.583 50 0 HHAARO Cc1ccc2[nH]c(=O)c(CCC(=O)NCCC[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000065245491 569205184 /nfs/dbraw/zinc/20/51/84/569205184.db2.gz BNIJOGBMEMRYIE-UHFFFAOYSA-N 1 0 403.526 3.746 50 0 HHAARO CC[N@H+](CCNC(=O)CCc1cc2cc(OC)ccc2[nH]c1=O)Cc1ccccc1 ZINC000065245556 569205321 /nfs/dbraw/zinc/20/53/21/569205321.db2.gz CEGBICXYSXMYGI-UHFFFAOYSA-N 1 0 407.514 3.520 50 0 HHAARO COc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)cc1OC ZINC000065256253 569208167 /nfs/dbraw/zinc/20/81/67/569208167.db2.gz SLQKIHIQDWGXCK-FQEVSTJZSA-N 1 0 418.497 3.502 50 0 HHAARO COc1ccc(OC)c(NC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)c1 ZINC000065256375 569208422 /nfs/dbraw/zinc/20/84/22/569208422.db2.gz RNHHRHSRPRHXDA-OAQYLSRUSA-N 1 0 418.497 3.502 50 0 HHAARO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000065257035 569208720 /nfs/dbraw/zinc/20/87/20/569208720.db2.gz ROZFIMLOOJOCDP-OAQYLSRUSA-N 1 0 402.498 3.711 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1ccc(F)cc1 ZINC000065296299 569218846 /nfs/dbraw/zinc/21/88/46/569218846.db2.gz FRHSSUXAYLUXCX-HXUWFJFHSA-N 1 0 409.509 3.920 50 0 HHAARO Cc1cc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)ccc1-n1cncn1 ZINC000237626163 569281818 /nfs/dbraw/zinc/28/18/18/569281818.db2.gz ZQFKKGCBNWPWSE-UHFFFAOYSA-N 1 0 411.815 3.812 50 0 HHAARO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000252515763 569292160 /nfs/dbraw/zinc/29/21/60/569292160.db2.gz NFTOQMQICJCJQN-MNRMEVMPSA-N 1 0 410.530 3.546 50 0 HHAARO O=C(COCc1ccccc1Cl)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000253419188 569367712 /nfs/dbraw/zinc/36/77/12/569367712.db2.gz AUDRCXBTZQKOOB-QGZVFWFLSA-N 1 0 416.953 3.582 50 0 HHAARO C[NH+](C)CCNc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCCC3 ZINC000002357081 569385499 /nfs/dbraw/zinc/38/54/99/569385499.db2.gz LHGVREOYGFLADT-UHFFFAOYSA-N 1 0 400.523 3.829 50 0 HHAARO O=c1c2c3c(sc2n(CC[NH+]2CCCC2)c(=O)n1Cc1ccccc1)CCCCC3 ZINC000002431958 569399315 /nfs/dbraw/zinc/39/93/15/569399315.db2.gz BAQKJGKJHVHWMA-UHFFFAOYSA-N 1 0 423.582 3.638 50 0 HHAARO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)[C@H]1CCCc2ccccc21 ZINC000027906432 569409491 /nfs/dbraw/zinc/40/94/91/569409491.db2.gz PRPDUDNBOMQDCJ-IBGZPJMESA-N 1 0 409.486 3.505 50 0 HHAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1OC ZINC000013363863 569412104 /nfs/dbraw/zinc/41/21/04/569412104.db2.gz LFLXJXCBMBBJBX-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000078802965 569420472 /nfs/dbraw/zinc/42/04/72/569420472.db2.gz GGKRLRGYUJMETB-QGZVFWFLSA-N 1 0 400.906 3.563 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc12 ZINC000427586292 571131739 /nfs/dbraw/zinc/13/17/39/571131739.db2.gz CWGFCDROYMSBTK-YVEFUNNKSA-N 1 0 402.951 3.836 50 0 HHAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893068 571142772 /nfs/dbraw/zinc/14/27/72/571142772.db2.gz OWKKQROSBHJZEX-IBGZPJMESA-N 1 0 415.559 3.737 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1OC ZINC000008901163 571144701 /nfs/dbraw/zinc/14/47/01/571144701.db2.gz ZSXKIKQPFAOICS-GOSISDBHSA-N 1 0 424.588 3.661 50 0 HHAARO CCOc1c(Br)cc(Br)cc1C[NH2+]CCCn1cccn1 ZINC000040088601 571158989 /nfs/dbraw/zinc/15/89/89/571158989.db2.gz ILEWFKDEAJQCKA-UHFFFAOYSA-N 1 0 417.145 3.987 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccc(O)cc3)c(C)c2)CC1 ZINC000040103844 571164516 /nfs/dbraw/zinc/16/45/16/571164516.db2.gz KPNFPABQRINSKN-LJQANCHMSA-N 1 0 410.562 3.985 50 0 HHAARO Cc1cc(NC(=O)CSCC(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)no1 ZINC000040115613 571173394 /nfs/dbraw/zinc/17/33/94/571173394.db2.gz JOHHMXWRWWUASS-HNNXBMFYSA-N 1 0 416.547 3.525 50 0 HHAARO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000040150037 571198512 /nfs/dbraw/zinc/19/85/12/571198512.db2.gz BMDFZRATMIRXRR-JOCHJYFZSA-N 1 0 409.530 3.688 50 0 HHAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3cccc(Oc4ccccc4)c3)cn2)CC1 ZINC000040152043 571199828 /nfs/dbraw/zinc/19/98/28/571199828.db2.gz MQXVHNNBJOMXFT-UHFFFAOYSA-N 1 0 416.525 3.946 50 0 HHAARO CCc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCC2)cc1 ZINC000245238139 571219476 /nfs/dbraw/zinc/21/94/76/571219476.db2.gz YDKOSFYREXZQGA-CLOONOSVSA-N 1 0 419.569 3.648 50 0 HHAARO CCOC(=O)C1=C(CN2CCCCC[C@H]2c2ccc(OC)cc2)NC(=O)N[C@H]1CC ZINC000245264321 571221614 /nfs/dbraw/zinc/22/16/14/571221614.db2.gz CSWRRAGLJKEZNX-ICSRJNTNSA-N 1 0 415.534 3.521 50 0 HHAARO C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352135 571223029 /nfs/dbraw/zinc/22/30/29/571223029.db2.gz MXIACQKIYDHCLK-YJBOKZPZSA-N 1 0 402.336 3.934 50 0 HHAARO O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000069458952 571228314 /nfs/dbraw/zinc/22/83/14/571228314.db2.gz MYSZHTVGSFDWQA-YADHBBJMSA-N 1 0 401.551 3.864 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cccc(N3CCCC3=O)c2)[NH+]2CCCCC2)cc1 ZINC000009581566 571270899 /nfs/dbraw/zinc/27/08/99/571270899.db2.gz IQVAXQUAEFVSMJ-HSZRJFAPSA-N 1 0 421.541 3.779 50 0 HHAARO CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000009668190 571278261 /nfs/dbraw/zinc/27/82/61/571278261.db2.gz ZDFKKDSCCXJZDT-JOCHJYFZSA-N 1 0 401.595 3.688 50 0 HHAARO COc1cccc2sc(N(C)CC(=O)NC3CC[NH+](Cc4ccccc4)CC3)nc21 ZINC000070973414 571283946 /nfs/dbraw/zinc/28/39/46/571283946.db2.gz ZWHUQGUPWSWVPG-UHFFFAOYSA-N 1 0 424.570 3.522 50 0 HHAARO O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000009980937 571293396 /nfs/dbraw/zinc/29/33/96/571293396.db2.gz MCBOKSVHXVSRNM-UHFFFAOYSA-N 1 0 419.569 3.841 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000010233205 571297696 /nfs/dbraw/zinc/29/76/96/571297696.db2.gz QIAXQKFYBSWGRQ-NRFANRHFSA-N 1 0 424.472 3.828 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000010333465 571300536 /nfs/dbraw/zinc/30/05/36/571300536.db2.gz CLXWFCKTOPBOOV-NRFANRHFSA-N 1 0 409.917 3.529 50 0 HHAARO O=C(NCc1ccc(F)cc1)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010333948 571300663 /nfs/dbraw/zinc/30/06/63/571300663.db2.gz URVVAWJPHQMTJX-QHCPKHFHSA-N 1 0 419.500 3.548 50 0 HHAARO COc1cc2c(cc1OC)C[N@H+](C[C@@H](O)COCC13CC4CC(CC(C4)C1)C3)CC2 ZINC000010384069 571301708 /nfs/dbraw/zinc/30/17/08/571301708.db2.gz OQELHBPUHZQENY-VBSWXYJSSA-N 1 0 415.574 3.656 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)CCc1ccc(OC)c(OC)c1 ZINC000014651248 571307548 /nfs/dbraw/zinc/30/75/48/571307548.db2.gz BLZUTXGLSWFWBI-UHFFFAOYSA-N 1 0 424.545 3.967 50 0 HHAARO CCNC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716731 571316351 /nfs/dbraw/zinc/31/63/51/571316351.db2.gz OOEVUBROORSHKM-PMACEKPBSA-N 1 0 414.521 3.893 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccccc1OC)C(C)=O ZINC000034740615 571316501 /nfs/dbraw/zinc/31/65/01/571316501.db2.gz ZZIPQWFPWLQCEV-PZJWPPBQSA-N 1 0 416.587 3.776 50 0 HHAARO O=C(NC1CC1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871503 571317112 /nfs/dbraw/zinc/31/71/12/571317112.db2.gz HYJDCEDDPYFPOB-UYAOXDASSA-N 1 0 407.480 3.590 50 0 HHAARO COC(=O)c1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1 ZINC000006667494 960940770 /nfs/dbraw/zinc/94/07/70/960940770.db2.gz JYFCYZQTEQBQNG-UHFFFAOYSA-N 1 0 404.304 3.719 50 0 HHAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1cccc(-c3ccco3)c1)CC2 ZINC000011784283 962190866 /nfs/dbraw/zinc/19/08/66/962190866.db2.gz AMRHSHCXFPAKSN-NRFANRHFSA-N 1 0 421.545 3.820 50 0 HHAARO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)[nH]n1 ZINC000011934796 962210446 /nfs/dbraw/zinc/21/04/46/962210446.db2.gz SQQAOBPPPWUNQG-GOSISDBHSA-N 1 0 406.534 3.645 50 0 HHAARO O=C(c1cscn1)N1CCOc2ccc(C[N@@H+]3CCc4ccccc4C3)cc2C1 ZINC000012035896 962224966 /nfs/dbraw/zinc/22/49/66/962224966.db2.gz NQGZVVGEYMBTLQ-UHFFFAOYSA-N 1 0 405.523 3.736 50 0 HHAARO C[C@@H](c1ccon1)[N@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012041239 962226124 /nfs/dbraw/zinc/22/61/24/962226124.db2.gz YOHOSSXKWIEJSP-ZFWWWQNUSA-N 1 0 405.882 3.631 50 0 HHAARO CC(C)c1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 ZINC000012204877 962252330 /nfs/dbraw/zinc/25/23/30/962252330.db2.gz XDJYQRKDPPXYFE-FGZHOGPDSA-N 1 0 400.563 3.619 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]CCc1cccc(OC)c1)C3 ZINC000012218692 962256010 /nfs/dbraw/zinc/25/60/10/962256010.db2.gz WUDJNTUBIDTGKU-KRWDZBQOSA-N 1 0 411.571 3.956 50 0 HHAARO C[C@@H](CNC(=O)c1n[nH]c2c1CCC2)Oc1cccc(C[N@H+](C)Cc2ccsc2)c1 ZINC000012218715 962256150 /nfs/dbraw/zinc/25/61/50/962256150.db2.gz OPWYJCANLDKKDT-INIZCTEOSA-N 1 0 424.570 3.789 50 0 HHAARO CCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2)C(C)C ZINC000012244632 962257154 /nfs/dbraw/zinc/25/71/54/962257154.db2.gz NZSSLEPOFBQRNP-QHCPKHFHSA-N 1 0 421.545 3.820 50 0 HHAARO CCC(=O)N[C@@H](c1nnc2n1CC[N@@H+](Cc1ccccc1-c1ccco1)CC2)C(C)C ZINC000012244633 962257541 /nfs/dbraw/zinc/25/75/41/962257541.db2.gz NZSSLEPOFBQRNP-HSZRJFAPSA-N 1 0 421.545 3.820 50 0 HHAARO Cn1cc(Cn2cnc3sc4c(c3c2=O)CC[C@@H]([NH2+]CCC2=CCCCC2)C4)cn1 ZINC000012279367 962267335 /nfs/dbraw/zinc/26/73/35/962267335.db2.gz BFSVUZUCVSYZFL-GOSISDBHSA-N 1 0 423.586 3.577 50 0 HHAARO Cc1ccc(C)c(C[NH+]2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)c1 ZINC000012576127 962295334 /nfs/dbraw/zinc/29/53/34/962295334.db2.gz MRRGJDSEFUJORT-UHFFFAOYSA-N 1 0 408.542 3.819 50 0 HHAARO FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000012709660 962316493 /nfs/dbraw/zinc/31/64/93/962316493.db2.gz AZIIXWNJMHAATO-QGZVFWFLSA-N 1 0 408.468 3.987 50 0 HHAARO Cc1ncsc1CCC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012745286 962325066 /nfs/dbraw/zinc/32/50/66/962325066.db2.gz SKNCCOADTNCRHZ-UHFFFAOYSA-N 1 0 403.567 3.936 50 0 HHAARO O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1C[N@@H+](C1CCCC1)CC2 ZINC000014534649 962524394 /nfs/dbraw/zinc/52/43/94/962524394.db2.gz VYYWPARZHMJWQG-UHFFFAOYSA-N 1 0 421.570 3.619 50 0 HHAARO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccncc2)C1 ZINC000014733159 962563693 /nfs/dbraw/zinc/56/36/93/962563693.db2.gz NPFNIZVWTIHQMC-VQTJNVASSA-N 1 0 411.521 3.797 50 0 HHAARO CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@@H]([NH2+]CCc1ccccc1)CC2 ZINC000014749352 962567594 /nfs/dbraw/zinc/56/75/94/962567594.db2.gz QINFNDGIWANDKC-NRFANRHFSA-N 1 0 408.590 3.855 50 0 HHAARO Cc1ccc(C[NH2+][C@@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)cc1F ZINC000014746142 962567951 /nfs/dbraw/zinc/56/79/51/962567951.db2.gz VUIPZFNOQVIUNB-HXUWFJFHSA-N 1 0 420.532 3.728 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]CCC1=CCCCC1)CC2 ZINC000014748812 962568219 /nfs/dbraw/zinc/56/82/19/962568219.db2.gz YCEKNNKLBWZVMX-NRFANRHFSA-N 1 0 406.574 3.971 50 0 HHAARO CC(C)C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H](C(=O)NC2CCCCC2)C1 ZINC000014754896 962569332 /nfs/dbraw/zinc/56/93/32/962569332.db2.gz LHANVLGDTKUOCP-ZWKOTPCHSA-N 1 0 403.542 3.807 50 0 HHAARO COc1ccc(OCc2cc(C(=O)N3CC[NH+](C4CCCC4)CC3)no2)c(Cl)c1 ZINC000014955749 962612689 /nfs/dbraw/zinc/61/26/89/962612689.db2.gz DFQOKAZFQPCFMU-UHFFFAOYSA-N 1 0 419.909 3.616 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@@H]2CCC(=O)N(Cc3ccccc3F)CC2)cc1OC ZINC000014955488 962612917 /nfs/dbraw/zinc/61/29/17/962612917.db2.gz JFXOAQYMPNMJFX-HXUWFJFHSA-N 1 0 414.521 3.899 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](C4CSCCSC4)C3)C2)c1 ZINC000019223842 963357630 /nfs/dbraw/zinc/35/76/30/963357630.db2.gz AAJUNGJCRPNMJH-OAQYLSRUSA-N 1 0 410.624 3.971 50 0 HHAARO COc1ccc(CN2CC[N@@H+](C3C4CC5CC(C4)CC3C5)C[C@@H]2CCO)c(F)c1 ZINC000019792479 963375158 /nfs/dbraw/zinc/37/51/58/963375158.db2.gz XCFGTCMPOKXCJK-NENJFKCLSA-N 1 0 402.554 3.528 50 0 HHAARO CCCn1ncc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020212494 963386210 /nfs/dbraw/zinc/38/62/10/963386210.db2.gz GFPBNXAIJQTLAC-QFIPXVFZSA-N 1 0 414.594 3.758 50 0 HHAARO CCS(=O)(=O)c1ccc(-c2cccc(-c3ccn(C[C@@H]4CC[NH2+]C4)n3)c2)s1 ZINC000020211824 963386346 /nfs/dbraw/zinc/38/63/46/963386346.db2.gz GMBKHCGDLASBED-OAHLLOKOSA-N 1 0 401.557 3.682 50 0 HHAARO CCS(=O)(=O)c1ccc(-c2cccc(-c3ccn(C[C@H]4CC[NH2+]C4)n3)c2)s1 ZINC000020211829 963386527 /nfs/dbraw/zinc/38/65/27/963386527.db2.gz GMBKHCGDLASBED-HNNXBMFYSA-N 1 0 401.557 3.682 50 0 HHAARO CCOCc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)ccc1OC ZINC000020351563 963387458 /nfs/dbraw/zinc/38/74/58/963387458.db2.gz NZYMIKFQMFWQBR-DEOSSOPVSA-N 1 0 412.574 3.609 50 0 HHAARO CCOc1ccc2nc(N3CCC(N4CC[C@H]([NH+](CC)CC)C4)CC3)nc(C)c2c1 ZINC000020998965 963410817 /nfs/dbraw/zinc/41/08/17/963410817.db2.gz RIATUHRRKOIFDC-FQEVSTJZSA-N 1 0 411.594 3.722 50 0 HHAARO Fc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912925 963738172 /nfs/dbraw/zinc/73/81/72/963738172.db2.gz VNEUDZZNNUUXDR-FQEVSTJZSA-N 1 0 411.550 3.617 50 0 HHAARO CCOC(=O)N1CCC([NH2+]Cc2cc3ccc(F)cc3n(CC(C)C)c2=O)CC1 ZINC000023339270 963801208 /nfs/dbraw/zinc/80/12/08/963801208.db2.gz CKBPYUNPIQTEPK-UHFFFAOYSA-N 1 0 403.498 3.507 50 0 HHAARO O=C1CC[C@@H](N2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1F ZINC000023359050 963807268 /nfs/dbraw/zinc/80/72/68/963807268.db2.gz SNBDJDAOXPDRLC-OAQYLSRUSA-N 1 0 405.533 3.796 50 0 HHAARO C[C@@H]1C[N@H+](CCC(=O)N(C)C[C@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000039510068 966495077 /nfs/dbraw/zinc/49/50/77/966495077.db2.gz GEAJAEVKGHTLRC-UZLBHIALSA-N 1 0 402.922 3.505 50 0 HHAARO CN(C(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC000096639691 969049976 /nfs/dbraw/zinc/04/99/76/969049976.db2.gz NDRNRAULXRKZPZ-KHPPLWFESA-N 1 0 401.514 3.500 50 0 HHAARO Cc1cc(NC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)ccc1N1CC[NH+](C)CC1 ZINC000096936893 969057747 /nfs/dbraw/zinc/05/77/47/969057747.db2.gz IWIGOQFDCAPEDE-GHXNOFRVSA-N 1 0 418.541 3.526 50 0 HHAARO CCOc1ccccc1CN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104374979 969201350 /nfs/dbraw/zinc/20/13/50/969201350.db2.gz FMCQCQCOAYGEEY-HSZRJFAPSA-N 1 0 405.542 3.702 50 0 HHAARO COc1ccc(Br)cc1/C=C\C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000229758586 970132490 /nfs/dbraw/zinc/13/24/90/970132490.db2.gz NHXAWUJWNSRJRI-SCEWNMGZSA-N 1 0 415.331 3.986 50 0 HHAARO Cc1cccc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCOCC3)C2)c1 ZINC000169764974 970472904 /nfs/dbraw/zinc/47/29/04/970472904.db2.gz AJWYLVHUWXJDDS-JOCHJYFZSA-N 1 0 408.542 3.758 50 0 HHAARO COc1ccc(C2(C(=O)N3CCCCC[C@H]3C[NH+]3CCC(OC)CC3)CC2)cc1 ZINC000169791640 970483049 /nfs/dbraw/zinc/48/30/49/970483049.db2.gz ZZAKDRXQASBYRM-FQEVSTJZSA-N 1 0 400.563 3.609 50 0 HHAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)C1CC1)[C@@H]23)Nc1ccccc1 ZINC000257186412 970621355 /nfs/dbraw/zinc/62/13/55/970621355.db2.gz KKBDEBJRRPLBBN-BQUSRXHISA-N 1 0 409.574 3.907 50 0 HHAARO Cc1ccsc1C[N@@H+]1CCC[C@H](c2nc(CCOCC3CCOCC3)no2)C1 ZINC000257189606 970623835 /nfs/dbraw/zinc/62/38/35/970623835.db2.gz JCZYWFXEGMCFJG-SFHVURJKSA-N 1 0 405.564 3.805 50 0 HHAARO Cc1nnc([C@@H]2CC3(CN2Cc2cccnc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189832 970623870 /nfs/dbraw/zinc/62/38/70/970623870.db2.gz KCAOKVTXZMWICU-NRFANRHFSA-N 1 0 417.513 3.643 50 0 HHAARO COCc1cn(C[C@@H]2CCC[N@H+](Cc3cn(C(C)C)c4ccc(OC)cc34)C2)nn1 ZINC000257192200 970625113 /nfs/dbraw/zinc/62/51/13/970625113.db2.gz QIZVZYXMTFIVLB-GOSISDBHSA-N 1 0 411.550 3.881 50 0 HHAARO Cc1cccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)CCNC(=O)CC2)c1 ZINC000257196654 970626326 /nfs/dbraw/zinc/62/63/26/970626326.db2.gz YPKSLTTYPJENDR-FQEVSTJZSA-N 1 0 419.529 3.716 50 0 HHAARO CCn1cc(CN2CCOc3ccc(C[N@H+](C)CCc4ccccn4)cc3C2)c(C)n1 ZINC000299781014 970724005 /nfs/dbraw/zinc/72/40/05/970724005.db2.gz WFCQYHAUKYHBFT-UHFFFAOYSA-N 1 0 419.573 3.676 50 0 HHAARO CCCCc1ccc(NC(=O)N[C@H]2CCN(c3cc(N4CCCC4)cn[nH+]3)C2)cc1 ZINC000409419926 972891147 /nfs/dbraw/zinc/89/11/47/972891147.db2.gz RVOUKZQPNPRWBZ-FQEVSTJZSA-N 1 0 408.550 3.820 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC000004711680 132285365 /nfs/dbraw/zinc/28/53/65/132285365.db2.gz SNQGBUPWWWNADW-UHFFFAOYSA-N 1 0 409.530 3.991 50 0 HHAARO COc1ccccc1NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000004791735 132288748 /nfs/dbraw/zinc/28/87/48/132288748.db2.gz OVYALIXIJIXEDH-UHFFFAOYSA-N 1 0 402.926 3.682 50 0 aggregator HHAARO COc1cccc(NC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000006785722 132316444 /nfs/dbraw/zinc/31/64/44/132316444.db2.gz YSQCSQKQDGGFEN-UHFFFAOYSA-N 1 0 402.926 3.682 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1noc2c1CCCCC2 ZINC000006901802 132320240 /nfs/dbraw/zinc/32/02/40/132320240.db2.gz KJZXYQQPCGQRKW-UHFFFAOYSA-N 1 0 416.953 3.539 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1ccccc1Cl ZINC000032541529 519714725 /nfs/dbraw/zinc/71/47/25/519714725.db2.gz WSWWCFGOLVICTK-UTKZUKDTSA-N 1 0 421.919 3.876 50 0 HHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000032912219 520748721 /nfs/dbraw/zinc/74/87/21/520748721.db2.gz ZVZVDEBKFQJVTJ-DEOSSOPVSA-N 1 0 409.574 3.640 50 0 HHAARO CCOc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+](C)C)no2)cc1 ZINC000032622942 520805414 /nfs/dbraw/zinc/80/54/14/520805414.db2.gz PIDJRPRIPBFZPH-OAQYLSRUSA-N 1 0 409.486 3.782 50 0 HHAARO CCOc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+](C)C)no2)cc1 ZINC000032622943 520806179 /nfs/dbraw/zinc/80/61/79/520806179.db2.gz PIDJRPRIPBFZPH-NRFANRHFSA-N 1 0 409.486 3.782 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+][C@H]3CCCC[C@H]3C)cc21 ZINC000245238303 521397591 /nfs/dbraw/zinc/39/75/91/521397591.db2.gz JASNWUQUBISMEN-MDYRTPRTSA-N 1 0 402.535 3.571 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000032678880 521700356 /nfs/dbraw/zinc/70/03/56/521700356.db2.gz LYVYYWUWYGQMNN-UHFFFAOYSA-N 1 0 405.445 3.691 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C2(c3ccccc3)CCCC2)c1 ZINC000030822868 522080048 /nfs/dbraw/zinc/08/00/48/522080048.db2.gz GDQVZFSKBCRDKE-UHFFFAOYSA-N 1 0 421.541 3.676 50 0 HHAARO CC[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1ccc2nc(NC(C)=O)sc2c1 ZINC000032959607 522168424 /nfs/dbraw/zinc/16/84/24/522168424.db2.gz ATYAXPDPKWMATM-LJQANCHMSA-N 1 0 424.570 3.824 50 0 HHAARO C[N@H+](Cc1ccccc1NCCOc1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000032851009 523377996 /nfs/dbraw/zinc/37/79/96/523377996.db2.gz MRGVEIGRIPTUJZ-UHFFFAOYSA-N 1 0 417.575 3.589 50 0 HHAARO COc1ccc(C(=O)N(C)C[C@@H]2CCCCO2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000020601361 523602285 /nfs/dbraw/zinc/60/22/85/523602285.db2.gz FRQBEIIIKFSJOM-FQEVSTJZSA-N 1 0 404.551 3.588 50 0 HHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)Oc3ccccc3Cl)CC2)cc1 ZINC000032795857 524027063 /nfs/dbraw/zinc/02/70/63/524027063.db2.gz DQCSEFVEFZEVLA-KRWDZBQOSA-N 1 0 402.922 3.850 50 0 HHAARO C[NH+](C)C1CCN(C(=O)C[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)CC1 ZINC000044123662 524038655 /nfs/dbraw/zinc/03/86/55/524038655.db2.gz AORXSJWGLAGQCA-JOCHJYFZSA-N 1 0 408.542 3.531 50 0 HHAARO COc1cccc([C@@H](CNC(=O)c2cnn(-c3ccccc3F)c2C)[NH+]2CCCC2)c1 ZINC000032903432 524097692 /nfs/dbraw/zinc/09/76/92/524097692.db2.gz YDZPDTPNLKDNBF-HSZRJFAPSA-N 1 0 422.504 3.895 50 0 HHAARO COc1ccccc1[C@@H](CNC(=O)c1ccc2nc(C)c(C)nc2c1)[NH+]1CCCC1 ZINC000032841470 524732267 /nfs/dbraw/zinc/73/22/67/524732267.db2.gz UQAIPUVSSKDNJY-JOCHJYFZSA-N 1 0 404.514 3.822 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(OCc2cccnc2)cc1 ZINC000032078932 525078325 /nfs/dbraw/zinc/07/83/25/525078325.db2.gz SNIJBFVIUVEOJK-UHFFFAOYSA-N 1 0 416.525 3.973 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2cc(F)cc(F)c2)n1 ZINC000040355884 526249656 /nfs/dbraw/zinc/24/96/56/526249656.db2.gz GKIRZNSLEGDCFS-ZDUSSCGKSA-N 1 0 422.501 3.668 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899697 526578831 /nfs/dbraw/zinc/57/88/31/526578831.db2.gz OANSZYURNYWIGX-FYYLOGMGSA-N 1 0 423.532 3.631 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000009874931 535604245 /nfs/dbraw/zinc/60/42/45/535604245.db2.gz WHXGGEKNBOPUGS-UHFFFAOYSA-N 1 0 422.573 3.763 50 0 HHAARO COC(=O)Cc1c[nH]c2cccc(OC[C@H](O)C[N@H+](Cc3ccccc3)C(C)C)c12 ZINC000000984516 557131811 /nfs/dbraw/zinc/13/18/11/557131811.db2.gz KNQIJRKKVHHLNF-HXUWFJFHSA-N 1 0 410.514 3.534 50 0 HHAARO CC(C)(CO)[NH2+]Cc1cc(I)ccc1OCc1ccccc1 ZINC000002881905 557419675 /nfs/dbraw/zinc/41/96/75/557419675.db2.gz IPXRMZAXIXYVAS-UHFFFAOYSA-N 1 0 411.283 3.731 50 0 HHAARO O=C(NCC[NH+]1CCCC1)C1CCN(c2nc3ccccc3n2C2CCCCC2)CC1 ZINC000034906571 557473447 /nfs/dbraw/zinc/47/34/47/557473447.db2.gz LEEXCUUJXAYQJD-UHFFFAOYSA-N 1 0 423.605 3.970 50 0 HHAARO CCCCCCC(=O)N1CCC([NH+]2CCC(C(=O)NCc3ccco3)CC2)CC1 ZINC000034912006 557479078 /nfs/dbraw/zinc/47/90/78/557479078.db2.gz AMXHSQJGRHLZOZ-UHFFFAOYSA-N 1 0 403.567 3.569 50 0 HHAARO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1OC ZINC000004177184 557525065 /nfs/dbraw/zinc/52/50/65/557525065.db2.gz KRUXPENPUGDVMQ-HXUWFJFHSA-N 1 0 414.521 3.756 50 0 HHAARO COc1ccccc1C1CC[NH+](Cc2cccc(C(=O)N3CCC(O)CC3)c2)CC1 ZINC000004324938 557541914 /nfs/dbraw/zinc/54/19/14/557541914.db2.gz HDNAQFOUEZTRAC-UHFFFAOYSA-N 1 0 408.542 3.672 50 0 HHAARO Cc1cc(C)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Br ZINC000004667021 557578949 /nfs/dbraw/zinc/57/89/49/557578949.db2.gz XOIZUCPCKDHMMY-UHFFFAOYSA-N 1 0 403.386 3.653 50 0 HHAARO COc1cccc(C[NH2+]CCCN2CCOCC2)c1OCc1ccc(Cl)cc1 ZINC000005019610 557626546 /nfs/dbraw/zinc/62/65/46/557626546.db2.gz WOTBJFKVUDRNQB-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO O=S(=O)(c1ccccc1)N(C[C@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000005022560 557626759 /nfs/dbraw/zinc/62/67/59/557626759.db2.gz WTZFAWWTWNWLNK-OAQYLSRUSA-N 1 0 424.566 3.882 50 0 HHAARO C[NH+]1CCN([C@H](CNC(=O)NCc2cccc3ccccc32)c2ccsc2)CC1 ZINC000022767029 557815036 /nfs/dbraw/zinc/81/50/36/557815036.db2.gz YTJGCGUHMMDPTM-JOCHJYFZSA-N 1 0 408.571 3.689 50 0 HHAARO O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019731894 558259880 /nfs/dbraw/zinc/25/98/80/558259880.db2.gz CJVDGQNXVPOXBG-RHCLBKJASA-N 1 0 416.581 3.932 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 ZINC000011662066 558265846 /nfs/dbraw/zinc/26/58/46/558265846.db2.gz BBWDJJLHELVSKY-DEOSSOPVSA-N 1 0 422.504 3.610 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cn5ccccc5n4)C3)C2)c1 ZINC000011662067 558265933 /nfs/dbraw/zinc/26/59/33/558265933.db2.gz BBWDJJLHELVSKY-XMMPIXPASA-N 1 0 422.504 3.610 50 0 HHAARO CN(Cc1cc[nH]n1)C(=O)c1cccc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000011663588 558267412 /nfs/dbraw/zinc/26/74/12/558267412.db2.gz FGNLUCABSFQRDL-UHFFFAOYSA-N 1 0 418.541 3.768 50 0 HHAARO COCCCC1CC[NH+](Cc2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000011664103 558267595 /nfs/dbraw/zinc/26/75/95/558267595.db2.gz IXYNPMOJBDXGEU-UHFFFAOYSA-N 1 0 403.523 3.741 50 0 HHAARO C[NH+](C)[C@@H]1CCN(C(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)C1 ZINC000011753657 558272470 /nfs/dbraw/zinc/27/24/70/558272470.db2.gz GCUWPQFDUKLSGJ-CQSZACIVSA-N 1 0 408.449 3.858 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000011770265 558274372 /nfs/dbraw/zinc/27/43/72/558274372.db2.gz IAEXNCQILPFEDN-OAQYLSRUSA-N 1 0 411.590 3.729 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)Cc1ccc(F)cc1 ZINC000011816837 558280167 /nfs/dbraw/zinc/28/01/67/558280167.db2.gz DDFWTAXMXASTGI-UHFFFAOYSA-N 1 0 416.512 3.895 50 0 HHAARO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(OC)c2OC)oc1C ZINC000011817604 558280851 /nfs/dbraw/zinc/28/08/51/558280851.db2.gz VMAFMSMIALRPPG-INIZCTEOSA-N 1 0 402.491 3.975 50 0 HHAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)c(C)n1 ZINC000011818391 558281599 /nfs/dbraw/zinc/28/15/99/558281599.db2.gz LBIXNSAMWTVEQR-UHFFFAOYSA-N 1 0 410.497 3.636 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c(F)c1 ZINC000011820702 558283891 /nfs/dbraw/zinc/28/38/91/558283891.db2.gz CTSLFEBFVCHYSK-IBGZPJMESA-N 1 0 413.537 3.923 50 0 HHAARO CC(C)OCCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011873519 558291171 /nfs/dbraw/zinc/29/11/71/558291171.db2.gz INXKZBICKQLOLD-UHFFFAOYSA-N 1 0 411.546 3.670 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccccc2N(C)C)C1 ZINC000011873498 558291177 /nfs/dbraw/zinc/29/11/77/558291177.db2.gz WGTSNFNHLLTOBJ-HXUWFJFHSA-N 1 0 409.574 3.788 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3cnc(SC)nc3)C2)cc1 ZINC000011873390 558291212 /nfs/dbraw/zinc/29/12/12/558291212.db2.gz JTSUBCGXYSTHOI-IBGZPJMESA-N 1 0 400.592 3.594 50 0 HHAARO O=S(=O)(NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1)c1cccc2cccnc21 ZINC000011879233 558293849 /nfs/dbraw/zinc/29/38/49/558293849.db2.gz NBHNZGBDSRQDCF-ISPXXFMDSA-N 1 0 421.566 3.939 50 0 HHAARO CN(Cc1cscn1)C(=O)[C@H]1CC12CC[NH+](Cc1cn(C)c3ccccc13)CC2 ZINC000011881539 558295205 /nfs/dbraw/zinc/29/52/05/558295205.db2.gz ZXCYWQGODADRLZ-HXUWFJFHSA-N 1 0 408.571 3.896 50 0 HHAARO Cn1cc(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cn1 ZINC000011881637 558295257 /nfs/dbraw/zinc/29/52/57/558295257.db2.gz TWNLWEGXBIHYRJ-JOCHJYFZSA-N 1 0 406.574 3.650 50 0 HHAARO O=C1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)CCN1Cc1ccc(F)cc1 ZINC000011910023 558296455 /nfs/dbraw/zinc/29/64/55/558296455.db2.gz WGZKCDKMCMPXGE-UHFFFAOYSA-N 1 0 406.461 3.643 50 0 HHAARO COc1ccc(CC(=O)NC[C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)cc1 ZINC000011938557 558301930 /nfs/dbraw/zinc/30/19/30/558301930.db2.gz CFQDNYJQZZAFRZ-HXUWFJFHSA-N 1 0 405.542 3.758 50 0 HHAARO CCOC(=O)N1CCC([N@H+](C)C[C@@H]2CCCN(CCc3ccccc3OC)C2)CC1 ZINC000011955633 558303570 /nfs/dbraw/zinc/30/35/70/558303570.db2.gz HRPVYDCSOMIUOT-FQEVSTJZSA-N 1 0 417.594 3.502 50 0 HHAARO Cc1ccc(OCCN(C)C(=O)[C@H]2CC23CC[NH+](C2CCSCC2)CC3)cc1 ZINC000011996063 558306567 /nfs/dbraw/zinc/30/65/67/558306567.db2.gz ZGXDDSMWHVNZLH-OAQYLSRUSA-N 1 0 402.604 3.830 50 0 HHAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012024624 558310025 /nfs/dbraw/zinc/31/00/25/558310025.db2.gz GYFHNYOPLYJYQB-INIZCTEOSA-N 1 0 406.933 3.830 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2sc(C)nc2C)C1 ZINC000012053367 558314916 /nfs/dbraw/zinc/31/49/16/558314916.db2.gz JHNNAYFIPSSUKS-IBGZPJMESA-N 1 0 415.603 3.724 50 0 HHAARO COC[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012074210 558318907 /nfs/dbraw/zinc/31/89/07/558318907.db2.gz NYLCWZPUVBALBO-IBGZPJMESA-N 1 0 405.498 3.795 50 0 HHAARO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012092975 558324671 /nfs/dbraw/zinc/32/46/71/558324671.db2.gz GEMIQXMTTZAHJO-XMMPIXPASA-N 1 0 414.553 3.635 50 0 HHAARO CC(=O)Nc1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c1 ZINC000012093300 558324681 /nfs/dbraw/zinc/32/46/81/558324681.db2.gz MQSGBXKYLGZAAP-HXUWFJFHSA-N 1 0 411.521 3.811 50 0 HHAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1ccc(F)cc1 ZINC000012099405 558325597 /nfs/dbraw/zinc/32/55/97/558325597.db2.gz IAEUTGPQXMPGIS-GOSISDBHSA-N 1 0 418.896 3.921 50 0 HHAARO CC[NH+](CC)CCN(C)C(=O)c1cnn(-c2nccc(-c3ccc(C)o3)n2)c1C1CC1 ZINC000012148824 558338447 /nfs/dbraw/zinc/33/84/47/558338447.db2.gz JUDMAPRPTWZQKC-UHFFFAOYSA-N 1 0 422.533 3.522 50 0 HHAARO Cc1ccc(C)c(-n2cc(C[NH2+]CCN3CCC(O)CC3)c(-c3ccccc3)n2)c1 ZINC000020256366 558352185 /nfs/dbraw/zinc/35/21/85/558352185.db2.gz LLBBXTBGKCNMHK-UHFFFAOYSA-N 1 0 404.558 3.702 50 0 HHAARO O=C(CCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(Br)c1 ZINC000020292429 558354159 /nfs/dbraw/zinc/35/41/59/558354159.db2.gz VLGTUQTYPLSKRV-UHFFFAOYSA-N 1 0 402.336 3.596 50 0 HHAARO O=C1c2ccccc2C(=O)N1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421522 558361809 /nfs/dbraw/zinc/36/18/09/558361809.db2.gz GFCRHKRRWVVLSB-UHFFFAOYSA-N 1 0 411.505 3.647 50 0 HHAARO O=c1c(C[NH2+]Cc2ccc3c(c2)OCO3)cc2ccc(F)cc2n1Cc1cccnc1 ZINC000012248138 558362124 /nfs/dbraw/zinc/36/21/24/558362124.db2.gz OSRQLMACAHJOCZ-UHFFFAOYSA-N 1 0 417.440 3.602 50 0 HHAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000012299110 558369265 /nfs/dbraw/zinc/36/92/65/558369265.db2.gz NXNOJOWKIDNUQT-SANMLTNESA-N 1 0 406.570 3.710 50 0 HHAARO Cc1ccc(C)c(OCc2cc(C(=O)N3CCC([NH+]4CCSCC4)CC3)no2)c1 ZINC000012301480 558371179 /nfs/dbraw/zinc/37/11/79/558371179.db2.gz VXCLMRIYXHHNPC-UHFFFAOYSA-N 1 0 415.559 3.524 50 0 HHAARO CSCCC[N@@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012302121 558371864 /nfs/dbraw/zinc/37/18/64/558371864.db2.gz ZCXYARUFIAYZNP-QFIPXVFZSA-N 1 0 403.636 3.576 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)cc1 ZINC000012303692 558373051 /nfs/dbraw/zinc/37/30/51/558373051.db2.gz UXTOBSWROYPEKZ-DQYQWZCESA-N 1 0 414.571 3.789 50 0 HHAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N(C)C2CCOCC2)c1 ZINC000012306205 558374933 /nfs/dbraw/zinc/37/49/33/558374933.db2.gz FUCFIMXVQLJPGT-UHFFFAOYSA-N 1 0 423.557 3.684 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)N2CCC[C@@H](OC)C2)c1 ZINC000012315291 558378621 /nfs/dbraw/zinc/37/86/21/558378621.db2.gz VABJGRVRCLEJOF-OAQYLSRUSA-N 1 0 416.562 3.732 50 0 HHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCSc2c[nH]nn2)c1 ZINC000012317806 558381168 /nfs/dbraw/zinc/38/11/68/558381168.db2.gz HZHGFCLGUKSWGF-UHFFFAOYSA-N 1 0 406.515 3.548 50 0 HHAARO CCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012317976 558381469 /nfs/dbraw/zinc/38/14/69/558381469.db2.gz XHHVFPIFKNSBSN-XMMPIXPASA-N 1 0 423.557 3.766 50 0 HHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccccc2N(C)C)CC1 ZINC000012320823 558382642 /nfs/dbraw/zinc/38/26/42/558382642.db2.gz JWGYDRMXHOGXCW-UHFFFAOYSA-N 1 0 409.574 3.788 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000020517727 558383159 /nfs/dbraw/zinc/38/31/59/558383159.db2.gz PANHUMAEPJBRCQ-ISPGYRLHSA-N 1 0 409.917 3.942 50 0 HHAARO CC(=O)Nc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1 ZINC000012385192 558394280 /nfs/dbraw/zinc/39/42/80/558394280.db2.gz UXWOJHOVHXYMRW-UHFFFAOYSA-N 1 0 409.534 3.807 50 0 HHAARO CCOC(=O)C1CCN(C(=O)C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000020728653 558405679 /nfs/dbraw/zinc/40/56/79/558405679.db2.gz CZNAAOIKRGUJBB-UHFFFAOYSA-N 1 0 406.526 3.510 50 0 HHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012435044 558408833 /nfs/dbraw/zinc/40/88/33/558408833.db2.gz OKPPWGGAVDFNJZ-LJQANCHMSA-N 1 0 403.486 3.823 50 0 HHAARO Cc1cc(C)n(CCC[NH2+]Cc2cc3ccc(F)cc3n(Cc3ccccn3)c2=O)n1 ZINC000012453302 558416343 /nfs/dbraw/zinc/41/63/43/558416343.db2.gz WYVBGLPDGHQRHH-UHFFFAOYSA-N 1 0 419.504 3.577 50 0 HHAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](CNC(=O)c4cccnc4)C3)c2)n1 ZINC000012573404 558430062 /nfs/dbraw/zinc/43/00/62/558430062.db2.gz FXSJAHHAYWKJFM-OAQYLSRUSA-N 1 0 403.530 3.526 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCCC[C@H]1CO ZINC000012576186 558430943 /nfs/dbraw/zinc/43/09/43/558430943.db2.gz POLLRBDTDATIEU-QHCPKHFHSA-N 1 0 422.569 3.760 50 0 HHAARO COc1cc(F)ccc1C[NH+]1CCC(n2nccc2NC(=O)c2cccnc2)CC1 ZINC000012595388 558437417 /nfs/dbraw/zinc/43/74/17/558437417.db2.gz XDYLGOIMQBJZMH-UHFFFAOYSA-N 1 0 409.465 3.515 50 0 HHAARO C[NH+](C)CCN(C(=O)c1ccc(Cl)s1)c1nc2cc3c(cc2s1)OCO3 ZINC000004359339 558451031 /nfs/dbraw/zinc/45/10/31/558451031.db2.gz LWTLWGHCENYPOU-UHFFFAOYSA-N 1 0 409.920 3.948 50 0 HHAARO Cc1cc2sc(N(CC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)nc2c(C)c1 ZINC000004359396 558451598 /nfs/dbraw/zinc/45/15/98/558451598.db2.gz QKLLJECTIYCPLW-GOSISDBHSA-N 1 0 411.527 3.648 50 0 HHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)c1 ZINC000012713541 558453831 /nfs/dbraw/zinc/45/38/31/558453831.db2.gz OUGOFHJTTPSDML-XMMPIXPASA-N 1 0 415.530 3.538 50 0 HHAARO O[C@@H](COCc1ccco1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022030025 558459073 /nfs/dbraw/zinc/45/90/73/558459073.db2.gz XJARCBWQBOGRIF-HSZRJFAPSA-N 1 0 406.526 3.564 50 0 HHAARO C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCc2c1cccc2Br ZINC000072095139 558459998 /nfs/dbraw/zinc/45/99/98/558459998.db2.gz FMYDDBUAOYRBLT-SFHVURJKSA-N 1 0 403.320 3.807 50 0 HHAARO CC[C@@H](COC)NC(=O)c1ccc(OC2CC[NH+](C3CCCC3)CC2)c(OC)c1 ZINC000012756553 558460078 /nfs/dbraw/zinc/46/00/78/558460078.db2.gz OXUKFFBCQVIXHI-SFHVURJKSA-N 1 0 404.551 3.636 50 0 HHAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cn1 ZINC000012757864 558460397 /nfs/dbraw/zinc/46/03/97/558460397.db2.gz NCTRMYRUGNIJRX-UHFFFAOYSA-N 1 0 420.561 3.898 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cn(-c2ccc(F)cc2)nc1-c1cccc(OC)c1 ZINC000012801328 558471846 /nfs/dbraw/zinc/47/18/46/558471846.db2.gz VILALPBQQUHDNA-UHFFFAOYSA-N 1 0 410.493 3.759 50 0 HHAARO C[C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NC(=O)c1ccccc1 ZINC000022619695 558503017 /nfs/dbraw/zinc/50/30/17/558503017.db2.gz MARZVFGFFSPATJ-DYESRHJHSA-N 1 0 413.949 3.802 50 0 HHAARO C[C@@H](CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)NC(=O)c1ccccc1 ZINC000022681454 558504419 /nfs/dbraw/zinc/50/44/19/558504419.db2.gz ZCKYHIMSUCITGF-AZUAARDMSA-N 1 0 413.587 3.846 50 0 HHAARO CN(C)C(=[NH2+])SCc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000022727693 558506615 /nfs/dbraw/zinc/50/66/15/558506615.db2.gz ZAWANKHDCXIVCQ-UHFFFAOYSA-N 1 0 420.130 3.590 50 0 HHAARO O=c1c2ccccc2cnn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022913163 558520213 /nfs/dbraw/zinc/52/02/13/558520213.db2.gz YLAPELBYAXVNSL-UHFFFAOYSA-N 1 0 410.521 3.761 50 0 HHAARO O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022924757 558522796 /nfs/dbraw/zinc/52/27/96/558522796.db2.gz MOWOJAZEQKCOJX-UHFFFAOYSA-N 1 0 416.569 3.548 50 0 HHAARO C[N@H+](CCc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000023128944 558536598 /nfs/dbraw/zinc/53/65/98/558536598.db2.gz DUEYJYGKJWDQKJ-XMMPIXPASA-N 1 0 415.537 3.857 50 0 HHAARO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CCOc2ccccc2OC)CC1 ZINC000023139738 558537552 /nfs/dbraw/zinc/53/75/52/558537552.db2.gz NEQBYZOPAVINBZ-UHFFFAOYSA-N 1 0 417.937 3.898 50 0 HHAARO CC(C)CC(=O)Nc1ccnn1C1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000023360027 558551855 /nfs/dbraw/zinc/55/18/55/558551855.db2.gz RDAVNICYOINASS-QFIPXVFZSA-N 1 0 409.578 3.779 50 0 HHAARO OCC[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)CC[N@@H+]1Cc1ccccc1 ZINC000023360410 558551874 /nfs/dbraw/zinc/55/18/74/558551874.db2.gz ABXUNKFPSUJBEL-QHCPKHFHSA-N 1 0 422.960 3.866 50 0 HHAARO O=C1c2ccccc2[C@H]([NH2+]CCCN2CCOCC2)N1[C@H]1CCCc2ccccc21 ZINC000023504882 558560203 /nfs/dbraw/zinc/56/02/03/558560203.db2.gz ZCEQVZRJMTYIAP-BJKOFHAPSA-N 1 0 405.542 3.531 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)O[C@@H](C)C2 ZINC000024763104 558611291 /nfs/dbraw/zinc/61/12/91/558611291.db2.gz SFCMUGLNFWUXPT-LPHOPBHVSA-N 1 0 402.560 3.633 50 0 HHAARO Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000024985323 558624767 /nfs/dbraw/zinc/62/47/67/558624767.db2.gz SDNYVZVJYMFPNP-MTNXOHHFSA-N 1 0 405.542 3.571 50 0 HHAARO Cc1ccc([C@H]([NH2+][C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000025049033 558628556 /nfs/dbraw/zinc/62/85/56/558628556.db2.gz ZPNJQMMHMHYALU-VLIAUNLRSA-N 1 0 406.511 3.932 50 0 HHAARO C[C@@H]1Sc2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc2NC1=O ZINC000014226672 558638835 /nfs/dbraw/zinc/63/88/35/558638835.db2.gz WWXBMDSNJLUCQZ-XJKSGUPXSA-N 1 0 401.557 3.748 50 0 HHAARO Cc1ccc(OCCC[NH+]2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1C ZINC000025946554 558652619 /nfs/dbraw/zinc/65/26/19/558652619.db2.gz NKMSJRNFKXNAEX-UHFFFAOYSA-N 1 0 402.560 3.515 50 0 HHAARO CC(C)CCN1C(=O)N(CCCc2ccncc2)C(=O)C12CC[NH+](C(C)C)CC2 ZINC000014531884 558656446 /nfs/dbraw/zinc/65/64/46/558656446.db2.gz SZACNANSZRANDP-UHFFFAOYSA-N 1 0 400.567 3.568 50 0 HHAARO CCC(CC)C[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC ZINC000014534455 558657642 /nfs/dbraw/zinc/65/76/42/558657642.db2.gz ZLRWQSHEEFDYLT-UHFFFAOYSA-N 1 0 400.567 3.569 50 0 HHAARO O=c1[nH]c2ccc([S@](=O)CC[NH+]3CCC(Cc4ccc(F)cc4)CC3)cc2o1 ZINC000027299445 558671857 /nfs/dbraw/zinc/67/18/57/558671857.db2.gz FCBQJNCAKZSIAH-NDEPHWFRSA-N 1 0 402.491 3.735 50 0 in-man HHAARO CCc1ccc([C@H](CNC(=O)c2ccc(OCc3noc(C)n3)cc2)[NH+](C)C)cc1 ZINC000027597769 558677088 /nfs/dbraw/zinc/67/70/88/558677088.db2.gz REPKGFWHHISLCX-NRFANRHFSA-N 1 0 408.502 3.552 50 0 HHAARO Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)c12 ZINC000027608037 558677359 /nfs/dbraw/zinc/67/73/59/558677359.db2.gz OWJOZEKWUJBHCE-SFHVURJKSA-N 1 0 409.559 3.783 50 0 HHAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000014951057 558680983 /nfs/dbraw/zinc/68/09/83/558680983.db2.gz AKVZWAUMWGIDDZ-QHCPKHFHSA-N 1 0 409.486 3.619 50 0 HHAARO C[NH+]1CCN([C@H](CNC(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000027793505 558682649 /nfs/dbraw/zinc/68/26/49/558682649.db2.gz LFBHIGZUDFBARN-HXUWFJFHSA-N 1 0 406.357 3.641 50 0 HHAARO O=C(c1ccco1)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000014971933 558687428 /nfs/dbraw/zinc/68/74/28/558687428.db2.gz VOOUQPCFSUTYQC-QHCPKHFHSA-N 1 0 408.542 3.780 50 0 HHAARO C[NH+](C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 ZINC000014999871 558697326 /nfs/dbraw/zinc/69/73/26/558697326.db2.gz FFLFRZMXDFHKMH-NRFANRHFSA-N 1 0 408.464 3.869 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C ZINC000015001136 558697965 /nfs/dbraw/zinc/69/79/65/558697965.db2.gz WQGKPWIWYBRFAZ-UHFFFAOYSA-N 1 0 412.563 3.586 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)c3ccc(OCC(C)C)cc3)CCCCC2)CC1 ZINC000028293134 558698335 /nfs/dbraw/zinc/69/83/35/558698335.db2.gz DCGXABFRUSSOSI-UHFFFAOYSA-N 1 0 401.595 3.792 50 0 HHAARO CSC[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000015065901 558708839 /nfs/dbraw/zinc/70/88/39/558708839.db2.gz DGYHQEHEFOLYFS-QGZVFWFLSA-N 1 0 402.564 3.679 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F ZINC000015067779 558710444 /nfs/dbraw/zinc/71/04/44/558710444.db2.gz KEKNIEFKMHPULN-SFHVURJKSA-N 1 0 408.477 3.871 50 0 HHAARO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000029161920 558710899 /nfs/dbraw/zinc/71/08/99/558710899.db2.gz PJCCOZOSDFNHNM-UHFFFAOYSA-N 1 0 405.464 3.643 50 0 HHAARO Cc1ccc(OCc2cc(C(=O)NCC[N@@H+]3CCC[C@@H](c4ccccc4)C3)no2)cn1 ZINC000015069330 558711646 /nfs/dbraw/zinc/71/16/46/558711646.db2.gz CKZVSHYEGODUDV-HXUWFJFHSA-N 1 0 420.513 3.566 50 0 HHAARO COc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)c(OC)c1 ZINC000015070895 558712833 /nfs/dbraw/zinc/71/28/33/558712833.db2.gz SQLPRJQZNYCZBJ-HXUWFJFHSA-N 1 0 424.545 3.522 50 0 HHAARO COc1ccc(NC(=O)c2c(NC(=O)C[NH2+]C(C)(C)C)sc3c2CCC3)cc1 ZINC000004553408 558720580 /nfs/dbraw/zinc/72/05/80/558720580.db2.gz ICPICCRLTPIWRT-UHFFFAOYSA-N 1 0 401.532 3.824 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[NH+]2[C@H](C)CCC[C@H]2C)c2ccccc21 ZINC000004564067 558733560 /nfs/dbraw/zinc/73/35/60/558733560.db2.gz GHACAOSFFQCUQY-QZTJIDSGSA-N 1 0 415.603 3.883 50 0 HHAARO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1cccc(F)c1)CC(C)C ZINC000004585921 558781299 /nfs/dbraw/zinc/78/12/99/558781299.db2.gz UFXLININODCTHK-QFIPXVFZSA-N 1 0 404.526 3.838 50 0 HHAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(O)c1)N(CCC[NH+](C)C)C3=O ZINC000016741925 558803893 /nfs/dbraw/zinc/80/38/93/558803893.db2.gz YRKBBNSIMMLVSP-OAQYLSRUSA-N 1 0 406.482 3.612 50 0 HHAARO COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016750756 558804571 /nfs/dbraw/zinc/80/45/71/558804571.db2.gz AOSFJTAYTCVOBQ-OAQYLSRUSA-N 1 0 406.482 3.607 50 0 HHAARO COc1cccc(CN2CC[N@@H+](C3CCN(c4ccccc4C)CC3)C[C@H]2CCO)c1 ZINC000038149457 558811003 /nfs/dbraw/zinc/81/10/03/558811003.db2.gz GDIWPBQWHPQJDD-XMMPIXPASA-N 1 0 423.601 3.541 50 0 HHAARO O=C(Nc1ccccc1C(=O)NCc1ccc(Cn2ccnc2)cc1)c1ccco1 ZINC000033002344 558826877 /nfs/dbraw/zinc/82/68/77/558826877.db2.gz IXLINWHEEHYJSU-UHFFFAOYSA-N 1 0 400.438 3.707 50 0 HHAARO COc1ccc2[nH]cc(CC[NH2+][C@H]3CC(=O)N(c4cc(Cl)ccc4C)C3=O)c2c1 ZINC000018088216 558830972 /nfs/dbraw/zinc/83/09/72/558830972.db2.gz ALRLARFVZSBGAT-IBGZPJMESA-N 1 0 411.889 3.603 50 0 HHAARO CCOc1ccccc1N1C(=O)C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000018088266 558831002 /nfs/dbraw/zinc/83/10/02/558831002.db2.gz BOPISWQPFYPLPU-SFHVURJKSA-N 1 0 411.889 3.684 50 0 HHAARO O=C1C[C@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1cccc(Cl)c1 ZINC000018244418 558834413 /nfs/dbraw/zinc/83/44/13/558834413.db2.gz ZPQGNKIGSXBTTC-SFHVURJKSA-N 1 0 402.281 3.939 50 0 HHAARO Cc1nn(C)cc1C[N@H+](C)Cc1ccc(-c2nc(C(F)(F)F)c(C)c(=O)[nH]2)cc1 ZINC000048488375 558845557 /nfs/dbraw/zinc/84/55/57/558845557.db2.gz LYLNFELOXWGCAC-UHFFFAOYSA-N 1 0 405.424 3.850 50 0 HHAARO O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NCCC[NH+]1CCCC1 ZINC000033072899 558867183 /nfs/dbraw/zinc/86/71/83/558867183.db2.gz YCFWAWRJPQNCFF-UHFFFAOYSA-N 1 0 423.536 3.544 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CCN(c2ccc(-n3cccc3)cn2)CC1 ZINC000033106223 558873799 /nfs/dbraw/zinc/87/37/99/558873799.db2.gz GGFQNISTEHXNNU-QFIPXVFZSA-N 1 0 423.605 3.860 50 0 HHAARO Cn1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055243770 558877112 /nfs/dbraw/zinc/87/71/12/558877112.db2.gz PGTYKWABHGMNOT-UHFFFAOYSA-N 1 0 424.932 3.834 50 0 HHAARO C/C(=C\c1ccco1)C[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccccc3C)n2CC1 ZINC000055568757 558882927 /nfs/dbraw/zinc/88/29/27/558882927.db2.gz CAPFZVDNLCGGMR-POWXATIXSA-N 1 0 419.529 3.632 50 0 HHAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cnc(SC)nc2)C1 ZINC000055576121 558883165 /nfs/dbraw/zinc/88/31/65/558883165.db2.gz BOIDZSPBIWRGQC-QFIPXVFZSA-N 1 0 415.559 3.595 50 0 HHAARO CC[C@H](C)NC(=O)Cn1cc(-c2nnc(C[NH+]3CCC(C)CC3)o2)c2ccccc21 ZINC000033129356 558885340 /nfs/dbraw/zinc/88/53/40/558885340.db2.gz VDEMXSAIXPDXAA-KRWDZBQOSA-N 1 0 409.534 3.838 50 0 HHAARO COc1cc(C[NH+]2CCC(NC(=O)Nc3cccc(C)c3)CC2)cc(OC)c1OC ZINC000057530807 558888936 /nfs/dbraw/zinc/88/89/36/558888936.db2.gz SXQXQYFGXSGGOE-UHFFFAOYSA-N 1 0 413.518 3.807 50 0 HHAARO CC(C)[C@H](CNC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+]1CCCCCC1 ZINC000058067075 558897798 /nfs/dbraw/zinc/89/77/98/558897798.db2.gz MHTKOMUQIIYQDY-FQEVSTJZSA-N 1 0 411.554 3.697 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCO[C@@H]3CCCC[C@H]3C)cc2C)CC1 ZINC000058109346 558899289 /nfs/dbraw/zinc/89/92/89/558899289.db2.gz NJFJDDUSOHOYLO-XMSQKQJNSA-N 1 0 402.583 3.854 50 0 HHAARO C[NH+](C)CCC1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)CC1 ZINC000058210665 558912098 /nfs/dbraw/zinc/91/20/98/558912098.db2.gz VLGVQBATGMRHSI-UHFFFAOYSA-N 1 0 424.630 3.977 50 0 HHAARO COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000058306344 558918320 /nfs/dbraw/zinc/91/83/20/558918320.db2.gz QHOLZANIEZXAAP-UHFFFAOYSA-N 1 0 423.557 3.546 50 0 HHAARO CCCC[N@@H+]1Cc2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2C1 ZINC000058325550 558919791 /nfs/dbraw/zinc/91/97/91/558919791.db2.gz LBFOPDQFPDQJMO-UHFFFAOYSA-N 1 0 401.532 3.735 50 0 HHAARO CC[C@@H](C)[N@H+](C)CCNC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 ZINC000058406125 558924549 /nfs/dbraw/zinc/92/45/49/558924549.db2.gz GXEKFWQGFIKXJT-CQSZACIVSA-N 1 0 401.511 3.595 50 0 HHAARO Cc1ccc2c(C(=O)N(C)CC3CC[NH+](C)CC3)cc(-c3cnn(C)c3)nc2c1C ZINC000063856931 558959809 /nfs/dbraw/zinc/95/98/09/558959809.db2.gz PHOUZXIOLOGJHJ-UHFFFAOYSA-N 1 0 405.546 3.666 50 0 HHAARO O=C(NCCC[NH+]1CCCC1)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2 ZINC000021915186 558971717 /nfs/dbraw/zinc/97/17/17/558971717.db2.gz FLZVYFGPGRSPHR-UHFFFAOYSA-N 1 0 420.557 3.739 50 0 HHAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CCN(C)C(=O)C2)cc1OC ZINC000072454167 558982844 /nfs/dbraw/zinc/98/28/44/558982844.db2.gz RAKAUAAYKNILMR-UHFFFAOYSA-N 1 0 405.498 3.501 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067604028 558988201 /nfs/dbraw/zinc/98/82/01/558988201.db2.gz NIUYCIYTHNTWMD-UHFFFAOYSA-N 1 0 417.916 3.530 50 0 HHAARO CC(C)C(NC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C(C)C ZINC000082087669 559037004 /nfs/dbraw/zinc/03/70/04/559037004.db2.gz GSZSPWNXSPQXTP-NRFANRHFSA-N 1 0 400.611 3.555 50 0 HHAARO C[C@@H]1CCC[N@H+](CC2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)C1 ZINC000033312349 559054759 /nfs/dbraw/zinc/05/47/59/559054759.db2.gz ILWGKUCXWGLHAB-OAHLLOKOSA-N 1 0 402.963 3.753 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000247475643 559070971 /nfs/dbraw/zinc/07/09/71/559070971.db2.gz HBNNDWATDWCNGP-UXHICEINSA-N 1 0 413.512 3.820 50 0 HHAARO C=Cc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)cc1 ZINC000095354964 559079873 /nfs/dbraw/zinc/07/98/73/559079873.db2.gz WJBNAUGKYZVUPO-TUACAJSNSA-N 1 0 402.494 3.761 50 0 HHAARO COc1ccccc1[C@H]1c2c(oc3ccc(Cl)cc3c2=O)C(=O)N1CC[NH+](C)C ZINC000011614657 559114518 /nfs/dbraw/zinc/11/45/18/559114518.db2.gz YDKLJGHHCOCUEO-IBGZPJMESA-N 1 0 412.873 3.562 50 0 HHAARO CCOc1cc(C[NH2+]CCNc2ccccn2)ccc1OCC(=O)Nc1ccccc1 ZINC000072310920 559163249 /nfs/dbraw/zinc/16/32/49/559163249.db2.gz XMIYSHLGKHOMTA-UHFFFAOYSA-N 1 0 420.513 3.700 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000023359884 559173192 /nfs/dbraw/zinc/17/31/92/559173192.db2.gz GAIJPMJBASKIRZ-UTKZUKDTSA-N 1 0 421.919 3.876 50 0 HHAARO CC[N@H+](CCCNC(=O)CSc1cc(=O)n(C)c2ccccc12)Cc1ccccc1 ZINC000005007861 559226727 /nfs/dbraw/zinc/22/67/27/559226727.db2.gz NRRAJGMJMKZPBP-UHFFFAOYSA-N 1 0 423.582 3.659 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12 ZINC000005066841 559239974 /nfs/dbraw/zinc/23/99/74/559239974.db2.gz KPKMRLLXFIHDQE-UHFFFAOYSA-N 1 0 409.983 3.522 50 0 HHAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000005097307 559245082 /nfs/dbraw/zinc/24/50/82/559245082.db2.gz GCJDGLFVVWWIMP-JOCHJYFZSA-N 1 0 402.535 3.938 50 0 HHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)nc2c1C ZINC000005121563 559248516 /nfs/dbraw/zinc/24/85/16/559248516.db2.gz ZOVNSCICTZVZSW-UHFFFAOYSA-N 1 0 411.527 3.893 50 0 HHAARO COCCCN(C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)c1cc(CCC(C)C)n[nH]1 ZINC000409415027 559251035 /nfs/dbraw/zinc/25/10/35/559251035.db2.gz RNSYTVZHTBTVMV-KNQAVFIVSA-N 1 0 404.599 3.742 50 0 HHAARO C[NH+](C)[C@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000100792622 559267404 /nfs/dbraw/zinc/26/74/04/559267404.db2.gz OYBOOSWHSZRNLY-RDGATRHJSA-N 1 0 412.493 3.662 50 0 biogenic HHAARO COc1cc2cc(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)[nH]c2cc1OC ZINC000409415169 560588162 /nfs/dbraw/zinc/58/81/62/560588162.db2.gz WAIZRBURGOLUPN-UHFFFAOYSA-N 1 0 409.486 3.912 50 0 HHAARO COC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CC[NH+](C2CCCCC2)CC1 ZINC000003071358 560588869 /nfs/dbraw/zinc/58/88/69/560588869.db2.gz OCLSCBXGCGHFDB-UHFFFAOYSA-N 1 0 419.529 3.662 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)c(C)c1 ZINC000008901638 560640164 /nfs/dbraw/zinc/64/01/64/560640164.db2.gz SSAKUQJGLGRXDU-IBGZPJMESA-N 1 0 408.589 3.961 50 0 HHAARO COc1cc(CN2CCc3cc(OC)c(OC)cc3C2)cc(Br)c1O ZINC000000755742 560725595 /nfs/dbraw/zinc/72/55/95/560725595.db2.gz GEHDHVOPJLNBOV-UHFFFAOYSA-N 1 0 408.292 3.739 50 0 HHAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(COc3cccc4cnccc43)on2)C1 ZINC000012072342 560888549 /nfs/dbraw/zinc/88/85/49/560888549.db2.gz JOMLVDKACLEQHV-KRWDZBQOSA-N 1 0 408.502 3.510 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3ccc(Cl)cc3)cc2)CC1 ZINC000048289346 568434970 /nfs/dbraw/zinc/43/49/70/568434970.db2.gz VFXGOOCKSRMFPO-UHFFFAOYSA-N 1 0 415.965 3.563 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)CN(C)C(=O)c3ccccc3)cc2)C1 ZINC000048310971 568436786 /nfs/dbraw/zinc/43/67/86/568436786.db2.gz LCECOWRJIMYWNX-WOJBJXKFSA-N 1 0 407.558 3.553 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccsc1 ZINC000048311925 568437164 /nfs/dbraw/zinc/43/71/64/568437164.db2.gz KQWFCFCVAAEZMY-SUMWQHHRSA-N 1 0 402.520 3.672 50 0 HHAARO CCOC(=O)N1CCC(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000048340065 568440243 /nfs/dbraw/zinc/44/02/43/568440243.db2.gz CKSFYSMDDPFRKK-KDURUIRLSA-N 1 0 415.578 3.649 50 0 HHAARO C[NH+](C)C[C@@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@@H](O)c1ccccc1 ZINC000048353523 568441187 /nfs/dbraw/zinc/44/11/87/568441187.db2.gz FLAKRGKWKBOZAI-QUCCMNQESA-N 1 0 410.543 3.843 50 0 HHAARO CCOc1c(Br)cc(C[NH2+]CCc2nnc3n2CCCCC3)cc1OC ZINC000048355321 568441365 /nfs/dbraw/zinc/44/13/65/568441365.db2.gz WWVCBJFXFCTJBE-UHFFFAOYSA-N 1 0 423.355 3.507 50 0 HHAARO Cc1nc2c(cnn2-c2ccc(F)cc2)c(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000048355069 568441427 /nfs/dbraw/zinc/44/14/27/568441427.db2.gz XAIHYNMIVFMAHX-GJZGRUSLSA-N 1 0 412.513 3.563 50 0 HHAARO COC(=O)CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccc(C)cc1)CC(C)C ZINC000048368995 568442213 /nfs/dbraw/zinc/44/22/13/568442213.db2.gz LQYFWCZZOMGVIX-JOCHJYFZSA-N 1 0 402.560 3.783 50 0 HHAARO O=C(Nc1ccccc1)c1ccc(N2CC[C@H]([NH2+]Cc3ccc(F)c(F)c3)C2)nc1 ZINC000049420999 568450457 /nfs/dbraw/zinc/45/04/57/568450457.db2.gz AHTBNZDYUXLCJO-IBGZPJMESA-N 1 0 408.452 3.981 50 0 HHAARO CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000012297058 568462998 /nfs/dbraw/zinc/46/29/98/568462998.db2.gz MCOPMJHEOVPGQW-VQTJNVASSA-N 1 0 401.551 3.706 50 0 biogenic HHAARO O=C(NC1CCCC1)c1ccc(OC2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000014947857 568463615 /nfs/dbraw/zinc/46/36/15/568463615.db2.gz OSQXMHWGPXSOJN-MRXNPFEDSA-N 1 0 406.954 3.892 50 0 HHAARO CCOC(=O)c1sc2cccc(F)c2c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022777083 568499485 /nfs/dbraw/zinc/49/94/85/568499485.db2.gz AVIQOXDRCFCZPU-HNNXBMFYSA-N 1 0 406.523 3.514 50 0 HHAARO Cc1ccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2ccco2)cc1C ZINC000020107749 568588175 /nfs/dbraw/zinc/58/81/75/568588175.db2.gz FDHHSLVFZDPIIW-UHFFFAOYSA-N 1 0 400.592 3.733 50 0 HHAARO COc1cccc(NC(=S)N(CCCN2CC[NH+](C)CC2)Cc2cccs2)c1 ZINC000020107661 568588229 /nfs/dbraw/zinc/58/82/29/568588229.db2.gz ICQQHUDCPZISJJ-UHFFFAOYSA-N 1 0 418.632 3.593 50 0 HHAARO Cc1ccccc1NC(=O)C[N@H+](C)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095448084 568612501 /nfs/dbraw/zinc/61/25/01/568612501.db2.gz ATKYBXRUJYXFFY-UHFFFAOYSA-N 1 0 412.509 3.949 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCCn1c2ccccc2n2cccc2c1=O ZINC000020489784 568614304 /nfs/dbraw/zinc/61/43/04/568614304.db2.gz BSBVVPSRELWKQF-FQEVSTJZSA-N 1 0 422.573 3.805 50 0 HHAARO CCc1ccc(C(=O)CCC(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)cc1 ZINC000095452162 568615145 /nfs/dbraw/zinc/61/51/45/568615145.db2.gz SNVXFOGMDAWUID-UHFFFAOYSA-N 1 0 402.579 3.809 50 0 HHAARO CN(C(=O)CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)c1nccs1 ZINC000096012776 568685128 /nfs/dbraw/zinc/68/51/28/568685128.db2.gz MORQTFKGTOLBHH-GOSISDBHSA-N 1 0 408.518 3.589 50 0 HHAARO O=C(c1ccc2ncnc(N3CCCCC3)c2c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000096399945 568694553 /nfs/dbraw/zinc/69/45/53/568694553.db2.gz HMJARCSMSKZPOE-UHFFFAOYSA-N 1 0 407.562 3.711 50 0 HHAARO CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000227309159 568703660 /nfs/dbraw/zinc/70/36/60/568703660.db2.gz DNLKODGNLMHUES-DJPFJPOOSA-N 1 0 401.869 3.899 50 0 HHAARO CCCC[N@H+](CC)CCCNC(=O)c1cccn1-c1nnc(N2CCCCC2)s1 ZINC000021535453 568711934 /nfs/dbraw/zinc/71/19/34/568711934.db2.gz QZSJRZYHYVKOJN-UHFFFAOYSA-N 1 0 418.611 3.561 50 0 HHAARO O=C(CN1CCCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1Cc1ccccc1 ZINC000229981421 568716215 /nfs/dbraw/zinc/71/62/15/568716215.db2.gz HSNVOWSBKITEMX-PZJWPPBQSA-N 1 0 406.448 3.994 50 0 HHAARO C[C@@H](C(=O)NCc1ccco1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000096287051 568719397 /nfs/dbraw/zinc/71/93/97/568719397.db2.gz PANNZZHCCSBAHB-FQEVSTJZSA-N 1 0 403.526 3.692 50 0 HHAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000239358361 568729032 /nfs/dbraw/zinc/72/90/32/568729032.db2.gz NCPYNQDHIIBZIX-IBPRQYQWSA-N 1 0 404.595 3.656 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)(F)F ZINC000021923037 568760957 /nfs/dbraw/zinc/76/09/57/568760957.db2.gz HPCCKNGWERRKNJ-UHFFFAOYSA-N 1 0 419.451 3.877 50 0 HHAARO O=C(CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cccc(F)c1 ZINC000028900889 568764544 /nfs/dbraw/zinc/76/45/44/568764544.db2.gz LHVROHGACMXYLQ-UHFFFAOYSA-N 1 0 410.415 3.780 50 0 HHAARO Cc1ccc([C@@H](CNC(=O)COc2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1 ZINC000022582551 568770707 /nfs/dbraw/zinc/77/07/07/568770707.db2.gz WVTFHPUYSZVFIV-RUZDIDTESA-N 1 0 417.553 3.632 50 0 HHAARO CCOC(=O)c1c(C)n(CC[NH+]2CCN(c3ccccc3)CC2)c2ccc(OC)cc21 ZINC000055399067 568773533 /nfs/dbraw/zinc/77/35/33/568773533.db2.gz MKRQAHHZCCHZFK-UHFFFAOYSA-N 1 0 421.541 3.957 50 0 HHAARO COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]CCc2ccccc2)cc1 ZINC000002649496 568795883 /nfs/dbraw/zinc/79/58/83/568795883.db2.gz QLTNFLWWOYWKRK-UHFFFAOYSA-N 1 0 403.482 3.718 50 0 HHAARO O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000056896259 568820831 /nfs/dbraw/zinc/82/08/31/568820831.db2.gz YWRYVRRBDUZEOE-HSZRJFAPSA-N 1 0 422.479 3.653 50 0 HHAARO CC(C)C[NH+](CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)CC(C)C ZINC000003007778 568837408 /nfs/dbraw/zinc/83/74/08/568837408.db2.gz UUPRYXJLFJCOJQ-INIZCTEOSA-N 1 0 411.949 3.562 50 0 HHAARO CCCn1c(C[NH2+][C@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012559451 568857152 /nfs/dbraw/zinc/85/71/52/568857152.db2.gz GAMQGVLSWZUWKZ-QGZVFWFLSA-N 1 0 414.575 3.856 50 0 HHAARO Cc1c(C(=O)NCCC[NH+]2CCC(C)CC2)cnn1-c1ccc(Br)cc1 ZINC000030564999 568871553 /nfs/dbraw/zinc/87/15/53/568871553.db2.gz LZFFFJXPJCCZRV-UHFFFAOYSA-N 1 0 419.367 3.795 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(-c4ccccc4F)o3)cn2)CC1 ZINC000012613986 568871900 /nfs/dbraw/zinc/87/19/00/568871900.db2.gz HKFXPRSJFOXVOE-UHFFFAOYSA-N 1 0 408.477 3.804 50 0 HHAARO C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617549 568872119 /nfs/dbraw/zinc/87/21/19/568872119.db2.gz YBMMTGPAAXNDSS-DOTOQJQBSA-N 1 0 423.538 3.909 50 0 HHAARO O=C1c2ccccc2CN1CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299764720 568873640 /nfs/dbraw/zinc/87/36/40/568873640.db2.gz CURWLCKTLFUGSE-BDTNDASRSA-N 1 0 414.509 3.961 50 0 HHAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCCCC3)c(=O)cc21 ZINC000004027144 568878173 /nfs/dbraw/zinc/87/81/73/568878173.db2.gz DAIVFUIGNDSXRM-IBGZPJMESA-N 1 0 424.541 3.937 50 0 biogenic HHAARO COC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000012709803 568917627 /nfs/dbraw/zinc/91/76/27/568917627.db2.gz NBUSYOCFCCUMJP-VWLOTQADSA-N 1 0 422.525 3.610 50 0 HHAARO CCC[NH+](CCC)CCNC(=S)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000003646014 568922229 /nfs/dbraw/zinc/92/22/29/568922229.db2.gz XPKJIMRXSNRCIV-UHFFFAOYSA-N 1 0 415.607 3.531 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000012761772 568945807 /nfs/dbraw/zinc/94/58/07/568945807.db2.gz OXDOIHNXBWZNIW-NRFANRHFSA-N 1 0 415.965 3.733 50 0 HHAARO COCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3nc(-c4cccc(OC)c4)oc3c2)C1 ZINC000012762962 568946667 /nfs/dbraw/zinc/94/66/67/568946667.db2.gz LUDWIZQEBBXWGP-KRWDZBQOSA-N 1 0 423.513 3.592 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000015731288 568981924 /nfs/dbraw/zinc/98/19/24/568981924.db2.gz MVPZTKIJSFINEK-SFHVURJKSA-N 1 0 409.509 3.796 50 0 HHAARO CCOC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107886 568992295 /nfs/dbraw/zinc/99/22/95/568992295.db2.gz AHIUEMBECMBWDH-YLJYHZDGSA-N 1 0 411.550 3.685 50 0 biogenic HHAARO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772837 568998849 /nfs/dbraw/zinc/99/88/49/568998849.db2.gz ZJXXVCJGDPDMCW-UHFFFAOYSA-N 1 0 418.516 3.956 50 0 HHAARO O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008429274 569002709 /nfs/dbraw/zinc/00/27/09/569002709.db2.gz CYEYZJKVEZWPST-UHFFFAOYSA-N 1 0 409.493 3.897 50 0 HHAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787271 569007672 /nfs/dbraw/zinc/00/76/72/569007672.db2.gz UONFCQIMRLZSDH-HSZRJFAPSA-N 1 0 407.558 3.634 50 0 HHAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000012824860 569009022 /nfs/dbraw/zinc/00/90/22/569009022.db2.gz BMVQQXHBBWTTJV-JOCHJYFZSA-N 1 0 411.525 3.867 50 0 HHAARO COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000012850467 569010425 /nfs/dbraw/zinc/01/04/25/569010425.db2.gz GRGMUZFFZHOZOL-HNNXBMFYSA-N 1 0 413.909 3.869 50 0 HHAARO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccccc1C(F)(F)F ZINC000012850496 569010435 /nfs/dbraw/zinc/01/04/35/569010435.db2.gz KGBUOFGSARGENX-CQSZACIVSA-N 1 0 405.420 3.901 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000015862441 569015830 /nfs/dbraw/zinc/01/58/30/569015830.db2.gz YVEVAFCJAQVSJM-KRWDZBQOSA-N 1 0 420.985 3.965 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)Cc1ccccc1 ZINC000012910487 569021511 /nfs/dbraw/zinc/02/15/11/569021511.db2.gz HDZHJBPARLMSJE-OAQYLSRUSA-N 1 0 411.546 3.865 50 0 HHAARO C[NH+]1CCC(C(=O)Nc2ccc3[nH]ccc3c2)(N2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000575443674 569028505 /nfs/dbraw/zinc/02/85/05/569028505.db2.gz YBDXAJUBNWWRNY-NRFANRHFSA-N 1 0 402.498 3.544 50 0 HHAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 ZINC000012941840 569028717 /nfs/dbraw/zinc/02/87/17/569028717.db2.gz YEXNIWZJGOUGCL-QFIPXVFZSA-N 1 0 409.530 3.953 50 0 HHAARO CC[C@H](C(=O)Nc1cccc(OC)c1)[NH+]1CCC(C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000035345636 569033367 /nfs/dbraw/zinc/03/33/67/569033367.db2.gz SOYKFOSHRMINEH-NPPFBWRTSA-N 1 0 415.578 3.629 50 0 HHAARO CCc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1 ZINC000035360364 569033663 /nfs/dbraw/zinc/03/36/63/569033663.db2.gz MIPIVZINQFSHFR-IMQCZEGASA-N 1 0 419.569 3.825 50 0 HHAARO Cn1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)cc2c1c1ccccc1oc2=O ZINC000035396871 569034740 /nfs/dbraw/zinc/03/47/40/569034740.db2.gz DUKJNJJEUZELNS-UHFFFAOYSA-N 1 0 403.482 3.537 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCC[NH+]4CCCCCC4)C3)nn2)cc1 ZINC000035398124 569035045 /nfs/dbraw/zinc/03/50/45/569035045.db2.gz GYLMMQKSRUSTLL-QFIPXVFZSA-N 1 0 421.589 3.661 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000035399205 569035247 /nfs/dbraw/zinc/03/52/47/569035247.db2.gz ZEUYNZQKLXVGRZ-IBGZPJMESA-N 1 0 400.567 3.701 50 0 HHAARO CC1CC[NH+](CCCNC(=O)c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)CC1 ZINC000035454018 569037878 /nfs/dbraw/zinc/03/78/78/569037878.db2.gz YJFGWRQBDUROST-UHFFFAOYSA-N 1 0 421.589 3.986 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3cc(-n4cccc4)nc(C)[nH+]3)CC2)cc1Cl ZINC000090607872 569042092 /nfs/dbraw/zinc/04/20/92/569042092.db2.gz LSVNLAZFWSKVLR-UHFFFAOYSA-N 1 0 410.909 3.892 50 0 HHAARO C[C@@H](CCNC(=O)CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[NH+]1CCCC1 ZINC000035528896 569044135 /nfs/dbraw/zinc/04/41/35/569044135.db2.gz GTDHWCSZXOBEGR-KRWDZBQOSA-N 1 0 420.985 3.965 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC[N@@H+]4CCC[C@@H](C)C4)cc32)c1 ZINC000035560004 569044887 /nfs/dbraw/zinc/04/48/87/569044887.db2.gz HAMFKZCDTWWXPW-GOSISDBHSA-N 1 0 406.530 3.555 50 0 HHAARO O=S(=O)(c1ccccc1F)N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000239619620 569054463 /nfs/dbraw/zinc/05/44/63/569054463.db2.gz BFVNUDSALSSJKX-PZJWPPBQSA-N 1 0 402.535 3.891 50 0 HHAARO O=C([C@H]1CC[C@H](O)CC1)N1CC[C@H](C2CC[NH+](Cc3cccc(F)c3F)CC2)C1 ZINC000240971744 569054605 /nfs/dbraw/zinc/05/46/05/569054605.db2.gz UCCFHIDCRPXHGE-BJLQDIEVSA-N 1 0 406.517 3.576 50 0 HHAARO Cc1nnc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)[nH]1 ZINC000426518329 569073234 /nfs/dbraw/zinc/07/32/34/569073234.db2.gz NGAFXTWLHXTFEP-XMMPIXPASA-N 1 0 409.578 3.684 50 0 HHAARO O=C(c1ccc2n[nH]nc2c1)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000426599505 569073604 /nfs/dbraw/zinc/07/36/04/569073604.db2.gz GBDKTBXCBIXLRO-DEOSSOPVSA-N 1 0 403.530 3.519 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 ZINC000006654239 569082759 /nfs/dbraw/zinc/08/27/59/569082759.db2.gz PSGKARNVNMROKP-UHFFFAOYSA-N 1 0 410.514 3.691 50 0 HHAARO COc1cccc(C[N@@H+](Cc2ccccc2)C[C@H](O)COCc2ccco2)c1OC ZINC000036103637 569092415 /nfs/dbraw/zinc/09/24/15/569092415.db2.gz NWDIHKQJEHSWQA-NRFANRHFSA-N 1 0 411.498 3.877 50 0 HHAARO O[C@@H](COCc1ccco1)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1 ZINC000036147643 569098553 /nfs/dbraw/zinc/09/85/53/569098553.db2.gz MEBPLAYPCJMECK-LJQANCHMSA-N 1 0 423.469 3.545 50 0 HHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146236 569098633 /nfs/dbraw/zinc/09/86/33/569098633.db2.gz RWTSNIIHWPDSRX-RTWAWAEBSA-N 1 0 414.521 3.854 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@@H](O)C[NH2+][C@H](C)c3ccccc3)cc21 ZINC000006732829 569104012 /nfs/dbraw/zinc/10/40/12/569104012.db2.gz UOVFGADLIZZKCT-APWZRJJASA-N 1 0 410.514 3.754 50 0 HHAARO COc1ccc(-c2noc(-c3ccc(N4CC[NH+](C5CCCCC5)CC4)nn3)n2)cc1 ZINC000064837944 569106097 /nfs/dbraw/zinc/10/60/97/569106097.db2.gz NGXSHWZCHJKNDA-UHFFFAOYSA-N 1 0 420.517 3.657 50 0 HHAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 ZINC000006760630 569113498 /nfs/dbraw/zinc/11/34/98/569113498.db2.gz YAPYJJNNVVFVII-UHFFFAOYSA-N 1 0 421.530 3.691 50 0 HHAARO CCN(CC)c1nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)nc(C)c1C ZINC000006801947 569129673 /nfs/dbraw/zinc/12/96/73/569129673.db2.gz JWMRFRZMTRXAJJ-UHFFFAOYSA-N 1 0 415.607 3.523 50 0 HHAARO CC(C)C(=O)N(Cc1c(-c2ccc(F)cc2)noc1N1CCN(C)CC1)C(C)C ZINC000036312122 569132719 /nfs/dbraw/zinc/13/27/19/569132719.db2.gz YUFYCYKSYJVKLX-UHFFFAOYSA-N 1 0 402.514 3.626 50 0 HHAARO Cn1nc(C(=O)NCC[N@H+](Cc2ccco2)C2CCCC2)c2c1-c1ccccc1OC2 ZINC000006817541 569138170 /nfs/dbraw/zinc/13/81/70/569138170.db2.gz CKMUAGHMJQRQQV-UHFFFAOYSA-N 1 0 420.513 3.747 50 0 HHAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccc(F)cc2)CC1 ZINC000036340799 569141483 /nfs/dbraw/zinc/14/14/83/569141483.db2.gz VPISIIBXDVHUJC-OAQYLSRUSA-N 1 0 414.569 3.750 50 0 HHAARO CC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)CC1 ZINC000036340459 569141706 /nfs/dbraw/zinc/14/17/06/569141706.db2.gz KXUUGFXANVSBBF-QHCPKHFHSA-N 1 0 416.569 3.936 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(-c2ccc(N3CCCC3)nn2)cc1 ZINC000064989192 569145853 /nfs/dbraw/zinc/14/58/53/569145853.db2.gz ISEFKLILZCHDTP-IBGZPJMESA-N 1 0 407.562 3.738 50 0 HHAARO O=C(NCC[NH+]1CCCCC1)c1ccc(-c2ccc(NCc3ccccc3)nn2)cc1 ZINC000064989267 569145876 /nfs/dbraw/zinc/14/58/76/569145876.db2.gz PNJOLNKJSBXHQK-UHFFFAOYSA-N 1 0 415.541 3.971 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@H](c2ccccc2)C1 ZINC000036398584 569171555 /nfs/dbraw/zinc/17/15/55/569171555.db2.gz YEAOBLKYVJVGHI-FQEVSTJZSA-N 1 0 407.892 3.727 50 0 HHAARO CCN(CC)c1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2nc(C)cc(C)c21 ZINC000065232098 569201284 /nfs/dbraw/zinc/20/12/84/569201284.db2.gz GHIQUCLWVJNESY-UHFFFAOYSA-N 1 0 424.593 3.578 50 0 HHAARO COc1cccc(-n2cnnc2SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000007020270 569202097 /nfs/dbraw/zinc/20/20/97/569202097.db2.gz UQOXFJQATUPWKC-UHFFFAOYSA-N 1 0 423.542 3.603 50 0 HHAARO CCN1c2ccc(C(=O)N3CC[NH+](CC(C)C)CC3)cc2Sc2ncccc2C1=O ZINC000065241371 569204028 /nfs/dbraw/zinc/20/40/28/569204028.db2.gz DMKAIEJJHMLNQG-UHFFFAOYSA-N 1 0 424.570 3.627 50 0 HHAARO O=C(NCc1ccc(Cl)cc1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255945 569208050 /nfs/dbraw/zinc/20/80/50/569208050.db2.gz LLKCYPYOONPQRF-NRFANRHFSA-N 1 0 406.917 3.816 50 0 HHAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1OCC(=O)NCCc1ccccc1 ZINC000036611769 569208906 /nfs/dbraw/zinc/20/89/06/569208906.db2.gz BADATMYYTAXCSY-UHFFFAOYSA-N 1 0 418.537 3.765 50 0 HHAARO COc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(F)(F)F)cc(OC)c1 ZINC000170614518 569247134 /nfs/dbraw/zinc/24/71/34/569247134.db2.gz NYQFFWVOAXLMOK-OALUTQOASA-N 1 0 408.420 3.953 50 0 HHAARO C[N@H+](CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1)Cc1ccccc1 ZINC000010089042 569253243 /nfs/dbraw/zinc/25/32/43/569253243.db2.gz XSEXSIGEDFEVEA-UHFFFAOYSA-N 1 0 422.554 3.576 50 0 HHAARO COc1cn(CC(=O)Nc2ccc(Cl)cc2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974470 569269675 /nfs/dbraw/zinc/26/96/75/569269675.db2.gz ZDVFZDGLQRTINC-UHFFFAOYSA-N 1 0 403.910 3.525 50 0 HHAARO O=c1[nH]c(CN(Cc2cccc3cccnc32)C[C@@H]2CCCO2)nc2ccccc21 ZINC000054619036 569292423 /nfs/dbraw/zinc/29/24/23/569292423.db2.gz NJYCJGOWJHDFPE-IBGZPJMESA-N 1 0 400.482 3.653 50 0 HHAARO C[NH+](C)C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000007817524 569312850 /nfs/dbraw/zinc/31/28/50/569312850.db2.gz POWMXYORZGMPOL-OAQYLSRUSA-N 1 0 413.949 3.611 50 0 HHAARO Cc1scc2nc(C(=O)N3CC[NH+](C4CCCCC4)CC3)nc(N3CCCC3)c12 ZINC000065283202 569364108 /nfs/dbraw/zinc/36/41/08/569364108.db2.gz WHGIZXKMWDRJHR-UHFFFAOYSA-N 1 0 413.591 3.690 50 0 HHAARO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C)C2=O)c(C)c1 ZINC000253429219 569368793 /nfs/dbraw/zinc/36/87/93/569368793.db2.gz MKESYZTUMLPMOO-UFYCRDLUSA-N 1 0 415.578 3.952 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccc(CN2CCCC2=O)c1 ZINC000007941542 569401898 /nfs/dbraw/zinc/40/18/98/569401898.db2.gz CTXZVAVJSYABME-UHFFFAOYSA-N 1 0 405.542 3.725 50 0 HHAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC4=CCCCC4)[C@H]3C[C@@]21O ZINC000012661888 569402742 /nfs/dbraw/zinc/40/27/42/569402742.db2.gz PXZKKURWIUHBFW-AEQYPJFUSA-N 1 0 405.579 3.745 50 0 biogenic HHAARO O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012811366 569403790 /nfs/dbraw/zinc/40/37/90/569403790.db2.gz XFXVSRIMEZAMTE-UXZSZYKQSA-N 1 0 403.526 3.780 50 0 HHAARO CCc1[nH]c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c(C)c1C(=O)OC ZINC000328591653 569415055 /nfs/dbraw/zinc/41/50/55/569415055.db2.gz GNOUXKGRBFBCQD-INIZCTEOSA-N 1 0 417.575 3.636 50 0 HHAARO COc1ccc(C[NH+]2CCC(NC(=O)c3cccc4c3ccn4C)CC2)cc1OC ZINC000079478118 569431617 /nfs/dbraw/zinc/43/16/17/569431617.db2.gz JAKIDGDDURJFGY-UHFFFAOYSA-N 1 0 407.514 3.590 50 0 HHAARO COc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008549530 571078081 /nfs/dbraw/zinc/07/80/81/571078081.db2.gz KFNSIXGYIONWMI-OAQYLSRUSA-N 1 0 406.482 3.525 50 0 HHAARO Cc1c(C(=O)NCC[NH+](C)C)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 ZINC000008588580 571084556 /nfs/dbraw/zinc/08/45/56/571084556.db2.gz WKZLOCHEGJRJRP-UHFFFAOYSA-N 1 0 412.921 3.543 50 0 HHAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCCCC2)n3C)c1 ZINC000008656841 571098836 /nfs/dbraw/zinc/09/88/36/571098836.db2.gz NLWVXNVTEUIXIJ-UHFFFAOYSA-N 1 0 406.530 3.928 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000040088706 571158904 /nfs/dbraw/zinc/15/89/04/571158904.db2.gz RLJLKHFHYBZLCN-UHFFFAOYSA-N 1 0 410.493 3.804 50 0 HHAARO CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000040156446 571203459 /nfs/dbraw/zinc/20/34/59/571203459.db2.gz HARZTEAIRXPEDL-WMZHIEFXSA-N 1 0 409.574 3.988 50 0 HHAARO Cc1ccc([C@@H](C)NC(=O)CN2CCc3ccccc3[C@H]2C(=O)N2CCCC2)c(C)c1 ZINC000245237898 571219435 /nfs/dbraw/zinc/21/94/35/571219435.db2.gz GLRVVZPGYJKNEX-NLFFAJNJSA-N 1 0 419.569 3.702 50 0 HHAARO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352134 571222878 /nfs/dbraw/zinc/22/28/78/571222878.db2.gz MXIACQKIYDHCLK-CRAIPNDOSA-N 1 0 402.336 3.934 50 0 HHAARO CC1=C(C(=O)Nc2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)cc2)SCCO1 ZINC000009115276 571224195 /nfs/dbraw/zinc/22/41/95/571224195.db2.gz MDIABGCDXNQEAE-MRXNPFEDSA-N 1 0 417.575 3.614 50 0 HHAARO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2cccc(F)c2)C3)c1C ZINC000069656420 571236972 /nfs/dbraw/zinc/23/69/72/571236972.db2.gz GWMBZVPGFRLXLJ-INIZCTEOSA-N 1 0 421.520 3.801 50 0 HHAARO COC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c1 ZINC000009513312 571264482 /nfs/dbraw/zinc/26/44/82/571264482.db2.gz UFNSBUCSEMSOOD-JOCHJYFZSA-N 1 0 405.494 3.934 50 0 HHAARO Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010333884 571300598 /nfs/dbraw/zinc/30/05/98/571300598.db2.gz SCCCVKOCEXDJGT-DEOSSOPVSA-N 1 0 415.537 3.718 50 0 HHAARO COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1 ZINC000010334196 571300864 /nfs/dbraw/zinc/30/08/64/571300864.db2.gz FOYIGQDNKVGXQK-QFIPXVFZSA-N 1 0 417.509 3.740 50 0 HHAARO COc1cc2c(cc1OC)C[N@H+](C[C@H](O)COCC13CC4CC(CC(C4)C1)C3)CC2 ZINC000010384065 571301739 /nfs/dbraw/zinc/30/17/39/571301739.db2.gz OQELHBPUHZQENY-KIZRYQFWSA-N 1 0 415.574 3.656 50 0 HHAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C(F)(F)F)nc1C ZINC000095349388 571307515 /nfs/dbraw/zinc/30/75/15/571307515.db2.gz NVKDIWLSSLFNME-UHFFFAOYSA-N 1 0 419.451 4.353 50 0 HHAARO CC[NH+]1CCN([C@H](c2ccc(C)cc2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098298 571314787 /nfs/dbraw/zinc/31/47/87/571314787.db2.gz LNGFFJDPZYEZGH-XMMPIXPASA-N 1 0 421.541 3.539 50 0 aggregator HHAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036344412 571317436 /nfs/dbraw/zinc/31/74/36/571317436.db2.gz ILJBWGBJVXRBET-OAQYLSRUSA-N 1 0 405.498 3.825 50 0 HHAARO Cc1cccc(C[NH2+]Cc2cc(NS(C)(=O)=O)cc(C(=O)Nc3ccccc3)c2)c1 ZINC000011785289 962190679 /nfs/dbraw/zinc/19/06/79/962190679.db2.gz NEBSGBUXNQQNOE-UHFFFAOYSA-N 1 0 423.538 3.909 50 0 HHAARO CCS(=O)(=O)N1CCC(Oc2cccc(C[N@H+](C)Cc3ccsc3)c2)CC1 ZINC000011839971 962201013 /nfs/dbraw/zinc/20/10/13/962201013.db2.gz YUSYSBIWONFCRY-UHFFFAOYSA-N 1 0 408.589 3.573 50 0 HHAARO CCCn1cc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1 ZINC000011874150 962205139 /nfs/dbraw/zinc/20/51/39/962205139.db2.gz XMYPAZHFDXHTBW-UHFFFAOYSA-N 1 0 410.562 3.881 50 0 HHAARO CCc1ccc(C[NH+]2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 ZINC000011910444 962207606 /nfs/dbraw/zinc/20/76/06/962207606.db2.gz ZQVCAKGAJFDZNQ-RUZDIDTESA-N 1 0 405.542 3.672 50 0 HHAARO COc1ccccc1NC(=O)[C@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000012049226 962228206 /nfs/dbraw/zinc/22/82/06/962228206.db2.gz YNHMECKPTMSESA-LJQANCHMSA-N 1 0 417.509 3.778 50 0 HHAARO Cc1cccc(N2CC[NH+]([C@H]3CCC(=O)N(Cc4ccccc4Cl)CC3)CC2)n1 ZINC000012050790 962228226 /nfs/dbraw/zinc/22/82/26/962228226.db2.gz YPILWXQKKXTHTP-FQEVSTJZSA-N 1 0 412.965 3.747 50 0 HHAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC([C@]3(CCc4ccccc4)NC(=O)NC3=O)CC1)=CC2 ZINC000012134273 962245294 /nfs/dbraw/zinc/24/52/94/962245294.db2.gz VAALVFIVNDOGBE-MCEYFSPLSA-N 1 0 421.585 3.902 50 0 HHAARO O=C1NC(=O)[C@](CCc2ccccc2)(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)N1 ZINC000012149213 962246509 /nfs/dbraw/zinc/24/65/09/962246509.db2.gz DSRAUTYFPBUNQO-VWLOTQADSA-N 1 0 416.525 3.591 50 0 HHAARO C/C=C(\C)C[NH+]1CCN(c2cccc3c2C(=O)N([C@@H](C)c2nccs2)C3=O)CC1 ZINC000012191130 962250786 /nfs/dbraw/zinc/25/07/86/962250786.db2.gz RJKDTSKGNWOJSD-MRJCOXNESA-N 1 0 410.543 3.589 50 0 HHAARO O=C(c1ccco1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)C[C@H]1CCCO1 ZINC000012210124 962253837 /nfs/dbraw/zinc/25/38/37/962253837.db2.gz GLYZFWSCPRCOSF-JOCHJYFZSA-N 1 0 412.530 3.966 50 0 HHAARO CSc1ccc(C[NH+]2CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC2)cc1 ZINC000012244352 962257683 /nfs/dbraw/zinc/25/76/83/962257683.db2.gz LAPNXSBFDOUNRS-XMMPIXPASA-N 1 0 423.582 3.832 50 0 HHAARO O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(=O)N(CC[NH+]2CCCCC2)CC1 ZINC000012279742 962266701 /nfs/dbraw/zinc/26/67/01/962266701.db2.gz ZHIUJSBWMCEQST-UHFFFAOYSA-N 1 0 423.532 3.653 50 0 HHAARO O=C(N[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000012387675 962273760 /nfs/dbraw/zinc/27/37/60/962273760.db2.gz ZPQVSJOYNOMZIT-QGZVFWFLSA-N 1 0 410.484 3.594 50 0 HHAARO CN(C)Cc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3F)CC2)o1 ZINC000012386508 962274044 /nfs/dbraw/zinc/27/40/44/962274044.db2.gz GGPGBNFUVKOVOO-UHFFFAOYSA-N 1 0 401.526 3.507 50 0 HHAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)cc2)c1 ZINC000012432422 962278741 /nfs/dbraw/zinc/27/87/41/962278741.db2.gz URCXIXFRWQEYRK-OAQYLSRUSA-N 1 0 404.514 3.946 50 0 HHAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012431151 962279695 /nfs/dbraw/zinc/27/96/95/962279695.db2.gz COXYVKGMEWBGST-NRFANRHFSA-N 1 0 400.526 3.999 50 0 HHAARO CCCCn1c(CN(C)CC[C@H](C)[NH+]2CCCC2)cnc1S(=O)(=O)CC1CCC1 ZINC000012445481 962280818 /nfs/dbraw/zinc/28/08/18/962280818.db2.gz NPYGAIVRFLYIHX-IBGZPJMESA-N 1 0 424.655 3.563 50 0 HHAARO CCn1nc(C)c(C[NH2+]Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)c1C ZINC000012445467 962280901 /nfs/dbraw/zinc/28/09/01/962280901.db2.gz PJFFKJVGHCTBES-UHFFFAOYSA-N 1 0 422.577 3.782 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000012497009 962289498 /nfs/dbraw/zinc/28/94/98/962289498.db2.gz UZHWCMAGQNDQDI-WUXMJOGZSA-N 1 0 410.470 3.566 50 0 HHAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CCc2nnc(CCCCc3ccccc3)o2)C1 ZINC000012571938 962293295 /nfs/dbraw/zinc/29/32/95/962293295.db2.gz QYEKTTLOOHVOEH-NRFANRHFSA-N 1 0 412.578 3.804 50 0 HHAARO COc1ncc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(C(C)C)cc2)C3)cn1 ZINC000012596615 962299465 /nfs/dbraw/zinc/29/94/65/962299465.db2.gz OBSPHOBRTDVXET-DEOSSOPVSA-N 1 0 408.546 3.737 50 0 HHAARO CN(C)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)o1 ZINC000012711712 962316893 /nfs/dbraw/zinc/31/68/93/962316893.db2.gz KWVLHJICAZCAIZ-LJQANCHMSA-N 1 0 401.526 3.507 50 0 HHAARO O=C1C[N@@H+](C2Cc3ccccc3C2)C[C@H](OCc2ccccn2)CN1C1CCCCC1 ZINC000014531591 962524740 /nfs/dbraw/zinc/52/47/40/962524740.db2.gz XDDPWSDYICWHCV-VWLOTQADSA-N 1 0 419.569 3.611 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014741611 962566710 /nfs/dbraw/zinc/56/67/10/962566710.db2.gz BLMVWKQXQZGSPX-SFHVURJKSA-N 1 0 400.592 3.970 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1OC)C2 ZINC000014754794 962569429 /nfs/dbraw/zinc/56/94/29/962569429.db2.gz DRMNGJMLPYOREK-LJQANCHMSA-N 1 0 410.562 3.575 50 0 HHAARO O=C1CC[N@@H+](Cc2ccc3c(c2)OCCO3)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000014964536 962615084 /nfs/dbraw/zinc/61/50/84/962615084.db2.gz SYCWKMFRDWCJJM-UHFFFAOYSA-N 1 0 420.431 3.711 50 0 HHAARO C[C@H](C1CCN(C(=O)CN2Cc3cc(Cl)ccc3O[C@H](C)C2)CC1)[NH+]1CCCC1 ZINC000014967638 962615220 /nfs/dbraw/zinc/61/52/20/962615220.db2.gz PAVVRHKDIDMNTM-QZTJIDSGSA-N 1 0 419.997 3.646 50 0 HHAARO O=C(NCCc1c[nH]cn1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000015066460 962645404 /nfs/dbraw/zinc/64/54/04/962645404.db2.gz PJYHOCACRSGDRH-UHFFFAOYSA-N 1 0 416.953 3.821 50 0 HHAARO COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)[NH+](C)C)c1 ZINC000018017002 963251822 /nfs/dbraw/zinc/25/18/22/963251822.db2.gz FIVCEQWLRKACKK-HXUWFJFHSA-N 1 0 407.470 3.573 50 0 HHAARO Cc1n[nH]cc1C(=O)N(C)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1 ZINC000019147538 963350564 /nfs/dbraw/zinc/35/05/64/963350564.db2.gz DCUHLWPRUKGXDF-UHFFFAOYSA-N 1 0 408.468 3.764 50 0 HHAARO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]3)C2)CC1 ZINC000019794471 963374716 /nfs/dbraw/zinc/37/47/16/963374716.db2.gz PCMMFBHSYMOATD-JOCHJYFZSA-N 1 0 404.558 3.963 50 0 HHAARO COCc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)o1 ZINC000019836697 963375383 /nfs/dbraw/zinc/37/53/83/963375383.db2.gz JTFODVSMNAUHED-IBGZPJMESA-N 1 0 402.535 3.582 50 0 HHAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000020451610 963389527 /nfs/dbraw/zinc/38/95/27/963389527.db2.gz XLIYSNUWNKLAHT-CTNGQTDRSA-N 1 0 421.919 3.876 50 0 HHAARO Cc1cccc(-c2ncc(CN3CC[N@H+](CC4CCCCC4)[C@@H](CCO)C3)cn2)c1 ZINC000020539132 963389652 /nfs/dbraw/zinc/38/96/52/963389652.db2.gz QXTPQLJPPBBABF-DEOSSOPVSA-N 1 0 408.590 3.901 50 0 HHAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2C)CN1Cc1ccccc1 ZINC000020905862 963403399 /nfs/dbraw/zinc/40/33/99/963403399.db2.gz NNWUDDGGBVTEQO-RPWUZVMVSA-N 1 0 423.601 3.913 50 0 HHAARO O=C(c1ccncc1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779207 970479635 /nfs/dbraw/zinc/47/96/35/970479635.db2.gz ZNVXZGACTCXWII-QHCPKHFHSA-N 1 0 405.542 3.900 50 0 HHAARO C[NH+](C)CC1(O)CCC2(CCN(C(=O)CCc3nc4ccccc4s3)CC2)CC1 ZINC000169785256 970481975 /nfs/dbraw/zinc/48/19/75/970481975.db2.gz JPCYCHKBFGUNGF-UHFFFAOYSA-N 1 0 415.603 3.704 50 0 HHAARO O=C(NC[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2)N1CCCC1 ZINC000257174129 970616132 /nfs/dbraw/zinc/61/61/32/970616132.db2.gz CNIUSILFQKTRKW-KRWDZBQOSA-N 1 0 409.933 3.513 50 0 HHAARO O=C(c1cccnc1)N1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2ccccc2)CC1 ZINC000257188274 970622107 /nfs/dbraw/zinc/62/21/07/970622107.db2.gz FABJQUVSEXBIBU-HSZRJFAPSA-N 1 0 415.541 3.778 50 0 HHAARO CC[NH+](CC)CCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O ZINC000004712678 132285566 /nfs/dbraw/zinc/28/55/66/132285566.db2.gz ULAJHTURLASJTQ-PGMHBOJBSA-N 1 0 409.555 3.624 50 0 HHAARO CC(C)[N@H+](CCCNC(=O)CCC(=O)N1CCOc2ccccc21)Cc1ccccc1 ZINC000006798521 132317271 /nfs/dbraw/zinc/31/72/71/132317271.db2.gz AHEZUTXHBLQRIK-UHFFFAOYSA-N 1 0 423.557 3.609 50 0 HHAARO CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cc[nH+]cc3)C2=O)cc1 ZINC000006822793 132318077 /nfs/dbraw/zinc/31/80/77/132318077.db2.gz VUJRNZDUBCKTEC-QNGOZBTKSA-N 1 0 413.433 3.898 50 0 HHAARO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000008097935 132327488 /nfs/dbraw/zinc/32/74/88/132327488.db2.gz YHTQZKZGVDNLRM-UHFFFAOYSA-N 1 0 409.493 3.897 50 0 HHAARO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 ZINC000012455938 132360880 /nfs/dbraw/zinc/36/08/80/132360880.db2.gz OCDZWKQZXMPSGF-KRWDZBQOSA-N 1 0 421.570 3.980 50 0 HHAARO Cc1ccnc(N2CCC(C(=O)Nc3ccc(C[NH+]4CCC(C)CC4)cc3)CC2)n1 ZINC000035454467 132802048 /nfs/dbraw/zinc/80/20/48/132802048.db2.gz PRPDTUCYJUDHIZ-UHFFFAOYSA-N 1 0 407.562 3.872 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc3ccccc3c(=O)n2Cc2ccccc2)C1 ZINC000023817427 519729968 /nfs/dbraw/zinc/72/99/68/519729968.db2.gz HAMQRFXQEGSFDN-HXUWFJFHSA-N 1 0 423.582 3.894 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000032769505 519820371 /nfs/dbraw/zinc/82/03/71/519820371.db2.gz HNALXWMRBDUHPY-QFIPXVFZSA-N 1 0 411.546 3.582 50 0 HHAARO CC(C)c1noc(-c2ccc(OCC(=O)N3CCC([NH+]4CCCCC4)CC3)cc2)n1 ZINC000032579040 519898626 /nfs/dbraw/zinc/89/86/26/519898626.db2.gz LLJXLHJDAQMOFP-UHFFFAOYSA-N 1 0 412.534 3.716 50 0 HHAARO CC[NH+](CC)CCOc1ccc(CNS(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000058897662 520698636 /nfs/dbraw/zinc/69/86/36/520698636.db2.gz NVRCGCYBTXZITN-UHFFFAOYSA-N 1 0 414.571 3.814 50 0 HHAARO CCC(=O)N1CCc2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000044958781 521155220 /nfs/dbraw/zinc/15/52/20/521155220.db2.gz CRMCZQOCGYRAFP-UHFFFAOYSA-N 1 0 405.542 3.902 50 0 HHAARO CCN(C[C@H]1COc2ccccc2O1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000032779365 521273284 /nfs/dbraw/zinc/27/32/84/521273284.db2.gz FCHDMZWQBGCHSY-NRFANRHFSA-N 1 0 409.530 3.523 50 0 HHAARO C[N@H+](CCCNC(=O)CC1CCN(C(=O)C2CCCCC2)CC1)C1CCCCC1 ZINC000032974398 522756342 /nfs/dbraw/zinc/75/63/42/522756342.db2.gz MBXMFQDQMYQIHA-UHFFFAOYSA-N 1 0 405.627 3.966 50 0 HHAARO C[N@H+](C[C@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000032686449 523098283 /nfs/dbraw/zinc/09/82/83/523098283.db2.gz HCPYGECYHALWDB-XZOQPEGZSA-N 1 0 419.521 3.925 50 0 HHAARO Cc1ccccc1C(=O)Nc1nc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cs1 ZINC000040355380 525065788 /nfs/dbraw/zinc/06/57/88/525065788.db2.gz MEPMCOKDTGRWBL-INIZCTEOSA-N 1 0 400.548 3.698 50 0 HHAARO Cc1cnc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@@H+](C3CCCCC3)C2)cn1 ZINC000020572555 525966535 /nfs/dbraw/zinc/96/65/35/525966535.db2.gz YJSORYBZJBHPMQ-OAQYLSRUSA-N 1 0 407.562 3.867 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CCCNC(=O)c1ccsc1 ZINC000032930743 526251462 /nfs/dbraw/zinc/25/14/62/526251462.db2.gz IECOWGCCERPYCU-SFHVURJKSA-N 1 0 413.587 3.949 50 0 HHAARO O=C1[C@H]2[C@@H]3CCC[N@@H+]3[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccccc1 ZINC000043732501 527118280 /nfs/dbraw/zinc/11/82/80/527118280.db2.gz XRJIPHKFTHOBFC-CADBVGFASA-N 1 0 411.299 3.774 50 0 HHAARO COc1ccccc1[N+]1=C2CCCCCN2C[C@@]1(O)c1ccc(OC(F)F)cc1 ZINC000002387578 557343165 /nfs/dbraw/zinc/34/31/65/557343165.db2.gz GQNSAXVQPKHBSN-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000004337778 557543698 /nfs/dbraw/zinc/54/36/98/557543698.db2.gz KEHYODJCAYVNGX-LJQANCHMSA-N 1 0 412.873 3.562 50 0 HHAARO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004679800 557580387 /nfs/dbraw/zinc/58/03/87/557580387.db2.gz KHQBLGXKDHEXLY-QPJJXVBHSA-N 1 0 421.560 3.895 50 0 HHAARO CCOc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)ccc1O ZINC000006595538 557709560 /nfs/dbraw/zinc/70/95/60/557709560.db2.gz PDAZFXFBRWBLOP-UHFFFAOYSA-N 1 0 402.922 3.973 50 0 HHAARO Brc1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1 ZINC000006767731 557720474 /nfs/dbraw/zinc/72/04/74/557720474.db2.gz VUXPLGGOFCONCK-UHFFFAOYSA-N 1 0 404.337 3.697 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000008654589 557798865 /nfs/dbraw/zinc/79/88/65/557798865.db2.gz PCFAAKWHZFXLIF-UHFFFAOYSA-N 1 0 421.929 3.854 50 0 HHAARO Cc1ccc([C@H]2[NH+]=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 ZINC000009936911 557851926 /nfs/dbraw/zinc/85/19/26/557851926.db2.gz YMQNPZFCWGMKDX-QFIPXVFZSA-N 1 0 412.497 3.502 50 0 HHAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)C2)CC1 ZINC000011772413 558274569 /nfs/dbraw/zinc/27/45/69/558274569.db2.gz TVKMSMUZINAGJT-AWEZNQCLSA-N 1 0 403.876 3.647 50 0 HHAARO Cc1c(C[NH2+]Cc2cc3cc(C)ccc3n(Cc3ccccc3C)c2=O)cnn1C ZINC000011782942 558275004 /nfs/dbraw/zinc/27/50/04/558275004.db2.gz MJINAAVVAZJORJ-UHFFFAOYSA-N 1 0 400.526 3.998 50 0 HHAARO COc1ccc(/C=C/C(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1OC ZINC000011815886 558279496 /nfs/dbraw/zinc/27/94/96/558279496.db2.gz KLOLXUPXDLHSIL-UFSNDUKISA-N 1 0 420.553 3.807 50 0 HHAARO C[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000019796763 558284538 /nfs/dbraw/zinc/28/45/38/558284538.db2.gz YVBQYMYNFVJQBD-OAQYLSRUSA-N 1 0 424.932 3.714 50 0 HHAARO CC[N@@H+](Cc1ccccc1OCCO)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011878512 558293132 /nfs/dbraw/zinc/29/31/32/558293132.db2.gz JGHVJTJCBLHBRE-QFIPXVFZSA-N 1 0 414.565 3.973 50 0 HHAARO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000011933115 558297937 /nfs/dbraw/zinc/29/79/37/558297937.db2.gz QXJOMRDUOSLBQX-LJQANCHMSA-N 1 0 403.542 3.967 50 0 HHAARO Cc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3cccc(F)c3)C[C@@H]2CCO)cc1 ZINC000019865462 558298777 /nfs/dbraw/zinc/29/87/77/558298777.db2.gz PZCSKNDBULZYLA-QHCPKHFHSA-N 1 0 408.521 3.593 50 0 HHAARO COC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(C(=O)N4CCCC4)c3)CC2)cc1 ZINC000011958607 558303848 /nfs/dbraw/zinc/30/38/48/558303848.db2.gz VXNPRJZJZLBVBD-UHFFFAOYSA-N 1 0 422.525 3.753 50 0 HHAARO CSc1ccccc1C(=O)NC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1 ZINC000011967531 558304542 /nfs/dbraw/zinc/30/45/42/558304542.db2.gz JWSBWKAMJHMGIE-IBGZPJMESA-N 1 0 411.571 3.747 50 0 HHAARO O[C@@H](COc1ccc(OCc2ccccc2)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019898677 558304645 /nfs/dbraw/zinc/30/46/45/558304645.db2.gz LEQITQQPXXNOSW-XMMPIXPASA-N 1 0 418.537 3.828 50 0 HHAARO O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@@H]([NH2+]CCc1ccccn1)CC3 ZINC000011981013 558306006 /nfs/dbraw/zinc/30/60/06/558306006.db2.gz MQCJXOALGNPFKS-IBGZPJMESA-N 1 0 416.550 3.591 50 0 HHAARO CCOC(=O)c1cnn(-c2cc(=O)n(C)c3ccccc23)c1C[NH2+]CC1CCCCC1 ZINC000011979860 558306026 /nfs/dbraw/zinc/30/60/26/558306026.db2.gz DGDWCXTXGHIULQ-UHFFFAOYSA-N 1 0 422.529 3.571 50 0 HHAARO O=c1c2c3c(sc2ncn1Cc1ccccc1)C[C@H]([NH2+]CCc1ccccn1)CC3 ZINC000011981018 558306052 /nfs/dbraw/zinc/30/60/52/558306052.db2.gz MQCJXOALGNPFKS-LJQANCHMSA-N 1 0 416.550 3.591 50 0 HHAARO COC[C@@H]1CCN(C(=O)c2cc(OC)ccc2OC2CC[NH+](C3CCCC3)CC2)C1 ZINC000012005554 558309200 /nfs/dbraw/zinc/30/92/00/558309200.db2.gz JZPPHABFXOOMMU-GOSISDBHSA-N 1 0 416.562 3.590 50 0 HHAARO COc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)NCCc3ccccc3)CC2)c(OC)c1C ZINC000012055921 558315950 /nfs/dbraw/zinc/31/59/50/558315950.db2.gz NDDVSGZNOFDRNH-QFIPXVFZSA-N 1 0 422.569 3.973 50 0 HHAARO Cc1nc(CN(C)Cc2cccc(OC[C@@H](O)C[NH+]3CCCCCC3)c2)cs1 ZINC000012090859 558324205 /nfs/dbraw/zinc/32/42/05/558324205.db2.gz QOMFGLIOHUMGQS-NRFANRHFSA-N 1 0 403.592 3.699 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccc2nccnc2c1 ZINC000012192668 558348071 /nfs/dbraw/zinc/34/80/71/558348071.db2.gz HSVDMBYPYUTLGV-GOSISDBHSA-N 1 0 406.505 3.796 50 0 HHAARO COc1cccc(C[C@]2(CO)CCC[N@H+](Cc3cc(F)ccc3-n3cccn3)C2)c1 ZINC000012201340 558351446 /nfs/dbraw/zinc/35/14/46/558351446.db2.gz PZOHQFFSBCHYAH-XMMPIXPASA-N 1 0 409.505 3.837 50 0 HHAARO c1cnn(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)c1 ZINC000012206097 558352842 /nfs/dbraw/zinc/35/28/42/558352842.db2.gz CMUJTXAHQFALDU-UHFFFAOYSA-N 1 0 401.470 3.644 50 0 HHAARO CCc1c(C(=O)N(C)Cc2cccs2)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000012212311 558354141 /nfs/dbraw/zinc/35/41/41/558354141.db2.gz AAHSFIHJQPQPJV-QGZVFWFLSA-N 1 0 401.576 3.537 50 0 HHAARO CC[NH+](CC)CCNCc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1 ZINC000020406715 558360184 /nfs/dbraw/zinc/36/01/84/558360184.db2.gz CIPZRTXPJXIRJV-UHFFFAOYSA-N 1 0 419.953 3.798 50 0 HHAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000012300378 558370369 /nfs/dbraw/zinc/37/03/69/558370369.db2.gz XGXGZXMWRAAVEI-HSZRJFAPSA-N 1 0 424.589 3.570 50 0 HHAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)n(C)n1 ZINC000012300374 558370390 /nfs/dbraw/zinc/37/03/90/558370390.db2.gz XGXGZXMWRAAVEI-QHCPKHFHSA-N 1 0 424.589 3.570 50 0 HHAARO O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012303034 558372620 /nfs/dbraw/zinc/37/26/20/558372620.db2.gz BZZRKZDXFYRFIT-UHFFFAOYSA-N 1 0 407.562 3.590 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)Cn2cccn2)CC1 ZINC000012304432 558373553 /nfs/dbraw/zinc/37/35/53/558373553.db2.gz NJYYKCWTJHSKOF-UHFFFAOYSA-N 1 0 417.557 3.528 50 0 HHAARO OC[C@@H]1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012314589 558378073 /nfs/dbraw/zinc/37/80/73/558378073.db2.gz CXJHBAATRGEOQL-LJQANCHMSA-N 1 0 405.498 3.531 50 0 HHAARO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH2+]C(C1CC1)C1CC1 ZINC000012317117 558380540 /nfs/dbraw/zinc/38/05/40/558380540.db2.gz YCAYXUIPCOAXOR-UHFFFAOYSA-N 1 0 408.571 3.989 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)ccc2C)C1=O ZINC000020533158 558384399 /nfs/dbraw/zinc/38/43/99/558384399.db2.gz KOJJHCFJIIRFQB-QZMYASAMSA-N 1 0 403.526 3.905 50 0 HHAARO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012465507 558420149 /nfs/dbraw/zinc/42/01/49/558420149.db2.gz SHXZBFQZOYUPKN-HXUWFJFHSA-N 1 0 404.514 3.946 50 0 HHAARO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000020945332 558424799 /nfs/dbraw/zinc/42/47/99/558424799.db2.gz CVLJZVDDMQCKPQ-LJQANCHMSA-N 1 0 419.905 3.899 50 0 HHAARO CCOc1ccc(N2C(=O)c3ccccc3/C(=C\NCC(C)(C)C[NH+](C)C)C2=O)cc1 ZINC000021360188 558437376 /nfs/dbraw/zinc/43/73/76/558437376.db2.gz YJWGAWVJWBCFNW-PXLXIMEGSA-N 1 0 421.541 3.791 50 0 HHAARO CSc1ncc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)n1-c1ccccc1 ZINC000021782512 558448167 /nfs/dbraw/zinc/44/81/67/558448167.db2.gz IHGYCZDDPSPJSM-UHFFFAOYSA-N 1 0 406.555 3.989 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc4c3OCO4)CC2)cc1)N1CCCC1 ZINC000012704217 558448924 /nfs/dbraw/zinc/44/89/24/558448924.db2.gz IPPKQYCXMCLTSG-UHFFFAOYSA-N 1 0 408.498 3.695 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000012705371 558449526 /nfs/dbraw/zinc/44/95/26/558449526.db2.gz DNSCXIHZBJSGPH-XOJVXBCLSA-N 1 0 415.541 3.949 50 0 HHAARO CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000012711026 558452422 /nfs/dbraw/zinc/45/24/22/558452422.db2.gz PWYHYTIAALABGN-QFIPXVFZSA-N 1 0 408.542 3.681 50 0 HHAARO C[N@@H+]1CCC[C@]2(CCCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)C1 ZINC000012715673 558455101 /nfs/dbraw/zinc/45/51/01/558455101.db2.gz DFZYFWYFYCQVCS-FQEVSTJZSA-N 1 0 408.468 3.987 50 0 HHAARO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2)C1 ZINC000012716510 558455383 /nfs/dbraw/zinc/45/53/83/558455383.db2.gz YIBMHRUILJZEHV-CDDKBXLESA-N 1 0 414.571 3.540 50 0 HHAARO O[C@H](COc1ccc(F)cc1)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022018947 558458342 /nfs/dbraw/zinc/45/83/42/558458342.db2.gz KCOMSSIOGGUAGX-IBGZPJMESA-N 1 0 400.519 3.598 50 0 HHAARO O=c1c2ccccc2ncn1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022038529 558459581 /nfs/dbraw/zinc/45/95/81/558459581.db2.gz KTHCTAFKTVNBQN-UHFFFAOYSA-N 1 0 410.521 3.761 50 0 HHAARO Cc1cc(C(=O)N(C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)no1 ZINC000012758781 558460692 /nfs/dbraw/zinc/46/06/92/558460692.db2.gz VESKWDDISBVSBC-QFIPXVFZSA-N 1 0 411.546 3.825 50 0 HHAARO COc1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCC[N@H+]24)cc(OC)c1OC ZINC000012835303 558477934 /nfs/dbraw/zinc/47/79/34/558477934.db2.gz PXSLAQHKSZQBJO-KDLAUNOPSA-N 1 0 408.498 3.655 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000012975449 558491026 /nfs/dbraw/zinc/49/10/26/558491026.db2.gz YKCILLURJAUZGZ-LEWJYISDSA-N 1 0 409.555 3.965 50 0 HHAARO CCOc1cc2c(cc1C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1)O[C@@H](C)C2 ZINC000022804529 558513824 /nfs/dbraw/zinc/51/38/24/558513824.db2.gz DORQMBXFLIFGAS-CVDCTZTESA-N 1 0 410.558 3.880 50 0 HHAARO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]C[C@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929719 558523766 /nfs/dbraw/zinc/52/37/66/558523766.db2.gz XQDKRDZMJYPTTD-DNQXCXABSA-N 1 0 409.574 3.930 50 0 HHAARO COc1ccc(OC)c(CN2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c1 ZINC000022930946 558524249 /nfs/dbraw/zinc/52/42/49/558524249.db2.gz XJOBBBJDFBXXFU-UHFFFAOYSA-N 1 0 417.937 3.504 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000023143494 558537864 /nfs/dbraw/zinc/53/78/64/558537864.db2.gz VNQHMPXISLXQGF-UHFFFAOYSA-N 1 0 405.542 3.837 50 0 HHAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000023375271 558554802 /nfs/dbraw/zinc/55/48/02/558554802.db2.gz GWBFSEDNPRJLFB-DEOSSOPVSA-N 1 0 404.558 3.578 50 0 HHAARO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c2c(n1)onc2-c1ccc2c(c1)OCO2 ZINC000013641523 558555704 /nfs/dbraw/zinc/55/57/04/558555704.db2.gz HPJLOOVCFHZZNR-HNNXBMFYSA-N 1 0 422.485 3.531 50 0 HHAARO C[NH+](C)CCCNC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000013691170 558573207 /nfs/dbraw/zinc/57/32/07/558573207.db2.gz VRKFDCYYEPPIKH-UHFFFAOYSA-N 1 0 414.889 3.560 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc3ccccc3c(=O)n2C2CCCC2)C1 ZINC000025106162 558631854 /nfs/dbraw/zinc/63/18/54/558631854.db2.gz GPRKHNMBSFDHFO-GOSISDBHSA-N 1 0 401.576 3.961 50 0 HHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CS3)c2cccs2)CC1 ZINC000014197326 558634007 /nfs/dbraw/zinc/63/40/07/558634007.db2.gz VDPNZWGABQSCJO-QGZVFWFLSA-N 1 0 415.584 3.995 50 0 HHAARO C[C@@H]1Sc2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2NC1=O ZINC000014226678 558638790 /nfs/dbraw/zinc/63/87/90/558638790.db2.gz WWXBMDSNJLUCQZ-BBRMVZONSA-N 1 0 401.557 3.748 50 0 HHAARO COc1cc(OC)c(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc1OC ZINC000014230812 558639829 /nfs/dbraw/zinc/63/98/29/558639829.db2.gz JVEQNJYXBZQQGW-QGZVFWFLSA-N 1 0 418.559 3.977 50 0 HHAARO CCC[NH+]1CCN(C(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CC1 ZINC000025664189 558646889 /nfs/dbraw/zinc/64/68/89/558646889.db2.gz JFUIADFQBBVTSS-OAQYLSRUSA-N 1 0 413.949 3.755 50 0 HHAARO C[NH+](C)CC[C@H](NC(=O)c1ccn(COc2ccc(F)cc2)n1)c1ccc(F)cc1 ZINC000072258864 558654443 /nfs/dbraw/zinc/65/44/43/558654443.db2.gz XNYHQVPWFNQOCC-FQEVSTJZSA-N 1 0 414.456 3.621 50 0 HHAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](C1Cc3ccccc3C1)CC2 ZINC000014535691 558658021 /nfs/dbraw/zinc/65/80/21/558658021.db2.gz FQMZKXBBLQSLCD-UHFFFAOYSA-N 1 0 411.590 3.955 50 0 HHAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1ccc(N(C)c3ccccc3)cc1)CC2 ZINC000014542644 558660518 /nfs/dbraw/zinc/66/05/18/558660518.db2.gz HHAHBXFVNFLYOZ-UHFFFAOYSA-N 1 0 406.530 3.703 50 0 HHAARO CCN1CCN(C(=O)CCC2CC[NH+]([C@H](C)Cc3ccc(Cl)cc3)CC2)CC1 ZINC000014953705 558681769 /nfs/dbraw/zinc/68/17/69/558681769.db2.gz FWEWHOXBLZOBFT-LJQANCHMSA-N 1 0 406.014 3.927 50 0 HHAARO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000014963237 558684746 /nfs/dbraw/zinc/68/47/46/558684746.db2.gz GGETVWUFEBKDPE-UHFFFAOYSA-N 1 0 406.954 3.539 50 0 HHAARO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)NCC1(c2ccccc2)CCC1 ZINC000027951634 558685164 /nfs/dbraw/zinc/68/51/64/558685164.db2.gz WCMAGOZZNWCWCO-FQEVSTJZSA-N 1 0 405.542 3.575 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000014964131 558685257 /nfs/dbraw/zinc/68/52/57/558685257.db2.gz ZOVDFIXHXVANIA-SFHVURJKSA-N 1 0 422.504 3.693 50 0 HHAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](CCCc4ccccc4)CC3)O2)cs1 ZINC000014984806 558692584 /nfs/dbraw/zinc/69/25/84/558692584.db2.gz SLNGDTNXTUTPBK-FQEVSTJZSA-N 1 0 413.587 3.828 50 0 HHAARO CC[C@H](NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C)c1cccs1 ZINC000014991171 558694615 /nfs/dbraw/zinc/69/46/15/558694615.db2.gz PCPDUBYRWGHREH-AWEZNQCLSA-N 1 0 415.588 3.694 50 0 HHAARO CC(C)(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)NC[C@@H]4CCCO4)cc3c2)CC1 ZINC000014993193 558695322 /nfs/dbraw/zinc/69/53/22/558695322.db2.gz FDUWTNATJVVNOH-IBGZPJMESA-N 1 0 414.546 3.671 50 0 HHAARO CC(C)(C)OC(=O)NCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000028349630 558699511 /nfs/dbraw/zinc/69/95/11/558699511.db2.gz MCOPMJHEOVPGQW-PMACEKPBSA-N 1 0 401.551 3.706 50 0 HHAARO O=C(Nc1ccc(Oc2cccnc2)cc1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000015075574 558716046 /nfs/dbraw/zinc/71/60/46/558716046.db2.gz YNKWUNFCWHSPQJ-UHFFFAOYSA-N 1 0 407.470 3.810 50 0 HHAARO COc1cc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)ccc1Cl ZINC000004578111 558754566 /nfs/dbraw/zinc/75/45/66/558754566.db2.gz QNNSJDHXSIXDTL-UHFFFAOYSA-N 1 0 424.994 3.624 50 0 HHAARO CN(CC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000072308299 558770241 /nfs/dbraw/zinc/77/02/41/558770241.db2.gz GZGSFLXINPQBFH-UHFFFAOYSA-N 1 0 420.479 3.678 50 0 HHAARO C[NH+](C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N ZINC000004757848 558780777 /nfs/dbraw/zinc/78/07/77/558780777.db2.gz RLPKUKUTIUFMHT-UHFFFAOYSA-N 1 0 408.449 3.856 50 0 HHAARO Cc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4ccccc4C(F)(F)F)C3=O)c2c1 ZINC000017989118 558829324 /nfs/dbraw/zinc/82/93/24/558829324.db2.gz OOMNOFGNBXCQKS-GOSISDBHSA-N 1 0 415.415 3.959 50 0 HHAARO CCOc1cc(Cl)c(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000018004997 558829502 /nfs/dbraw/zinc/82/95/02/558829502.db2.gz DIPADQNGNKBCJE-UHFFFAOYSA-N 1 0 409.379 3.980 50 0 HHAARO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314419 558845919 /nfs/dbraw/zinc/84/59/19/558845919.db2.gz XSLRBRZZVPLYQG-SIKLNZKXSA-N 1 0 423.561 3.608 50 0 HHAARO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000072314420 558846160 /nfs/dbraw/zinc/84/61/60/558846160.db2.gz XSLRBRZZVPLYQG-UGKGYDQZSA-N 1 0 423.561 3.608 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000019228976 558853143 /nfs/dbraw/zinc/85/31/43/558853143.db2.gz HPCGLZDVDKIVEF-NRFANRHFSA-N 1 0 403.530 3.798 50 0 HHAARO OCc1nnc(CC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1-c1ccccc1 ZINC000055168723 558875078 /nfs/dbraw/zinc/87/50/78/558875078.db2.gz VBVBXUMGSBFFNH-UHFFFAOYSA-N 1 0 401.514 3.696 50 0 HHAARO Cc1ncsc1CCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccccc3C)CC2)C1 ZINC000055281711 558878332 /nfs/dbraw/zinc/87/83/32/558878332.db2.gz FDIYKKQAUGVWHB-FQEVSTJZSA-N 1 0 412.603 3.506 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4ccc(C)cc4)c(C)c32)CC1 ZINC000033048411 558885760 /nfs/dbraw/zinc/88/57/60/558885760.db2.gz OLTNTRHKTCLLAF-UHFFFAOYSA-N 1 0 423.586 3.770 50 0 HHAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)c3ccc(Oc4ccccc4)cc3)cn2)CC1 ZINC000058114327 558899672 /nfs/dbraw/zinc/89/96/72/558899672.db2.gz XMNOAQPQRDGITF-UHFFFAOYSA-N 1 0 416.525 3.946 50 0 HHAARO CCN(Cc1cccc(F)c1)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000058328444 558920007 /nfs/dbraw/zinc/92/00/07/558920007.db2.gz DQYGSPIRJKYRBD-IBGZPJMESA-N 1 0 412.509 3.577 50 0 HHAARO O=C(NCc1ccccc1F)c1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000058394064 558923906 /nfs/dbraw/zinc/92/39/06/558923906.db2.gz KSEJXCVWULXCNC-OAQYLSRUSA-N 1 0 424.520 3.848 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058406735 558924736 /nfs/dbraw/zinc/92/47/36/558924736.db2.gz QBRFUQOQKDMYFZ-VQTJNVASSA-N 1 0 412.603 3.786 50 0 HHAARO Fc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000019595659 558946028 /nfs/dbraw/zinc/94/60/28/558946028.db2.gz SCFVVOFWRWKQKG-QHCPKHFHSA-N 1 0 419.548 3.798 50 0 HHAARO CC(C)(C)OC(=O)NC1CC[NH+](CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 ZINC000072403122 558958560 /nfs/dbraw/zinc/95/85/60/558958560.db2.gz IXUCIHQRSJHCKI-UHFFFAOYSA-N 1 0 411.506 3.750 50 0 HHAARO CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NCc2ccccc2Cl)c(=O)[nH]1 ZINC000064045036 558961838 /nfs/dbraw/zinc/96/18/38/558961838.db2.gz DXEFTCXOTPKCSJ-UHFFFAOYSA-N 1 0 409.917 3.980 50 0 HHAARO Cc1ccc(N2CCC3(CCC[N@H+]3Cc3nn(C)c4cccc(Cl)c34)CC2)nn1 ZINC000072436634 558980030 /nfs/dbraw/zinc/98/00/30/558980030.db2.gz QLHDWZDTPZPNKE-UHFFFAOYSA-N 1 0 410.953 3.960 50 0 HHAARO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4C)CC3)n2)cc1 ZINC000067613863 558989427 /nfs/dbraw/zinc/98/94/27/558989427.db2.gz SCBKZRLDEFWNHW-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO Cc1nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc(N2CCCCC2)[nH+]1 ZINC000067621742 558989631 /nfs/dbraw/zinc/98/96/31/558989631.db2.gz WZESLLQVAMQTFN-UHFFFAOYSA-N 1 0 417.916 3.530 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000067629791 558990325 /nfs/dbraw/zinc/99/03/25/558990325.db2.gz LSLUVNUYGCALGM-UHFFFAOYSA-N 1 0 401.514 3.501 50 0 HHAARO COc1cccc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1OC ZINC000077405955 559003824 /nfs/dbraw/zinc/00/38/24/559003824.db2.gz CPMPUNQGRBLKME-QGZVFWFLSA-N 1 0 402.922 3.999 50 0 HHAARO COc1cccc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)c1OC ZINC000077405954 559003866 /nfs/dbraw/zinc/00/38/66/559003866.db2.gz CPMPUNQGRBLKME-KRWDZBQOSA-N 1 0 402.922 3.999 50 0 HHAARO CCC1(CC)CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)C1 ZINC000082106573 559038371 /nfs/dbraw/zinc/03/83/71/559038371.db2.gz LOHCNZQMOTXGAU-QFIPXVFZSA-N 1 0 412.622 3.797 50 0 HHAARO CC(C)(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000023224700 559062615 /nfs/dbraw/zinc/06/26/15/559062615.db2.gz IPRUSLAWLIOMOF-HSZRJFAPSA-N 1 0 412.574 3.563 50 0 HHAARO CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CC[NH+](C)CC2)cc1 ZINC000585157966 559063760 /nfs/dbraw/zinc/06/37/60/559063760.db2.gz YADLMVNDEXBQEB-UHFFFAOYSA-N 1 0 401.514 3.900 50 0 HHAARO O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091460215 559071651 /nfs/dbraw/zinc/07/16/51/559071651.db2.gz BYYAHYMLMBYWKF-SFHVURJKSA-N 1 0 410.562 3.958 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccccc1OC ZINC000011614771 559114564 /nfs/dbraw/zinc/11/45/64/559114564.db2.gz GRCDMNNSKRFJCY-QFIPXVFZSA-N 1 0 420.509 3.997 50 0 HHAARO COc1cc(-c2nc(CN3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c(C)o2)ccc1F ZINC000097642836 559119535 /nfs/dbraw/zinc/11/95/35/559119535.db2.gz ALDMBOJURUXUNH-IYBDPMFKSA-N 1 0 417.525 3.871 50 0 HHAARO O=C1C=C(NNc2nc3ccccc3s2)C(O)N1c1ccc(Cl)cc1Cl ZINC000100119166 559130039 /nfs/dbraw/zinc/13/00/39/559130039.db2.gz IBBHILCJOWNFSK-LBPRGKRZSA-N 1 0 407.282 3.852 50 0 HHAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000014241708 559161727 /nfs/dbraw/zinc/16/17/27/559161727.db2.gz ZXNQFTRSEQLXRU-UHFFFAOYSA-N 1 0 422.529 3.519 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000023738182 559179555 /nfs/dbraw/zinc/17/95/55/559179555.db2.gz RLPOISLZBJSKRE-WIYYLYMNSA-N 1 0 411.933 3.646 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000023866326 559181387 /nfs/dbraw/zinc/18/13/87/559181387.db2.gz APWQTIOMIMSNBC-QHCPKHFHSA-N 1 0 408.521 3.619 50 0 HHAARO CCn1c(C)cc(O)c([C@@H](c2ccc(OC)c(OC)c2)[NH+]2CCC(C)CC2)c1=O ZINC000024022987 559187789 /nfs/dbraw/zinc/18/77/89/559187789.db2.gz CRMNTAUJXOZCFX-JOCHJYFZSA-N 1 0 400.519 3.721 50 0 HHAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000005115002 559247209 /nfs/dbraw/zinc/24/72/09/559247209.db2.gz HMMNUSBKBPBSJG-UHFFFAOYSA-N 1 0 407.495 3.920 50 0 HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Cc1cn(C)c2ccccc12 ZINC000409413995 559250905 /nfs/dbraw/zinc/25/09/05/559250905.db2.gz HTFQSUXPBXRLIH-NZQKXSOJSA-N 1 0 411.590 3.850 50 0 HHAARO CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000005253044 560551808 /nfs/dbraw/zinc/55/18/08/560551808.db2.gz CJWLXMRDVCKPIG-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@H](c1ccccc1OC)c1ccc(O)cc1O2 ZINC000005349035 560571235 /nfs/dbraw/zinc/57/12/35/560571235.db2.gz MSSXPLMAXBJPOT-OAQYLSRUSA-N 1 0 420.513 3.704 50 0 HHAARO O=S(=O)(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1Br ZINC000047032994 560879875 /nfs/dbraw/zinc/87/98/75/560879875.db2.gz VHOBPICWSKGRBL-QGZVFWFLSA-N 1 0 409.349 3.565 50 0 HHAARO C[C@@H]1CN(C(=O)Nc2ccccc2O[C@H]2CCOC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000108150424 560898193 /nfs/dbraw/zinc/89/81/93/560898193.db2.gz GCCSGAHCZZOYRH-DYXWJJEUSA-N 1 0 409.530 3.981 50 0 HHAARO C[NH+](C)C[C@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@H](O)c1ccccc1 ZINC000048275194 568435438 /nfs/dbraw/zinc/43/54/38/568435438.db2.gz KYEHYGQAEPWBEK-ZWKOTPCHSA-N 1 0 417.579 3.619 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3cccc(C[S@](C)=O)c3)cc2)C1 ZINC000048310426 568436624 /nfs/dbraw/zinc/43/66/24/568436624.db2.gz XZGYRANEBLFPOQ-VAVDGXSSSA-N 1 0 412.599 3.973 50 0 HHAARO CC(C)[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 ZINC000049605833 568452604 /nfs/dbraw/zinc/45/26/04/568452604.db2.gz VKQCHELVOVIMRE-HSZRJFAPSA-N 1 0 400.494 3.633 50 0 HHAARO O=C(NC[C@@H]1CCCO1)C1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000000778769 568473844 /nfs/dbraw/zinc/47/38/44/568473844.db2.gz FGULNZFEEJIVCD-DEOSSOPVSA-N 1 0 408.542 3.773 50 0 HHAARO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000222427206 568515669 /nfs/dbraw/zinc/51/56/69/568515669.db2.gz HBIHILGQENLYSC-TUNPWDSISA-N 1 0 407.599 3.698 50 0 HHAARO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000095399571 568604815 /nfs/dbraw/zinc/60/48/15/568604815.db2.gz LQDHRARTHKTZLT-CRAIPNDOSA-N 1 0 407.967 3.700 50 0 HHAARO O=C(CCCn1c(=O)c2cccn2c2ccccc21)N1CC[NH+](C2CCCCC2)CC1 ZINC000020489626 568614208 /nfs/dbraw/zinc/61/42/08/568614208.db2.gz DKUGLIYAAWVPSM-UHFFFAOYSA-N 1 0 420.557 3.511 50 0 HHAARO CCCC[N@H+](CC(N)=O)Cc1c(-c2ccc(Br)s2)nc2ccccn21 ZINC000095454263 568616115 /nfs/dbraw/zinc/61/61/15/568616115.db2.gz RJAPODKMRGIECG-UHFFFAOYSA-N 1 0 421.364 3.913 50 0 HHAARO CCn1c(CN2CC[NH+](Cc3ccccc3)CC2)nc2cc(NC(=O)C(C)C)ccc21 ZINC000020678106 568640081 /nfs/dbraw/zinc/64/00/81/568640081.db2.gz OBHVGPIUIMVKFY-UHFFFAOYSA-N 1 0 419.573 3.969 50 0 HHAARO C[N@@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000020927372 568651559 /nfs/dbraw/zinc/65/15/59/568651559.db2.gz VVMJBTMDJXADJP-UHFFFAOYSA-N 1 0 424.526 3.620 50 0 HHAARO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3C)c2)c2ccc(F)cc2C1 ZINC000225614882 568657198 /nfs/dbraw/zinc/65/71/98/568657198.db2.gz VUYBGEVWIIOPSX-DEOSSOPVSA-N 1 0 406.505 3.962 50 0 HHAARO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cncc(Br)c3)cc2)CC1 ZINC000095975557 568672472 /nfs/dbraw/zinc/67/24/72/568672472.db2.gz FXHOCEQJMCTVRF-UHFFFAOYSA-N 1 0 403.324 3.627 50 0 HHAARO CCOc1ccc(C[NH2+][C@H]2CCC[C@H](N3C(=O)c4ccccc4C3=O)C2)cc1OC ZINC000095979799 568675214 /nfs/dbraw/zinc/67/52/14/568675214.db2.gz UUJDJGLWVXALJA-ROUUACIJSA-N 1 0 408.498 3.791 50 0 HHAARO C[C@@H]1CN(C(=O)Nc2ccccc2O[C@@H]2CCOC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000095980595 568675346 /nfs/dbraw/zinc/67/53/46/568675346.db2.gz GCCSGAHCZZOYRH-SVFBPWRDSA-N 1 0 409.530 3.981 50 0 HHAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)Nc3ccc(F)cc3F)CC2)c1 ZINC000021174698 568676917 /nfs/dbraw/zinc/67/69/17/568676917.db2.gz YSQPIOIRPGLOBZ-UHFFFAOYSA-N 1 0 402.489 3.915 50 0 HHAARO COCc1nnc(-c2cccc(C(=O)NC3CC[NH+](CC4CCCCC4)CC3)c2)o1 ZINC000095990185 568677900 /nfs/dbraw/zinc/67/79/00/568677900.db2.gz QBSOOHIVUVBHOV-UHFFFAOYSA-N 1 0 412.534 3.658 50 0 HHAARO C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2Br)C1 ZINC000012420339 568720499 /nfs/dbraw/zinc/72/04/99/568720499.db2.gz MTDASFVQYTWGOX-DGCLKSJQSA-N 1 0 407.146 3.683 50 0 HHAARO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H](C)C1 ZINC000229848056 568715504 /nfs/dbraw/zinc/71/55/04/568715504.db2.gz JXZWVEUXGSBXNL-ICSRJNTNSA-N 1 0 411.594 3.770 50 0 HHAARO C[C@H](c1ccccc1)N(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccccc1F ZINC000096280148 568717820 /nfs/dbraw/zinc/71/78/20/568717820.db2.gz XKWRSRCZQRCMAR-GOSISDBHSA-N 1 0 424.520 3.869 50 0 HHAARO CC1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000012420319 568720472 /nfs/dbraw/zinc/72/04/72/568720472.db2.gz AFHXIRKJGRAZMB-CYBMUJFWSA-N 1 0 407.146 3.683 50 0 HHAARO C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 ZINC000239367340 568729250 /nfs/dbraw/zinc/72/92/50/568729250.db2.gz AIJFVHKPBNNODG-YVEFUNNKSA-N 1 0 421.866 3.837 50 0 HHAARO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 ZINC000015071843 568749164 /nfs/dbraw/zinc/74/91/64/568749164.db2.gz MCSDFMWVNHNTDL-QGZVFWFLSA-N 1 0 401.938 3.739 50 0 HHAARO COC(=O)c1cc([C@H](O)C[NH2+]CCCCOCCCCc2ccccc2)ccc1O ZINC000252508464 568752194 /nfs/dbraw/zinc/75/21/94/568752194.db2.gz XNQFGFHIRNIWSZ-HSZRJFAPSA-N 1 0 415.530 3.622 50 0 HHAARO Cc1ccc(Nc2nc(NCC[N@@H+]3CCc4ccccc4C3)nc3c2cnn3C)cc1 ZINC000021928940 568761537 /nfs/dbraw/zinc/76/15/37/568761537.db2.gz LKWXUQMTNPHJOV-UHFFFAOYSA-N 1 0 413.529 3.886 50 0 HHAARO Cc1cccc(C2N=NC(=S)N2CCC(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000096943863 568765484 /nfs/dbraw/zinc/76/54/84/568765484.db2.gz VHYPGEMDIVSPPC-UHFFFAOYSA-N 1 0 415.607 3.703 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)NCc3ccccc3Cl)c(C)c2)CC1 ZINC000056170310 568790647 /nfs/dbraw/zinc/79/06/47/568790647.db2.gz YZIHIBRWGAWBPE-SFHVURJKSA-N 1 0 414.981 3.907 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000261492487 568820441 /nfs/dbraw/zinc/82/04/41/568820441.db2.gz CVDGYXGJVSCRTE-UHFFFAOYSA-N 1 0 412.950 3.748 50 0 HHAARO CC(C)CC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057254392 568825193 /nfs/dbraw/zinc/82/51/93/568825193.db2.gz QZZBSCKRIKUAMO-UHFFFAOYSA-N 1 0 410.587 3.868 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464028 568835122 /nfs/dbraw/zinc/83/51/22/568835122.db2.gz FJNSNQCJKHTLOS-PKTZIBPZSA-N 1 0 406.574 3.724 50 0 HHAARO C[N@H+](C[C@H]1CCCO1)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003058181 568851827 /nfs/dbraw/zinc/85/18/27/568851827.db2.gz KYCKPNHPBQTLKN-QGZVFWFLSA-N 1 0 401.498 3.977 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC000003184569 568860326 /nfs/dbraw/zinc/86/03/26/568860326.db2.gz YMKXXRLCKZLIIR-NRFANRHFSA-N 1 0 418.559 3.567 50 0 HHAARO CCOc1ccc([N+]2=C3SCCCN3C[C@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000003239624 568865981 /nfs/dbraw/zinc/86/59/81/568865981.db2.gz WKAPRRNMBYFNFC-NRFANRHFSA-N 1 0 421.489 3.857 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Br)cc1Br ZINC000035052992 568872327 /nfs/dbraw/zinc/87/23/27/568872327.db2.gz MHLQXVOWVVZPPS-YPMHNXCESA-N 1 0 407.146 3.826 50 0 HHAARO O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000299794055 568876085 /nfs/dbraw/zinc/87/60/85/568876085.db2.gz IZLYMFGBCICAKV-LJQANCHMSA-N 1 0 406.482 3.591 50 0 HHAARO CCCCOc1cc(CNC[C@H](C[NH+](C)C)[C@@H](O)c2ccccc2)ccc1OC ZINC000058152312 568892881 /nfs/dbraw/zinc/89/28/81/568892881.db2.gz ONXPXLPXAIUGHR-QPPBQGQZSA-N 1 0 400.563 3.875 50 0 HHAARO C[NH+](C)CCN(CC1CCCCC1)C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000058162152 568894858 /nfs/dbraw/zinc/89/48/58/568894858.db2.gz YXVZOZHJLQHLRE-UHFFFAOYSA-N 1 0 411.554 3.651 50 0 HHAARO CC1CC[NH+]([C@H](CNC(=O)NCc2ccc3c(c2)OCO3)c2cccs2)CC1 ZINC000030988834 568907683 /nfs/dbraw/zinc/90/76/83/568907683.db2.gz CIGJNKOPOOJNBJ-QGZVFWFLSA-N 1 0 401.532 3.749 50 0 HHAARO O[C@H](COc1ccccc1F)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000025753537 568913685 /nfs/dbraw/zinc/91/36/85/568913685.db2.gz PKEMZCLTVPLYPO-SFHVURJKSA-N 1 0 400.519 3.598 50 0 HHAARO CC1(C)Cc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C(N)=O)C(C)(C)[NH2+]1 ZINC000004275269 568962320 /nfs/dbraw/zinc/96/23/20/568962320.db2.gz CORMICXADDNQIX-UHFFFAOYSA-N 1 0 421.950 3.677 50 0 HHAARO COC(=O)c1ccc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CC[NH2+]CC2)cc1 ZINC000015727018 568978366 /nfs/dbraw/zinc/97/83/66/568978366.db2.gz JPSUFJYRQRVURD-UHFFFAOYSA-N 1 0 422.460 3.517 50 0 HHAARO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107858 568991927 /nfs/dbraw/zinc/99/19/27/568991927.db2.gz RTSCTICDMHXMOB-GHTZIAJQSA-N 1 0 409.578 3.711 50 0 biogenic HHAARO CC[NH+](CC)[C@@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000012909307 569021719 /nfs/dbraw/zinc/02/17/19/569021719.db2.gz DLLVEQIGWMAEJW-QFIPXVFZSA-N 1 0 418.541 3.871 50 0 HHAARO COc1ccc(C2=NC3(CC[NH+](C)CC3)N=C2SCC(=O)Nc2ccccc2)cc1 ZINC000035372475 569033896 /nfs/dbraw/zinc/03/38/96/569033896.db2.gz MQMFRTDJSLCRLM-UHFFFAOYSA-N 1 0 422.554 3.690 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ccc(-c3cccc(C)c3)nn2)C1 ZINC000035398225 569035110 /nfs/dbraw/zinc/03/51/10/569035110.db2.gz QNXOXNMJPQAJSH-NRFANRHFSA-N 1 0 409.578 3.517 50 0 HHAARO C[N@H+](CCNC(=O)C1CCN(c2ccc(-c3ccccc3)nn2)CC1)C1CCCCC1 ZINC000035398345 569035174 /nfs/dbraw/zinc/03/51/74/569035174.db2.gz JSRQBAQBOBKQFB-UHFFFAOYSA-N 1 0 421.589 3.741 50 0 HHAARO COc1cccc(Cn2ncc3ccc(C(=O)NCC[N@@H+]4CCC[C@H](C)C4)cc32)c1 ZINC000035560007 569044880 /nfs/dbraw/zinc/04/48/80/569044880.db2.gz HAMFKZCDTWWXPW-SFHVURJKSA-N 1 0 406.530 3.555 50 0 HHAARO CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000006357378 569045265 /nfs/dbraw/zinc/04/52/65/569045265.db2.gz QIDPWIKJFMARTD-QDSKXPNFSA-N 1 0 400.563 3.766 50 0 biogenic HHAARO O=C(Cc1ccc(F)cc1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000035598033 569045800 /nfs/dbraw/zinc/04/58/00/569045800.db2.gz HXSAMBWFKUNGCD-UHFFFAOYSA-N 1 0 404.489 3.724 50 0 HHAARO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@H](C)O1 ZINC000012999039 569048944 /nfs/dbraw/zinc/04/89/44/569048944.db2.gz KUBHDMBHEZRVIV-HDICACEKSA-N 1 0 410.518 3.560 50 0 HHAARO C[C@@H]1C[NH+](CCCNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)C[C@@H](C)O1 ZINC000012999035 569048963 /nfs/dbraw/zinc/04/89/63/569048963.db2.gz KUBHDMBHEZRVIV-QZTJIDSGSA-N 1 0 410.518 3.560 50 0 HHAARO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccc(OC)c2OC)CC(C)C)cc1 ZINC000036097070 569090315 /nfs/dbraw/zinc/09/03/15/569090315.db2.gz NXYZIHCRPLGDTN-LJQANCHMSA-N 1 0 403.519 3.610 50 0 HHAARO Cc1ccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)s1 ZINC000036101344 569091469 /nfs/dbraw/zinc/09/14/69/569091469.db2.gz DCKLCSBRHSJBCP-GOSISDBHSA-N 1 0 415.511 3.958 50 0 HHAARO Cc1ccc(C)c(Cn2ccnc2CN(CC[NH+](C)C)C(=O)c2ccc(F)cc2)c1 ZINC000006696642 569092031 /nfs/dbraw/zinc/09/20/31/569092031.db2.gz LBOTUPSJUSFFHG-UHFFFAOYSA-N 1 0 408.521 3.891 50 0 HHAARO CC(C)(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145865 569098349 /nfs/dbraw/zinc/09/83/49/569098349.db2.gz DQFGLAYYLOBEOW-VXKWHMMOSA-N 1 0 414.521 3.997 50 0 HHAARO COc1ccc(-c2noc(-c3ccc(NCCC[N@@H+]4CCC[C@H](C)C4)nn3)n2)cc1 ZINC000064838067 569106206 /nfs/dbraw/zinc/10/62/06/569106206.db2.gz GPCZYWJOZXUNOZ-INIZCTEOSA-N 1 0 408.506 3.736 50 0 HHAARO CC(C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169681567 569127598 /nfs/dbraw/zinc/12/75/98/569127598.db2.gz GJMMNJHLDBUAMN-QUCCMNQESA-N 1 0 409.496 3.836 50 0 HHAARO CCCC[C@H](O)C[NH+]1CCN(c2nc(C)nc(CC)c2Cc2ccccc2F)CC1 ZINC000036340828 569141456 /nfs/dbraw/zinc/14/14/56/569141456.db2.gz HNTLGIMHGZCWHA-FQEVSTJZSA-N 1 0 414.569 3.750 50 0 HHAARO CCCC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340313 569141647 /nfs/dbraw/zinc/14/16/47/569141647.db2.gz HWPKHCFCYBSSHB-HSZRJFAPSA-N 1 0 410.606 3.974 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343482 569142844 /nfs/dbraw/zinc/14/28/44/569142844.db2.gz PNPZKLFMLFLRTR-DEOSSOPVSA-N 1 0 404.558 3.619 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc(C)cc2C)CC1 ZINC000036345726 569143356 /nfs/dbraw/zinc/14/33/56/569143356.db2.gz LDVVTHQCPDEEKU-XMMPIXPASA-N 1 0 422.548 3.758 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ncc(-c3cccc(C)c3)cn2)CC1 ZINC000065023773 569155142 /nfs/dbraw/zinc/15/51/42/569155142.db2.gz VWAUAABSLCAYGH-UHFFFAOYSA-N 1 0 409.578 3.517 50 0 HHAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCCC[NH+]4CCCCC4)cc3)ccc21 ZINC000065026990 569155815 /nfs/dbraw/zinc/15/58/15/569155815.db2.gz XEHJCBKSYHVZGI-UHFFFAOYSA-N 1 0 405.542 3.868 50 0 HHAARO Cc1ccc2c(c1)N(CC(=O)NCCC[N@H+]1CCCC[C@@H]1C)C(=O)c1cccnc1O2 ZINC000006878076 569164986 /nfs/dbraw/zinc/16/49/86/569164986.db2.gz LTCCSDIZLAMOOM-SFHVURJKSA-N 1 0 422.529 3.523 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)C1 ZINC000036391818 569167525 /nfs/dbraw/zinc/16/75/25/569167525.db2.gz VDBHQVRNGYZTEV-LJQANCHMSA-N 1 0 419.525 3.652 50 0 HHAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000006940643 569185684 /nfs/dbraw/zinc/18/56/84/569185684.db2.gz XOUSTUQTQAPOCR-INIZCTEOSA-N 1 0 400.519 3.942 50 0 HHAARO Cn1cc(CC[NH+]2CCC(C(=O)NCc3cccc(Cl)c3)CC2)c2cccnc21 ZINC000065164939 569189424 /nfs/dbraw/zinc/18/94/24/569189424.db2.gz LHEKFGYDKPOECP-UHFFFAOYSA-N 1 0 410.949 3.798 50 0 HHAARO CCCn1c(-c2cccc(C(=O)NCC[NH+]3CCC(C)CC3)c2)nc2cccnc21 ZINC000065172872 569189990 /nfs/dbraw/zinc/18/99/90/569189990.db2.gz KHJNCBMEOIHEBP-UHFFFAOYSA-N 1 0 405.546 3.970 50 0 HHAARO COc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)cc(OC)c1 ZINC000007000456 569197237 /nfs/dbraw/zinc/19/72/37/569197237.db2.gz RBGBHOONBDTCGH-UHFFFAOYSA-N 1 0 424.476 3.748 50 0 HHAARO C[C@@H]1CCCN(c2ccc(-c3noc(CN4CC[NH+](C5CCCCC5)CC4)n3)cn2)C1 ZINC000065216086 569197700 /nfs/dbraw/zinc/19/77/00/569197700.db2.gz KLUOQRNCPNXXSZ-LJQANCHMSA-N 1 0 424.593 3.818 50 0 HHAARO O=C(Cn1ccc2ccc(N3CCCCCC3)nc21)N1CCC([NH+]2CCCCC2)CC1 ZINC000065211945 569197796 /nfs/dbraw/zinc/19/77/96/569197796.db2.gz FBXLASWKFKEHDD-UHFFFAOYSA-N 1 0 423.605 3.894 50 0 HHAARO CC(C)N1c2ccc(C(=O)NCCC[NH+]3CCCC3)cc2Sc2ncccc2C1=O ZINC000065241451 569204164 /nfs/dbraw/zinc/20/41/64/569204164.db2.gz DSOHNKWTSPVRBX-UHFFFAOYSA-N 1 0 424.570 3.817 50 0 HHAARO CCOc1ccc(NC(=O)c2cccnc2N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000065255807 569208018 /nfs/dbraw/zinc/20/80/18/569208018.db2.gz FIIWDHKRUTYRNA-JOCHJYFZSA-N 1 0 402.498 3.884 50 0 HHAARO CCCOc1ccc(Br)cc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007126234 569223517 /nfs/dbraw/zinc/22/35/17/569223517.db2.gz NYSLPPAOCXOEQG-MRXNPFEDSA-N 1 0 400.280 3.684 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604704 569237189 /nfs/dbraw/zinc/23/71/89/569237189.db2.gz GENMROSVISJXQZ-CVDCTZTESA-N 1 0 410.537 3.788 50 0 HHAARO CCOc1cc(C[NH+]2CCC(NC(=O)c3coc(-c4ccccc4)n3)CC2)ccc1O ZINC000170605916 569244249 /nfs/dbraw/zinc/24/42/49/569244249.db2.gz VKRYJOPWIHUFQR-UHFFFAOYSA-N 1 0 421.497 3.840 50 0 HHAARO COC(=O)c1sccc1NC(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000013319998 569254844 /nfs/dbraw/zinc/25/48/44/569254844.db2.gz CCPRLAUNBYLWPU-UHFFFAOYSA-N 1 0 403.548 3.653 50 0 HHAARO COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000016994129 569270746 /nfs/dbraw/zinc/27/07/46/569270746.db2.gz ARGMABUGHIKYQQ-UHFFFAOYSA-N 1 0 411.546 3.653 50 0 HHAARO O=C1N(CN2CCc3ccccc3C2)c2ccccc2[C@@]12O[C@@H]1CCCCC[C@@H]1O2 ZINC000252430648 569285333 /nfs/dbraw/zinc/28/53/33/569285333.db2.gz BVZPIBXMSLWZEV-FVRPBGSPSA-N 1 0 404.510 3.950 50 0 HHAARO Cc1ccc(C[NH+]2CCC(N3CCN(c4ncccc4C(F)(F)F)CC3)CC2)o1 ZINC000252484293 569289214 /nfs/dbraw/zinc/28/92/14/569289214.db2.gz FTVQSNASSWNHKM-UHFFFAOYSA-N 1 0 408.468 3.788 50 0 HHAARO C[NH+](C)CCNc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCCC3 ZINC000002200567 569295482 /nfs/dbraw/zinc/29/54/82/569295482.db2.gz SFEJLZAOEZUDOA-UHFFFAOYSA-N 1 0 410.587 3.943 50 0 HHAARO [NH3+][C@@H](CNC(=O)CCCCc1ccc(I)cc1)c1ccccc1 ZINC000170676908 569297929 /nfs/dbraw/zinc/29/79/29/569297929.db2.gz QMDHWGAPJDNHPF-SFHVURJKSA-N 1 0 422.310 3.820 50 0 HHAARO Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000007687114 569300717 /nfs/dbraw/zinc/30/07/17/569300717.db2.gz VZDXXTORHDESKQ-UHFFFAOYSA-N 1 0 422.558 3.606 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000007829072 569313371 /nfs/dbraw/zinc/31/33/71/569313371.db2.gz YIXUAALHQVXMPR-UHFFFAOYSA-N 1 0 413.587 3.759 50 0 HHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000252674596 569319519 /nfs/dbraw/zinc/31/95/19/569319519.db2.gz SIXCHSTYCOPRDB-PGRDOPGGSA-N 1 0 421.545 3.591 50 0 HHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)Nc4ccccc4)CC3)C2)CC1 ZINC000581819762 569320714 /nfs/dbraw/zinc/32/07/14/569320714.db2.gz JPIFHPREBNXGFK-JOCHJYFZSA-N 1 0 414.594 3.506 50 0 HHAARO CC(C)N1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CC4CCCCC4)CC3)C2)CC1 ZINC000581819680 569320734 /nfs/dbraw/zinc/32/07/34/569320734.db2.gz BHNJLBKCAWMABK-JOCHJYFZSA-N 1 0 405.627 3.523 50 0 HHAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCCCn1cnc2ccccc2c1=O ZINC000253406228 569366040 /nfs/dbraw/zinc/36/60/40/569366040.db2.gz IUAHIFOJXGFEPE-NZQKXSOJSA-N 1 0 424.589 3.680 50 0 biogenic HHAARO CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000002400820 569395459 /nfs/dbraw/zinc/39/54/59/569395459.db2.gz TZLDURNTYGKLSN-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO Cc1cccc(-c2ncc(CN3CC[N@H+](Cc4ccccc4C)[C@H](CCO)C3)cn2)c1 ZINC000039485093 571132491 /nfs/dbraw/zinc/13/24/91/571132491.db2.gz PHGLOOLLTQJPKE-RUZDIDTESA-N 1 0 416.569 3.829 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000040012818 571138348 /nfs/dbraw/zinc/13/83/48/571138348.db2.gz VPKBGAGPZUKNNV-FQEVSTJZSA-N 1 0 403.567 3.833 50 0 HHAARO Fc1ccc(NC(=S)NCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000040087589 571158083 /nfs/dbraw/zinc/15/80/83/571158083.db2.gz NGAIGIQMNNVIQI-UHFFFAOYSA-N 1 0 406.958 3.978 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(I)cc1 ZINC000040108155 571168012 /nfs/dbraw/zinc/16/80/12/571168012.db2.gz YXRZNWJCVJZMGU-AWEZNQCLSA-N 1 0 400.304 3.676 50 0 HHAARO CC1CC[NH+](Cc2ccc(NC(=O)CN3c4ccccc4OCCC3=O)cc2)CC1 ZINC000040118644 571174834 /nfs/dbraw/zinc/17/48/34/571174834.db2.gz UJSUQSIHQXCHRZ-UHFFFAOYSA-N 1 0 407.514 3.673 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC1 ZINC000040152079 571199765 /nfs/dbraw/zinc/19/97/65/571199765.db2.gz SUELYUQOFBYNSA-SFTDATJTSA-N 1 0 413.949 3.658 50 0 HHAARO Cc1ccccc1C(=O)N[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(C)C ZINC000040157546 571204156 /nfs/dbraw/zinc/20/41/56/571204156.db2.gz LMDCUKVYSGGTTP-QHCPKHFHSA-N 1 0 413.606 3.864 50 0 HHAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)c1 ZINC000244969028 571210902 /nfs/dbraw/zinc/21/09/02/571210902.db2.gz GUWCLVJGBGJEOW-OAQYLSRUSA-N 1 0 411.512 3.861 50 0 HHAARO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](C1CC1)C1CCC(C)CC1 ZINC000069595236 571232521 /nfs/dbraw/zinc/23/25/21/571232521.db2.gz IQIVOQLLAPQZAB-UHFFFAOYSA-N 1 0 418.607 3.850 50 0 HHAARO Cc1c(C(=O)NC2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000069848267 571247052 /nfs/dbraw/zinc/24/70/52/571247052.db2.gz BSEAJEQQHIZETE-UHFFFAOYSA-N 1 0 415.541 3.806 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cnn(Cc3ccccc3)c2)[NH+]2CCCCC2)cc1 ZINC000009762385 571284669 /nfs/dbraw/zinc/28/46/69/571284669.db2.gz LBZWWZYYQRORHV-XMMPIXPASA-N 1 0 418.541 3.897 50 0 HHAARO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccccc1F ZINC000010334028 571300623 /nfs/dbraw/zinc/30/06/23/571300623.db2.gz BQUZRIZJCNBTIQ-JOCHJYFZSA-N 1 0 405.473 3.871 50 0 HHAARO Cc1ccc2nc(N3CC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)C3)sc2c1 ZINC000077101411 571311552 /nfs/dbraw/zinc/31/15/52/571311552.db2.gz HPNCAXJVGKWWIO-UHFFFAOYSA-N 1 0 420.582 3.822 50 0 HHAARO O=C(NC1CC1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035871502 571317123 /nfs/dbraw/zinc/31/71/23/571317123.db2.gz HYJDCEDDPYFPOB-AZUAARDMSA-N 1 0 407.480 3.590 50 0 HHAARO C[N@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000011668168 962158850 /nfs/dbraw/zinc/15/88/50/962158850.db2.gz YBUOTDQLQMGJLA-OAQYLSRUSA-N 1 0 420.582 3.908 50 0 HHAARO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2Cc2ccc(-n3cccn3)cc2)c1 ZINC000011784292 962190625 /nfs/dbraw/zinc/19/06/25/962190625.db2.gz RTLVOUNNBKKESA-NRFANRHFSA-N 1 0 404.514 3.552 50 0 HHAARO C[C@]1(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011871111 962203200 /nfs/dbraw/zinc/20/32/00/962203200.db2.gz AOFFHQCPIBKFEK-HSZRJFAPSA-N 1 0 422.554 3.952 50 0 HHAARO CN(C)c1ccccc1C(=O)NC[C@H]1CCC2(CC[NH+](Cc3ccccc3)CC2)O1 ZINC000012098837 962238560 /nfs/dbraw/zinc/23/85/60/962238560.db2.gz AACTVMYHBYNCEK-OAQYLSRUSA-N 1 0 407.558 3.696 50 0 HHAARO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](C4CCCC4)CC3)c2C1=O ZINC000012152145 962245874 /nfs/dbraw/zinc/24/58/74/962245874.db2.gz FBVWBPWHHWZMMQ-HNNXBMFYSA-N 1 0 410.543 3.565 50 0 HHAARO CCc1ccc(C[NH+]2CCC([C@@]3(C)NC(=O)N(C4Cc5ccccc5C4)C3=O)CC2)o1 ZINC000012158355 962246972 /nfs/dbraw/zinc/24/69/72/962246972.db2.gz CNYIXIZYMBMPLT-RUZDIDTESA-N 1 0 421.541 3.532 50 0 HHAARO CC(C)c1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)cc1 ZINC000012204851 962252299 /nfs/dbraw/zinc/25/22/99/962252299.db2.gz XDJYQRKDPPXYFE-VXKWHMMOSA-N 1 0 400.563 3.619 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2cc[n+]([O-])cc2)C2CCCC2)CC1 ZINC000012457117 962284207 /nfs/dbraw/zinc/28/42/07/962284207.db2.gz LUGMEQBYAIBJCW-UHFFFAOYSA-N 1 0 421.585 3.968 50 0 HHAARO COc1ccc(C(=O)NC2CC2)c(OC2CC[NH+](C[C@H]3CCOC(C)(C)C3)CC2)c1 ZINC000012474876 962285922 /nfs/dbraw/zinc/28/59/22/962285922.db2.gz HKULRZNSIOJKQI-KRWDZBQOSA-N 1 0 416.562 3.636 50 0 HHAARO C[N@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000012571643 962293119 /nfs/dbraw/zinc/29/31/19/962293119.db2.gz IZBOBCVICSPNKG-QHCPKHFHSA-N 1 0 405.542 3.593 50 0 HHAARO CCn1cc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c(C)n1 ZINC000012708730 962315582 /nfs/dbraw/zinc/31/55/82/962315582.db2.gz BWGASRSRGOFNDJ-OAQYLSRUSA-N 1 0 410.606 3.539 50 0 HHAARO CCc1ccc([C@H](CNC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000012975332 962357826 /nfs/dbraw/zinc/35/78/26/962357826.db2.gz YWEMAOONTUSLNX-LJJIPZOBSA-N 1 0 405.542 3.808 50 0 HHAARO CCc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C2Cc4ccccc4C2)C(=O)N3CC)o1 ZINC000014531927 962525125 /nfs/dbraw/zinc/52/51/25/962525125.db2.gz OQEFQDKZXBJQPZ-UHFFFAOYSA-N 1 0 421.541 3.628 50 0 HHAARO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]C1CCCCCCC1)C2 ZINC000014744886 962566249 /nfs/dbraw/zinc/56/62/49/962566249.db2.gz OJRBNWDORJBTIP-SFHVURJKSA-N 1 0 404.624 3.652 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)CCn2cccn2)CC1 ZINC000014970906 962615348 /nfs/dbraw/zinc/61/53/48/962615348.db2.gz PNCYLXRDJAVJKY-UHFFFAOYSA-N 1 0 412.578 3.679 50 0 HHAARO O=C(CCn1cccn1)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000015073096 962647305 /nfs/dbraw/zinc/64/73/05/962647305.db2.gz ONNHZAKHNMOQMM-JOCHJYFZSA-N 1 0 409.578 3.742 50 0 HHAARO c1[nH]nc(-c2cccc3ccccc32)c1C[NH2+]C[C@@H](c1ccccn1)N1CCOCC1 ZINC000019636809 963372242 /nfs/dbraw/zinc/37/22/42/963372242.db2.gz TYKAIDIEXITFKZ-DEOSSOPVSA-N 1 0 413.525 3.788 50 0 HHAARO Cc1cc(C[NH2+][C@@H]2CCc3c(sc4ncn(CC5CCCCC5)c(=O)c34)C2)on1 ZINC000019742401 963373902 /nfs/dbraw/zinc/37/39/02/963373902.db2.gz DTUJLPRLHUCRPQ-MRXNPFEDSA-N 1 0 412.559 3.982 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+]([C@H](C)Cc3ccc(C)cc3)CC2)c1 ZINC000020168205 963385272 /nfs/dbraw/zinc/38/52/72/963385272.db2.gz DFSQYLVOLGGJLQ-HXUWFJFHSA-N 1 0 410.558 3.846 50 0 HHAARO O=C(/C=C/c1sc2ccccc2c1Cl)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000022912370 963738280 /nfs/dbraw/zinc/73/82/80/963738280.db2.gz IGNRMWHYMAAMFG-BQYQJAHWSA-N 1 0 403.979 3.808 50 0 HHAARO CNc1cc(C)[nH+]c(N2CCc3[nH]nc(-c4ccc(C(F)(F)F)nc4C)c3C2)n1 ZINC000023541379 963849511 /nfs/dbraw/zinc/84/95/11/963849511.db2.gz UMRCTVIDVIZMPK-UHFFFAOYSA-N 1 0 403.412 3.502 50 0 HHAARO C[N@H+](CCn1ccnc1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000055090669 965751600 /nfs/dbraw/zinc/75/16/00/965751600.db2.gz FEJXYPRAEFVQFP-UHFFFAOYSA-N 1 0 401.470 3.597 50 0 HHAARO O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000096940638 969058555 /nfs/dbraw/zinc/05/85/55/969058555.db2.gz QMESPOBNCNYCAP-FNUUXAGOSA-N 1 0 409.555 3.841 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)/C=C\c3ccc(NC(C)=O)cc3)c(C)c2)CC1 ZINC000096973371 969069773 /nfs/dbraw/zinc/06/97/73/969069773.db2.gz CVKKKZRVMDHOCS-GHXNOFRVSA-N 1 0 406.530 3.747 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@@H](COc3ccccc3C(=O)NC3CC3)C2)c(OC)c1 ZINC000169775433 970478085 /nfs/dbraw/zinc/47/80/85/970478085.db2.gz LNNCLLMEPFWAEH-GOSISDBHSA-N 1 0 424.541 3.887 50 0 HHAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCCC(=O)N1Cc1ccccc1 ZINC000169780852 970480747 /nfs/dbraw/zinc/48/07/47/970480747.db2.gz CWZSDTMTBDGRCL-XMMPIXPASA-N 1 0 419.569 3.522 50 0 HHAARO COCCO[C@H]1C[N@H+](C2CCN(Cc3ccc(F)c(F)c3)CC2)C12CCCCC2 ZINC000257183674 970620692 /nfs/dbraw/zinc/62/06/92/970620692.db2.gz SCUFDYWKLANQIW-QFIPXVFZSA-N 1 0 408.533 3.979 50 0 HHAARO Cc1nnc([C@H]2CC3(CN2Cc2cccnc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257189833 970623702 /nfs/dbraw/zinc/62/37/02/970623702.db2.gz KCAOKVTXZMWICU-OAQYLSRUSA-N 1 0 417.513 3.643 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc2ccccc21 ZINC000299787143 970723429 /nfs/dbraw/zinc/72/34/29/970723429.db2.gz RVVUDQCWXVHUIV-QPPBQGQZSA-N 1 0 423.507 3.987 50 0 HHAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000004711741 132285378 /nfs/dbraw/zinc/28/53/78/132285378.db2.gz WDVMEJAPRARUTG-UHFFFAOYSA-N 1 0 415.921 3.911 50 0 HHAARO O=C1C[C@@H]([C@H]2CCCC=C2[NH+]2CCCCC2)C(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000005015889 132298239 /nfs/dbraw/zinc/29/82/39/132298239.db2.gz PRWLXEWVCXUWJE-YADHBBJMSA-N 1 0 423.557 3.573 50 0 HHAARO CSc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3F)CC2)cc1 ZINC000005050077 132299453 /nfs/dbraw/zinc/29/94/53/132299453.db2.gz ACLPGRMEXAUBOL-UHFFFAOYSA-N 1 0 402.539 3.881 50 0 HHAARO CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(C)cc3)CC1)n2C ZINC000005694763 132307539 /nfs/dbraw/zinc/30/75/39/132307539.db2.gz JDGDIOCIMKPSGV-UHFFFAOYSA-N 1 0 419.573 3.985 50 0 HHAARO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000007251293 132323149 /nfs/dbraw/zinc/32/31/49/132323149.db2.gz UYZHSLJMORGCAP-HXUWFJFHSA-N 1 0 420.479 3.530 50 0 HHAARO CC[C@H](C)C[NH2+]C1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000011783486 132350568 /nfs/dbraw/zinc/35/05/68/132350568.db2.gz BHJGQJKOPPBAOG-SFHVURJKSA-N 1 0 423.557 3.950 50 0 HHAARO O=C([C@@H]1CC12CC[NH+](C1Cc3ccccc3C1)CC2)N1CCN(c2ccccc2)CC1 ZINC000012165528 132355680 /nfs/dbraw/zinc/35/56/80/132355680.db2.gz AXMUNCSOQUGCCY-VWLOTQADSA-N 1 0 415.581 3.605 50 0 HHAARO C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc(NC(=O)c3cnccn3)cc2)CC1 ZINC000012455940 132360873 /nfs/dbraw/zinc/36/08/73/132360873.db2.gz OCDZWKQZXMPSGF-QGZVFWFLSA-N 1 0 421.570 3.980 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ccc(-c3ccc(C)cc3)nn2)C1 ZINC000035398069 132801494 /nfs/dbraw/zinc/80/14/94/132801494.db2.gz WYJLTLAGKVAOMD-NRFANRHFSA-N 1 0 409.578 3.517 50 0 HHAARO CC[NH+](CC)[C@H](Cn1cnc2c3c(sc2c1=O)SCC(=O)N3)c1ccccc1 ZINC000032624544 520869460 /nfs/dbraw/zinc/86/94/60/520869460.db2.gz BKCQFXAIASCRGX-CQSZACIVSA-N 1 0 414.556 3.585 50 0 HHAARO CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000032930756 520940532 /nfs/dbraw/zinc/94/05/32/520940532.db2.gz QFXCTELSOMCKJL-GHTZIAJQSA-N 1 0 401.551 3.546 50 0 HHAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000032870715 521114988 /nfs/dbraw/zinc/11/49/88/521114988.db2.gz LQIWFSIXVHEJKL-LJQANCHMSA-N 1 0 408.498 3.521 50 0 HHAARO CCC(CC)[N@H+](C)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000032777929 521543165 /nfs/dbraw/zinc/54/31/65/521543165.db2.gz KODWQPIMQVNTLG-UHFFFAOYSA-N 1 0 409.596 3.619 50 0 HHAARO CCc1c(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH]c(C)c1C(C)=O ZINC000052690835 523696439 /nfs/dbraw/zinc/69/64/39/523696439.db2.gz ICRLCTHUHFHTNU-IYBDPMFKSA-N 1 0 411.546 3.627 50 0 HHAARO COc1ccc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c(F)c1 ZINC000020535047 524027445 /nfs/dbraw/zinc/02/74/45/524027445.db2.gz XYSGTLPXNKOAIN-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO CCc1ccc([C@H](CNC(=O)CSCC(=O)Nc2ccc(C)cc2)[NH+](C)C)cc1 ZINC000032733178 524048963 /nfs/dbraw/zinc/04/89/63/524048963.db2.gz KRASWHYYRRYMAB-NRFANRHFSA-N 1 0 413.587 3.648 50 0 HHAARO C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1c(=O)oc2ccccc21 ZINC000032888462 524169033 /nfs/dbraw/zinc/16/90/33/524169033.db2.gz YWEAGEKUBZQGBL-HNNXBMFYSA-N 1 0 413.905 3.590 50 0 HHAARO COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)ccc2c1 ZINC000032873918 525636373 /nfs/dbraw/zinc/63/63/73/525636373.db2.gz XXEBUUYOEFFTLT-QGZVFWFLSA-N 1 0 404.514 3.737 50 0 HHAARO c1c(COc2ccc(C[NH2+]CCc3ccc4c(c3)OCO4)cc2)nc2ccccn12 ZINC000028313142 526401628 /nfs/dbraw/zinc/40/16/28/526401628.db2.gz CUQIZKSJQYTRIF-UHFFFAOYSA-N 1 0 401.466 3.974 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000002441865 557347907 /nfs/dbraw/zinc/34/79/07/557347907.db2.gz DJHYDSZCFLEUJY-UHFFFAOYSA-N 1 0 405.527 3.824 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000002853602 557405921 /nfs/dbraw/zinc/40/59/21/557405921.db2.gz WCAFMGZKRJYAQQ-SFHVURJKSA-N 1 0 400.837 3.692 50 0 HHAARO COCCN(C[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740504 557443744 /nfs/dbraw/zinc/44/37/44/557443744.db2.gz QHTQETRUAUTZJL-SIKLNZKXSA-N 1 0 401.526 3.500 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2ccccc2C)n1 ZINC000034911942 557478423 /nfs/dbraw/zinc/47/84/23/557478423.db2.gz VFTUZIQWQZCSJC-OAQYLSRUSA-N 1 0 417.557 3.575 50 0 HHAARO Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314 ZINC000003802871 557498833 /nfs/dbraw/zinc/49/88/33/557498833.db2.gz WIYUZYBFCWCCQJ-IFKAHUTRSA-N 1 0 414.505 3.573 50 0 investigational HHAARO O=C1C[C@@H]([C@@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000005015825 557626024 /nfs/dbraw/zinc/62/60/24/557626024.db2.gz KOJFHACVEAYTSQ-IRXDYDNUSA-N 1 0 408.420 3.601 50 0 HHAARO O[C@H](C[NH2+]C(c1ccccc1)c1ccccc1)COc1ccc(-c2nnco2)cc1 ZINC000005646984 557666296 /nfs/dbraw/zinc/66/62/96/557666296.db2.gz ABNFXKHGHIDLGX-OAQYLSRUSA-N 1 0 401.466 3.856 50 0 HHAARO O=C(c1cccc(COc2ccc(Br)cc2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000006057737 557685521 /nfs/dbraw/zinc/68/55/21/557685521.db2.gz IFIFQGABMMIPOV-IBGZPJMESA-N 1 0 415.331 3.948 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000006767741 557720576 /nfs/dbraw/zinc/72/05/76/557720576.db2.gz RRGBTUMQHCJITR-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO Cc1cc(O)c([C@@H](c2ccncc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000022698125 557782053 /nfs/dbraw/zinc/78/20/53/557782053.db2.gz CBGYRBKDKKUAFX-HSZRJFAPSA-N 1 0 404.514 3.522 50 0 HHAARO Cc1ccc([C@@H]2[NH+]=C(NCCc3c[nH]c4ccccc34)Nc3nc(C)cc(=O)n32)cc1 ZINC000009936905 557851931 /nfs/dbraw/zinc/85/19/31/557851931.db2.gz YMQNPZFCWGMKDX-JOCHJYFZSA-N 1 0 412.497 3.502 50 0 HHAARO Cc1nccn1CCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011663370 558267021 /nfs/dbraw/zinc/26/70/21/558267021.db2.gz IWAHKNGKXRPBQA-FQEVSTJZSA-N 1 0 402.970 3.648 50 0 HHAARO COc1cc(C)c(C[NH+]2CCC(n3nccc3NC(=O)c3cccnc3)CC2)cc1C ZINC000011816282 558279502 /nfs/dbraw/zinc/27/95/02/558279502.db2.gz GAJDWDAIKRSXRJ-UHFFFAOYSA-N 1 0 419.529 3.993 50 0 HHAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2cccc(OC)c2OC)oc1C ZINC000011817605 558280890 /nfs/dbraw/zinc/28/08/90/558280890.db2.gz VMAFMSMIALRPPG-MRXNPFEDSA-N 1 0 402.491 3.975 50 0 HHAARO C[C@@H](NC(=O)CCc1ccccc1)c1nnc2n1CC[N@@H+](CC1CCCCC1)CC2 ZINC000019781896 558281313 /nfs/dbraw/zinc/28/13/13/558281313.db2.gz OSAZWIGVQVQFPI-LJQANCHMSA-N 1 0 409.578 3.527 50 0 HHAARO COc1cccc(-c2n[nH]cc2C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000011820299 558283562 /nfs/dbraw/zinc/28/35/62/558283562.db2.gz CGLWRPHFKACCDM-FQEVSTJZSA-N 1 0 404.514 3.822 50 0 HHAARO O=S(=O)(NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1)c1cccc2cccnc21 ZINC000011879234 558294003 /nfs/dbraw/zinc/29/40/03/558294003.db2.gz NBHNZGBDSRQDCF-VMLCMGRWSA-N 1 0 421.566 3.939 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC ZINC000011879492 558294149 /nfs/dbraw/zinc/29/41/49/558294149.db2.gz LLGFYAVIOQSWRY-RUZDIDTESA-N 1 0 408.542 3.761 50 0 HHAARO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3OC)C2)cc1F ZINC000011879611 558294184 /nfs/dbraw/zinc/29/41/84/558294184.db2.gz MDQHNCAPICFHBF-SFHVURJKSA-N 1 0 414.521 3.870 50 0 HHAARO Clc1ccc(-c2n[nH]cc2C[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)cc1 ZINC000019853501 558296148 /nfs/dbraw/zinc/29/61/48/558296148.db2.gz WYKVNGCUZSPEBW-UHFFFAOYSA-N 1 0 418.932 3.971 50 0 HHAARO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]CCc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000019889607 558302537 /nfs/dbraw/zinc/30/25/37/558302537.db2.gz ZHUXHACFDJNFOL-GOSISDBHSA-N 1 0 407.297 3.856 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccc2cc[nH]c2c1 ZINC000011973521 558305316 /nfs/dbraw/zinc/30/53/16/558305316.db2.gz SRRFOSLDBCTSQK-NRFANRHFSA-N 1 0 404.514 3.507 50 0 HHAARO COc1ccc2[nH]c(C(=O)N(C)[C@@H]3CCC[N@@H+](C4Cc5ccccc5C4)C3)cc2c1 ZINC000012022967 558309639 /nfs/dbraw/zinc/30/96/39/558309639.db2.gz CNSWBOOMQXSKLS-HXUWFJFHSA-N 1 0 403.526 3.880 50 0 HHAARO Cc1ncoc1C(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](Cc2ccccc2C)CC1 ZINC000012030596 558311070 /nfs/dbraw/zinc/31/10/70/558311070.db2.gz QZDGNTTUDNKKMO-QFIPXVFZSA-N 1 0 411.546 3.825 50 0 HHAARO Cc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3)N(C)C(=O)c3ccn(C)n3)CC2)o1 ZINC000012054791 558315411 /nfs/dbraw/zinc/31/54/11/558315411.db2.gz PRDWOIUOIQIZSD-XMMPIXPASA-N 1 0 420.557 3.917 50 0 HHAARO C[C@H](Cc1cnccn1)NC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000012074810 558319239 /nfs/dbraw/zinc/31/92/39/558319239.db2.gz WKAKEUUHPAEUEZ-GOSISDBHSA-N 1 0 410.562 3.727 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCOc2nonc2C)cc1 ZINC000012203633 558352017 /nfs/dbraw/zinc/35/20/17/558352017.db2.gz XSGQMQPZDRYQBC-UHFFFAOYSA-N 1 0 423.448 3.547 50 0 HHAARO COC[C@H]1CCN(C(=O)c2ccc(OC3CC[NH+](C4CCCC4)CC3)c(OC)c2)C1 ZINC000012204790 558352311 /nfs/dbraw/zinc/35/23/11/558352311.db2.gz OEIUPZSVJZNHDV-SFHVURJKSA-N 1 0 416.562 3.590 50 0 HHAARO CCCCCCOc1ccc(/C=C2/SC(=O)N(CN3CC[NH+](C)CC3)C2=O)cc1 ZINC000020265962 558352728 /nfs/dbraw/zinc/35/27/28/558352728.db2.gz QOKOGYCGSMGSPI-CAPFRKAQSA-N 1 0 417.575 3.887 50 0 HHAARO Cc1c(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020472437 558374058 /nfs/dbraw/zinc/37/40/58/558374058.db2.gz DHPXLLJFSCFCJR-OAQYLSRUSA-N 1 0 424.976 3.892 50 0 HHAARO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000012315936 558379382 /nfs/dbraw/zinc/37/93/82/558379382.db2.gz OAVFQBUNNXJICK-QHCPKHFHSA-N 1 0 402.542 3.833 50 0 HHAARO Cc1cccc(C[NH+]2CCC(n3nccc3NC(=O)CCOc3ccccc3)CC2)n1 ZINC000012320026 558381901 /nfs/dbraw/zinc/38/19/01/558381901.db2.gz SZLPEWJFJSABAC-UHFFFAOYSA-N 1 0 419.529 3.831 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2c(C)cccc2C)C1=O ZINC000020533530 558384969 /nfs/dbraw/zinc/38/49/69/558384969.db2.gz NLQIWBDDKSQIEE-NDWLXSOOSA-N 1 0 403.526 3.905 50 0 HHAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000022929750 558388322 /nfs/dbraw/zinc/38/83/22/558388322.db2.gz FXJKWYBDDUQGLV-UHFFFAOYSA-N 1 0 407.436 3.732 50 0 HHAARO CC[N@@H+](Cc1ccc(OCCO)cc1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012387486 558396520 /nfs/dbraw/zinc/39/65/20/558396520.db2.gz NQWJUTVKELRZBZ-HSZRJFAPSA-N 1 0 414.565 3.973 50 0 HHAARO CCC[C@H]1C[C@H]1C(=O)N(Cc1ccncc1)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000012431839 558406085 /nfs/dbraw/zinc/40/60/85/558406085.db2.gz DZBLYVQRGAEDPV-LADGPHEKSA-N 1 0 412.622 3.653 50 0 HHAARO CC(=O)Nc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)c1 ZINC000012431989 558406544 /nfs/dbraw/zinc/40/65/44/558406544.db2.gz AQTPMDKUARGKSZ-RUZDIDTESA-N 1 0 405.542 3.816 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000012432946 558407021 /nfs/dbraw/zinc/40/70/21/558407021.db2.gz SDXUSSIYJXKPSX-HXUWFJFHSA-N 1 0 405.608 3.543 50 0 HHAARO C/C(=C\c1ccco1)CN1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1 ZINC000012435980 558408811 /nfs/dbraw/zinc/40/88/11/558408811.db2.gz ZHNCGAIABHHYKB-LVZFUZTISA-N 1 0 422.573 3.571 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)cc1CO ZINC000012439614 558411023 /nfs/dbraw/zinc/41/10/23/558411023.db2.gz SFOWJLJQRVAIDN-GOSISDBHSA-N 1 0 401.478 3.820 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CCC(=O)N(C)CCc3ccccn3)C2)c1 ZINC000020821166 558416795 /nfs/dbraw/zinc/41/67/95/558416795.db2.gz MLLKSGHPZNWZPF-IBGZPJMESA-N 1 0 413.537 3.923 50 0 HHAARO COc1ccc(F)c(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1 ZINC000012457896 558418039 /nfs/dbraw/zinc/41/80/39/558418039.db2.gz QKWDQONQIIRBHX-UHFFFAOYSA-N 1 0 400.498 3.997 50 0 HHAARO COc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Cc4csc(C)n4)C3)C2)c1 ZINC000012464511 558420179 /nfs/dbraw/zinc/42/01/79/558420179.db2.gz NOPYWVSREOIVNE-JOCHJYFZSA-N 1 0 417.550 3.656 50 0 HHAARO COc1cc(C)ccc1OCc1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)no1 ZINC000012576815 558431079 /nfs/dbraw/zinc/43/10/79/558431079.db2.gz VYLWYOFTSUTHAG-UHFFFAOYSA-N 1 0 413.518 3.661 50 0 HHAARO Cc1noc(C)c1CCC(=O)N(C)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012580287 558432353 /nfs/dbraw/zinc/43/23/53/558432353.db2.gz KYESBMAEURVJAR-UHFFFAOYSA-N 1 0 401.526 3.776 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 ZINC000021212879 558433862 /nfs/dbraw/zinc/43/38/62/558433862.db2.gz RCMXMSUKNDCXNO-UHFFFAOYSA-N 1 0 422.529 3.628 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3F)CC2)c(Cl)c1 ZINC000012584803 558433924 /nfs/dbraw/zinc/43/39/24/558433924.db2.gz YYRDIEBOSSGNFO-UHFFFAOYSA-N 1 0 420.912 3.899 50 0 HHAARO CCCn1ncc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C ZINC000012596346 558438001 /nfs/dbraw/zinc/43/80/01/558438001.db2.gz QMORCQAOTCEDPH-UHFFFAOYSA-N 1 0 410.562 3.881 50 0 HHAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccc(Cl)cc2s1 ZINC000004359196 558449454 /nfs/dbraw/zinc/44/94/54/558449454.db2.gz SPFODEXMJDIVPK-QGZVFWFLSA-N 1 0 417.918 3.684 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1 ZINC000021807535 558450728 /nfs/dbraw/zinc/45/07/28/558450728.db2.gz XYHVSWJXZOASJB-HXUWFJFHSA-N 1 0 421.497 3.926 50 0 HHAARO C[NH+](C)CCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2c(cccc2Cl)s1 ZINC000004359329 558451096 /nfs/dbraw/zinc/45/10/96/558451096.db2.gz SDQTXEFETJACSW-MRXNPFEDSA-N 1 0 417.918 3.684 50 0 HHAARO C[N@@H+]1CCC[C@@]2(CCCN(Cc3nc(Cc4cccc(C(F)(F)F)c4)no3)C2)C1 ZINC000012715668 558455151 /nfs/dbraw/zinc/45/51/51/558455151.db2.gz DFZYFWYFYCQVCS-HXUWFJFHSA-N 1 0 408.468 3.987 50 0 HHAARO Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)nc21 ZINC000004359711 558456781 /nfs/dbraw/zinc/45/67/81/558456781.db2.gz UZKMJROSARXQHQ-UHFFFAOYSA-N 1 0 411.527 3.974 50 0 HHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000012758134 558460366 /nfs/dbraw/zinc/46/03/66/558460366.db2.gz WYVPEXMACNBIIY-UHFFFAOYSA-N 1 0 420.981 3.930 50 0 HHAARO CCc1ccc([C@H](CNC(=O)C2CCN(C(=O)c3cccs3)CC2)[NH+](C)C)cc1 ZINC000012971994 558489248 /nfs/dbraw/zinc/48/92/48/558489248.db2.gz KDMNCJGBOXYXRM-FQEVSTJZSA-N 1 0 413.587 3.582 50 0 HHAARO C[C@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NC(=O)c1ccccc1 ZINC000022619699 558503051 /nfs/dbraw/zinc/50/30/51/558503051.db2.gz MARZVFGFFSPATJ-UTKZUKDTSA-N 1 0 413.949 3.802 50 0 HHAARO Cc1cc(C)n2c(nc(=S)n2CN2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000022775034 558509437 /nfs/dbraw/zinc/50/94/37/558509437.db2.gz LCVKJLJNPHJNKY-UHFFFAOYSA-N 1 0 410.591 3.776 50 0 HHAARO C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022912714 558520071 /nfs/dbraw/zinc/52/00/71/558520071.db2.gz BCXBTHIQRSOAPV-KRWDZBQOSA-N 1 0 416.363 3.636 50 0 HHAARO O=C(NCc1cccnc1)C1CC[NH+](C2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000023339628 558550241 /nfs/dbraw/zinc/55/02/41/558550241.db2.gz AIOYQLWQSZFKPY-WEVVVXLNSA-N 1 0 418.585 3.588 50 0 HHAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@@H+]1C1CCCCC1 ZINC000023358106 558551492 /nfs/dbraw/zinc/55/14/92/558551492.db2.gz QWEXDTVSFOLJSD-HXUWFJFHSA-N 1 0 402.970 3.727 50 0 HHAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccc(Cl)cc4)nc3c12 ZINC000013628435 558551770 /nfs/dbraw/zinc/55/17/70/558551770.db2.gz LEDOJJWZIQGWFZ-UHFFFAOYSA-N 1 0 424.936 3.739 50 0 HHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013636650 558554718 /nfs/dbraw/zinc/55/47/18/558554718.db2.gz PONQJXXFDOLPEL-SFHVURJKSA-N 1 0 412.505 3.906 50 0 HHAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000013768263 558591208 /nfs/dbraw/zinc/59/12/08/558591208.db2.gz ZVKBSENSURYYII-QPTUXGOLSA-N 1 0 400.563 3.812 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1)O[C@H](C)C2 ZINC000024763081 558611285 /nfs/dbraw/zinc/61/12/85/558611285.db2.gz SFCMUGLNFWUXPT-VQIMIIECSA-N 1 0 402.560 3.633 50 0 HHAARO O=C(Cn1c2ccccc2nc1C(F)(F)F)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000014067499 558616767 /nfs/dbraw/zinc/61/67/67/558616767.db2.gz DFLZVRPVGIDGHK-MRXNPFEDSA-N 1 0 406.408 3.601 50 0 HHAARO O=C(CCN1C(=O)CSc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000014075555 558617864 /nfs/dbraw/zinc/61/78/64/558617864.db2.gz CXEGVMFSVWISLP-UHFFFAOYSA-N 1 0 415.603 3.820 50 0 HHAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014138855 558624573 /nfs/dbraw/zinc/62/45/73/558624573.db2.gz PDCPZSHPWZBTBO-HSZRJFAPSA-N 1 0 402.542 3.861 50 0 HHAARO Cc1c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cnn1-c1ccc(C(F)(F)F)cn1 ZINC000025332464 558638684 /nfs/dbraw/zinc/63/86/84/558638684.db2.gz PVVJPSVXBPBHNQ-INIZCTEOSA-N 1 0 423.464 3.689 50 0 HHAARO C[C@H]1Sc2ccc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)cc2NC1=O ZINC000014226681 558638839 /nfs/dbraw/zinc/63/88/39/558638839.db2.gz WWXBMDSNJLUCQZ-CJNGLKHVSA-N 1 0 401.557 3.748 50 0 HHAARO Cc1cnccc1CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000012448582 558642377 /nfs/dbraw/zinc/64/23/77/558642377.db2.gz YLHBMFSCWWXNBT-UHFFFAOYSA-N 1 0 416.525 3.758 50 0 HHAARO COc1cccc(NC(=O)[C@H]([NH2+]CCc2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000025697759 558648220 /nfs/dbraw/zinc/64/82/20/558648220.db2.gz RHAYHJBPEFNKRX-HSZRJFAPSA-N 1 0 404.466 3.936 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2CCc1ccccc1 ZINC000014543518 558661017 /nfs/dbraw/zinc/66/10/17/558661017.db2.gz MHUPHIYDTQVUNO-HXUWFJFHSA-N 1 0 420.557 3.722 50 0 HHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014745829 558668942 /nfs/dbraw/zinc/66/89/42/558668942.db2.gz MOZOACKSJKSKOC-UHFFFAOYSA-N 1 0 406.530 3.537 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000014752575 558671151 /nfs/dbraw/zinc/67/11/51/558671151.db2.gz JLWYUIFEFVLQKA-QGZVFWFLSA-N 1 0 416.516 3.845 50 0 HHAARO CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)o2)cc1 ZINC000014810324 558673714 /nfs/dbraw/zinc/67/37/14/558673714.db2.gz CNQKPSCCJLDNBP-UHFFFAOYSA-N 1 0 404.470 3.548 50 0 HHAARO Cc1nc(C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)cs1 ZINC000014879507 558675568 /nfs/dbraw/zinc/67/55/68/558675568.db2.gz OCMDBIPWJRLCMI-SFHVURJKSA-N 1 0 403.523 3.534 50 0 HHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)C1 ZINC000014886876 558677509 /nfs/dbraw/zinc/67/75/09/558677509.db2.gz HNRMMZVZMPYPBP-QGZVFWFLSA-N 1 0 424.574 3.564 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1ccoc1C ZINC000014964040 558685145 /nfs/dbraw/zinc/68/51/45/558685145.db2.gz ZHXSEESTFSMNDG-UHFFFAOYSA-N 1 0 400.519 3.597 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccccc2C(C)=O)C1 ZINC000014972318 558687847 /nfs/dbraw/zinc/68/78/47/558687847.db2.gz DHCIPRKTRHLGMD-FQEVSTJZSA-N 1 0 408.542 3.925 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC ZINC000014980167 558690819 /nfs/dbraw/zinc/69/08/19/558690819.db2.gz FTUICHASAHRRDU-FQEVSTJZSA-N 1 0 414.468 3.861 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)CCc1ccncc1 ZINC000014981396 558691920 /nfs/dbraw/zinc/69/19/20/558691920.db2.gz XIMXRQADDGDBMR-UHFFFAOYSA-N 1 0 413.537 3.541 50 0 HHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](CC(C)C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000014996697 558696312 /nfs/dbraw/zinc/69/63/12/558696312.db2.gz SVFMORRGCMIXQU-HXUWFJFHSA-N 1 0 421.545 3.755 50 0 HHAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccc(C(F)(F)F)c1)CCO2 ZINC000014999868 558697232 /nfs/dbraw/zinc/69/72/32/558697232.db2.gz FFLFRZMXDFHKMH-OAQYLSRUSA-N 1 0 408.464 3.869 50 0 HHAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(CCNC(=O)c3ccc(C)cc3)n2CC1 ZINC000015000424 558697645 /nfs/dbraw/zinc/69/76/45/558697645.db2.gz WWIKWSYPAUSTHD-NRFANRHFSA-N 1 0 423.605 3.800 50 0 HHAARO Cc1ncc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4ccccn4)c3)CC2)s1 ZINC000015063333 558705865 /nfs/dbraw/zinc/70/58/65/558705865.db2.gz WFKJRRAMUBOXTE-UHFFFAOYSA-N 1 0 422.554 3.820 50 0 HHAARO Cc1ccc(-c2nc(CC(=O)Nc3ccc(N4CC[NH+](C)CC4)cc3C)cs2)o1 ZINC000028877378 558706388 /nfs/dbraw/zinc/70/63/88/558706388.db2.gz YSFVUVGZLCKJOK-UHFFFAOYSA-N 1 0 410.543 3.953 50 0 HHAARO OC1CC[NH+]([C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2O)CC1 ZINC000015067114 558709952 /nfs/dbraw/zinc/70/99/52/558709952.db2.gz OZSVQULOVJIIKH-DHIUTWEWSA-N 1 0 416.949 3.524 50 0 HHAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2C2CCCCC2)CC1)NC[C@H]1CCCO1 ZINC000015068059 558710716 /nfs/dbraw/zinc/71/07/16/558710716.db2.gz OOSUNLBVPLJBJO-OAQYLSRUSA-N 1 0 402.583 3.745 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)c1occc1C ZINC000015074081 558714681 /nfs/dbraw/zinc/71/46/81/558714681.db2.gz YTVXBHYWPSOCFK-UHFFFAOYSA-N 1 0 400.519 3.597 50 0 HHAARO COc1cc(C[C@@H]2CC(C[NH2+]Cc3cccc(Cl)c3)=NO2)c(OC)c2c1OCO2 ZINC000015081367 558718961 /nfs/dbraw/zinc/71/89/61/558718961.db2.gz VMMKYXAPKKMPHY-QGZVFWFLSA-N 1 0 418.877 3.563 50 0 HHAARO COc1cc(C[C@@H]2CC(C[NH2+]CCc3c(C)[nH]c4ccccc43)=NO2)cc2c1OCO2 ZINC000015085755 558720411 /nfs/dbraw/zinc/72/04/11/558720411.db2.gz XSVUKSGTMASBLX-GOSISDBHSA-N 1 0 421.497 3.733 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(NC(=O)c3noc4c3CCc3sccc3-4)cc2)CC1 ZINC000022937403 558724885 /nfs/dbraw/zinc/72/48/85/558724885.db2.gz OTDPKDBRAMPBPS-UHFFFAOYSA-N 1 0 422.554 3.892 50 0 HHAARO Cc1cccc(COc2cccc(C(=O)Nc3ccc(N4CC[NH+](C)CC4)nc3)c2)c1 ZINC000030031261 558726752 /nfs/dbraw/zinc/72/67/52/558726752.db2.gz GCKABPUEMIAOLV-UHFFFAOYSA-N 1 0 416.525 3.973 50 0 HHAARO CCOc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015372310 558736326 /nfs/dbraw/zinc/73/63/26/558736326.db2.gz OAQWZJCOBXPJGK-JOCHJYFZSA-N 1 0 424.541 3.824 50 0 HHAARO CC(=O)Nc1ccc(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)cc1 ZINC000023282443 558781915 /nfs/dbraw/zinc/78/19/15/558781915.db2.gz YOYDHJZBGIBPGU-UHFFFAOYSA-N 1 0 403.320 3.891 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cnn2c1nccc2-c1ccccc1 ZINC000034786203 558784013 /nfs/dbraw/zinc/78/40/13/558784013.db2.gz FEZZUJCXRGPNHF-UHFFFAOYSA-N 1 0 411.509 3.791 50 0 HHAARO O=C(C1=C2C(O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2CCCN12)c1ccccc1 ZINC000034847950 558784735 /nfs/dbraw/zinc/78/47/35/558784735.db2.gz BLCPEXMPCDNOHR-ODAXIHTASA-N 1 0 410.473 3.675 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)[nH+]1 ZINC000017012194 558811633 /nfs/dbraw/zinc/81/16/33/558811633.db2.gz KUWALPZXYIRPKP-UHFFFAOYSA-N 1 0 417.916 3.530 50 0 HHAARO Cc1cc(C)c(C(=O)N2CCC(CC(=O)NCC[C@@H](C)[NH+]3CCCCCC3)CC2)[nH]1 ZINC000033024370 558841656 /nfs/dbraw/zinc/84/16/56/558841656.db2.gz ZQAQRCUFHMQXPA-HXUWFJFHSA-N 1 0 416.610 3.645 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000055037205 558870358 /nfs/dbraw/zinc/87/03/58/558870358.db2.gz VWJJGOLTXOHWRE-FQEVSTJZSA-N 1 0 412.509 3.653 50 0 HHAARO CSCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055037120 558870440 /nfs/dbraw/zinc/87/04/40/558870440.db2.gz AKFQZPKAIISOFW-GOSISDBHSA-N 1 0 415.525 3.572 50 0 HHAARO COCCn1c(-c2ccc(F)cc2)c[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000004679234 558890228 /nfs/dbraw/zinc/89/02/28/558890228.db2.gz VDOKAEMZRCERFG-UHFFFAOYSA-N 1 0 415.465 3.974 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccsc1 ZINC000057986437 558892505 /nfs/dbraw/zinc/89/25/05/558892505.db2.gz IIQIZWIYHKCJSS-FQEVSTJZSA-N 1 0 412.559 3.739 50 0 HHAARO CSc1ccc(Cl)c(C(=O)NCc2ccc(N3CCC[N@H+](C)CC3)nc2)c1 ZINC000058101573 558899102 /nfs/dbraw/zinc/89/91/02/558899102.db2.gz GADVQZWRBNBYMM-UHFFFAOYSA-N 1 0 404.967 3.529 50 0 HHAARO COc1ccc(CC[NH2+]C[C@@H](O)c2cccc(Br)c2)c(Cl)c1OC ZINC000004689991 558899615 /nfs/dbraw/zinc/89/96/15/558899615.db2.gz GAKKCKOWLURTEK-OAHLLOKOSA-N 1 0 414.727 3.985 50 0 HHAARO O=S(=O)(c1ccccc1F)N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058158608 558903783 /nfs/dbraw/zinc/90/37/83/558903783.db2.gz BFVNUDSALSSJKX-FPOVZHCZSA-N 1 0 402.535 3.891 50 0 HHAARO COc1cccc([C@@H](CNC(=O)N2CCc3cc(Br)ccc32)[NH+](C)C)c1 ZINC000058163197 558906494 /nfs/dbraw/zinc/90/64/94/558906494.db2.gz WWQIOPIUYFPNJP-LJQANCHMSA-N 1 0 418.335 3.833 50 0 HHAARO COc1cc(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)cc(OC)c1OC ZINC000058171581 558908296 /nfs/dbraw/zinc/90/82/96/558908296.db2.gz CAEGEPPQUFGMNF-UHFFFAOYSA-N 1 0 412.530 3.874 50 0 HHAARO CCC[N@H+](Cc1cc(=O)n2cc(C)ccc2n1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000058282167 558916408 /nfs/dbraw/zinc/91/64/08/558916408.db2.gz SZRAEKPEZZEFRO-HSZRJFAPSA-N 1 0 404.558 3.880 50 0 HHAARO Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000033250206 558919026 /nfs/dbraw/zinc/91/90/26/558919026.db2.gz NOHBDFFJBWKOCJ-UHFFFAOYSA-N 1 0 411.550 3.612 50 0 HHAARO COc1ccc(NC(=O)NCCNc2nc(N3CCCCC3)cc(C)[nH+]2)cc1Cl ZINC000072117414 558927299 /nfs/dbraw/zinc/92/72/99/558927299.db2.gz KHDYQOKTTHTVQE-UHFFFAOYSA-N 1 0 418.929 3.671 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc(F)c(OC)c3)C2)CC1 ZINC000019635744 558947508 /nfs/dbraw/zinc/94/75/08/558947508.db2.gz WVJCNWGHJGBCLF-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065362248 558972983 /nfs/dbraw/zinc/97/29/83/558972983.db2.gz NVKAHELXZVYQEW-UHFFFAOYSA-N 1 0 412.513 3.577 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1Cl ZINC000065363577 558974516 /nfs/dbraw/zinc/97/45/16/558974516.db2.gz KYZSUOGVLBICFN-UHFFFAOYSA-N 1 0 423.908 3.931 50 0 HHAARO O=C1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1 ZINC000072418945 558978218 /nfs/dbraw/zinc/97/82/18/558978218.db2.gz MAQXBKBCCZOVKG-UHFFFAOYSA-N 1 0 409.873 3.606 50 0 HHAARO C[NH+](C)[C@H]1CCN(c2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)cn2)C1 ZINC000072476394 558983848 /nfs/dbraw/zinc/98/38/48/558983848.db2.gz IWUQLZLELMAVKE-INIZCTEOSA-N 1 0 403.408 3.958 50 0 HHAARO Cc1ccccc1-c1noc(CNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000067613105 558989177 /nfs/dbraw/zinc/98/91/77/558989177.db2.gz RDCJOZLRTKQCGR-UHFFFAOYSA-N 1 0 408.477 3.713 50 0 HHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3nc(-c4cccc(C)c4)no3)CC2)cc1 ZINC000067629742 558990255 /nfs/dbraw/zinc/99/02/55/558990255.db2.gz YZPQIVZHCGJDOC-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO CCNc1cc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nc(C)[nH+]1 ZINC000067630197 558990510 /nfs/dbraw/zinc/99/05/10/558990510.db2.gz DZFZERAXXXTYBF-UHFFFAOYSA-N 1 0 401.514 3.846 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Cc1ccccc1 ZINC000023196761 559032313 /nfs/dbraw/zinc/03/23/13/559032313.db2.gz NROVTCSZEPHYCG-ISKFKSNPSA-N 1 0 410.558 3.927 50 0 HHAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCC2(CCCC2)C1 ZINC000082087634 559036792 /nfs/dbraw/zinc/03/67/92/559036792.db2.gz JFYISXLPKMCBRP-QFIPXVFZSA-N 1 0 410.606 3.551 50 0 HHAARO CCCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)C1CCCC1 ZINC000082097619 559037741 /nfs/dbraw/zinc/03/77/41/559037741.db2.gz JOZRIMGDSFHXFQ-JOCHJYFZSA-N 1 0 412.622 3.939 50 0 HHAARO CN(CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082098560 559037967 /nfs/dbraw/zinc/03/79/67/559037967.db2.gz QZTVEWUAXHQNGO-HSZRJFAPSA-N 1 0 412.622 3.797 50 0 HHAARO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)o1 ZINC000082120109 559039211 /nfs/dbraw/zinc/03/92/11/559039211.db2.gz FHOYVOMGUMPNAW-QFIPXVFZSA-N 1 0 409.574 3.623 50 0 HHAARO Cc1csc(-c2cc(S(=O)(=O)NCCC[NH+]3CCC(C)CC3)c(C)s2)n1 ZINC000033290012 559047032 /nfs/dbraw/zinc/04/70/32/559047032.db2.gz UBTSRZCQPAIVDT-UHFFFAOYSA-N 1 0 413.634 3.889 50 0 HHAARO CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004778504 559061286 /nfs/dbraw/zinc/06/12/86/559061286.db2.gz OQBUQQIWONWVCA-IRSIHTCSSA-N 1 0 413.606 3.734 50 0 HHAARO CCc1ccccc1OCC[NH+]1CCC2(CCC(=O)N(C[C@@H]3CCCO3)C2)CC1 ZINC000091575057 559072115 /nfs/dbraw/zinc/07/21/15/559072115.db2.gz LQLWYTBNHVJQQZ-NRFANRHFSA-N 1 0 400.563 3.511 50 0 HHAARO O=C(CC[C@@H]1CCC[N@H+](Cc2cncn2C2CC2)C1)NCc1ccc(F)c(F)c1 ZINC000095501132 559082227 /nfs/dbraw/zinc/08/22/27/559082227.db2.gz GOZTYOLDBPZTKM-INIZCTEOSA-N 1 0 402.489 3.805 50 0 HHAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 ZINC000095501979 559082478 /nfs/dbraw/zinc/08/24/78/559082478.db2.gz MJWCKBIMVXOQGT-QGZVFWFLSA-N 1 0 400.592 3.795 50 0 HHAARO Cc1noc(CN(C)C(=O)c2cccc(OC3CC[NH+](CC(C)(C)C)CC3)c2)n1 ZINC000095506505 559083186 /nfs/dbraw/zinc/08/31/86/559083186.db2.gz PWLVBVJYWIOPMZ-UHFFFAOYSA-N 1 0 400.523 3.540 50 0 HHAARO Cc1cccc2nc(C(=O)N3CCC4(CC3)C[C@H](c3ccccc3)C[N@@H+](C)C4)cn21 ZINC000096136161 559095498 /nfs/dbraw/zinc/09/54/98/559095498.db2.gz CCELZQFVLMHBPK-NRFANRHFSA-N 1 0 402.542 3.984 50 0 HHAARO Cc1nc2ncnn2c(N2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c1Cc1ccccc1 ZINC000023322590 559140826 /nfs/dbraw/zinc/14/08/26/559140826.db2.gz POPCRKOYKMNAFT-SFHVURJKSA-N 1 0 404.562 3.724 50 0 HHAARO CC(C)N1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 ZINC000014059304 559147285 /nfs/dbraw/zinc/14/72/85/559147285.db2.gz ZRXPBQQDJXHOBQ-UHFFFAOYSA-N 1 0 423.991 3.998 50 0 HHAARO Cc1ccc(-c2noc(CCC(=O)NCCC[N@@H+]3CCc4ccccc4C3)n2)cc1 ZINC000004921173 559206891 /nfs/dbraw/zinc/20/68/91/559206891.db2.gz BHZFNCPVQGHBLA-UHFFFAOYSA-N 1 0 404.514 3.542 50 0 HHAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000004991443 559224805 /nfs/dbraw/zinc/22/48/05/559224805.db2.gz HXXIAPHQANEFQR-UHFFFAOYSA-N 1 0 419.569 3.888 50 0 HHAARO CCOCCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc(CC)cc3)oc2C)CC1 ZINC000005043633 559236382 /nfs/dbraw/zinc/23/63/82/559236382.db2.gz XYLLZNOKDGPZBB-UHFFFAOYSA-N 1 0 413.562 3.967 50 0 HHAARO O=C(NCc1cccc(Cl)c1)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000039229725 559258449 /nfs/dbraw/zinc/25/84/49/559258449.db2.gz HZKRCMQLXSPZGV-OAQYLSRUSA-N 1 0 406.917 3.816 50 0 HHAARO COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)c(C)c1 ZINC000011818794 559260502 /nfs/dbraw/zinc/26/05/02/559260502.db2.gz CPIFUTQOEQLNDN-FQEVSTJZSA-N 1 0 415.578 3.837 50 0 HHAARO CCn1c(-c2nc3ccc(C(=O)N4CCC[C@@H]([NH3+])C4)cc3n2C)cc2ccccc21 ZINC000221532770 559281752 /nfs/dbraw/zinc/28/17/52/559281752.db2.gz ZDERDCQPANYYQW-GOSISDBHSA-N 1 0 401.514 3.778 50 0 in-vitro HHAARO CC[NH+](CC)CCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000005194375 559291725 /nfs/dbraw/zinc/29/17/25/559291725.db2.gz DLSXPQSOSVXFFC-UHFFFAOYSA-N 1 0 416.362 3.640 50 0 HHAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)c1ccc(O)cc1O2 ZINC000005348940 560571087 /nfs/dbraw/zinc/57/10/87/560571087.db2.gz CTYHIVDCFOAHAV-OAQYLSRUSA-N 1 0 420.513 3.704 50 0 HHAARO CC[NH+]1CCN(c2nc3c(cnn3-c3ccccc3)c(Nc3ccc(F)cc3)n2)CC1 ZINC000017288693 560706060 /nfs/dbraw/zinc/70/60/60/560706060.db2.gz VXSMCRYIDVBUOQ-UHFFFAOYSA-N 1 0 417.492 3.840 50 0 HHAARO O[C@H](COc1ccc(Br)cc1Br)C[NH+]1CCCCCC1 ZINC000003156272 560750221 /nfs/dbraw/zinc/75/02/21/560750221.db2.gz JSOWXOLKDBLGMM-ZDUSSCGKSA-N 1 0 407.146 3.827 50 0 HHAARO COc1ccc(-c2cc(C(=O)NCC[NH+]3CC=CC3)c3ccccc3n2)cc1OC ZINC000101282472 560790541 /nfs/dbraw/zinc/79/05/41/560790541.db2.gz OKDMSRFBWLXQFR-UHFFFAOYSA-N 1 0 403.482 3.521 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccsc1 ZINC000046688604 560803906 /nfs/dbraw/zinc/80/39/06/560803906.db2.gz JYSIQEILCUVNTE-SFHVURJKSA-N 1 0 401.511 3.589 50 0 HHAARO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(Cl)cc2)CCN1C[C@H](O)c1ccc(Cl)cc1 ZINC000103985931 560846446 /nfs/dbraw/zinc/84/64/46/560846446.db2.gz SOSJSQXPSSZICL-LPTQZCDUSA-N 1 0 409.357 3.767 50 0 HHAARO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984317 560858915 /nfs/dbraw/zinc/85/89/15/560858915.db2.gz WYVCMRDEPCENNA-FGZHOGPDSA-N 1 0 414.521 3.997 50 0 HHAARO CC(C)(CO)[NH2+]Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O ZINC000012038644 560887638 /nfs/dbraw/zinc/88/76/38/560887638.db2.gz WYMFKZKFAIOJFV-UHFFFAOYSA-N 1 0 400.906 3.594 50 0 HHAARO CCOC(=O)[C@@]1(Cc2cccc(Cl)c2)CCC[N@@H+](C2CCN(C(C)=O)CC2)C1 ZINC000012052580 560887874 /nfs/dbraw/zinc/88/78/74/560887874.db2.gz MHRHKCIPQQRAHL-JOCHJYFZSA-N 1 0 406.954 3.539 50 0 HHAARO O=C(c1cccc(OC2CC[NH+](C3CSCCSC3)CC2)c1)N1CCCC1 ZINC000012091739 560888919 /nfs/dbraw/zinc/88/89/19/560888919.db2.gz IIYHGUKNEIXLOG-UHFFFAOYSA-N 1 0 406.617 3.614 50 0 HHAARO OCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000108922252 568420204 /nfs/dbraw/zinc/42/02/04/568420204.db2.gz DZYHFIDFXUNEFW-VXKWHMMOSA-N 1 0 405.485 3.669 50 0 HHAARO COC(=O)c1cc(Cl)c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000048112762 568432051 /nfs/dbraw/zinc/43/20/51/568432051.db2.gz MRXLEXROINAXFS-AWEZNQCLSA-N 1 0 411.911 3.621 50 0 HHAARO Cc1nn2c(nc(NCC3CC[NH+](CCN(C)C)CC3)c3ccccc32)c1Cl ZINC000048309305 568436373 /nfs/dbraw/zinc/43/63/73/568436373.db2.gz SIQHMUVFRLHJKP-UHFFFAOYSA-N 1 0 400.958 3.530 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1I ZINC000048310180 568436496 /nfs/dbraw/zinc/43/64/96/568436496.db2.gz YPUSLYDKRYILAT-GFCCVEGCSA-N 1 0 420.722 3.939 50 0 HHAARO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)n1 ZINC000048300277 568437276 /nfs/dbraw/zinc/43/72/76/568437276.db2.gz WWUPCYGVTGSGPZ-NRFANRHFSA-N 1 0 402.498 3.602 50 0 HHAARO C[NH+](C)C[C@H](CNC(=O)Nc1ccc(-c2nccs2)cc1)[C@@H](O)c1ccccc1 ZINC000048353524 568441154 /nfs/dbraw/zinc/44/11/54/568441154.db2.gz FLAKRGKWKBOZAI-ICSRJNTNSA-N 1 0 410.543 3.843 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)O[C@@H](C)C2 ZINC000022804359 568499751 /nfs/dbraw/zinc/49/97/51/568499751.db2.gz JNEXNZCUVPEBRT-FXAWDEMLSA-N 1 0 415.603 3.549 50 0 HHAARO CC[C@H](CNC(=O)c1cc(OC)c(OCc2ccccc2)c(OC)c1)[NH+]1CCCC1 ZINC000031229182 568503102 /nfs/dbraw/zinc/50/31/02/568503102.db2.gz VKXDKVCGKSSZRP-HXUWFJFHSA-N 1 0 412.530 3.887 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)c4cccnc4Cl)ccc3n2)CC1 ZINC000020108577 568588510 /nfs/dbraw/zinc/58/85/10/568588510.db2.gz BXFQLUGKUSEUSM-UHFFFAOYSA-N 1 0 409.921 3.986 50 0 HHAARO CCC[NH+]1CCN(CCCNc2ncnc3onc(-c4ccc(Cl)cc4)c32)CC1 ZINC000020330039 568599029 /nfs/dbraw/zinc/59/90/29/568599029.db2.gz AEPZHUUTMCCFBD-UHFFFAOYSA-N 1 0 414.941 3.768 50 0 HHAARO CC[C@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000095462595 568621443 /nfs/dbraw/zinc/62/14/43/568621443.db2.gz NAFHCNHEFIZAMI-KRWDZBQOSA-N 1 0 402.438 3.516 50 0 HHAARO Cc1ncc(C[NH2+]C[C@@H](C)O)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095480090 568632893 /nfs/dbraw/zinc/63/28/93/568632893.db2.gz XCHLMCUCBDKTNN-LLVKDONJSA-N 1 0 403.276 3.600 50 0 HHAARO Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000225388198 568633419 /nfs/dbraw/zinc/63/34/19/568633419.db2.gz YLSPPSAHOKWCCI-JOCHJYFZSA-N 1 0 423.557 3.863 50 0 HHAARO COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CC[NH+](C)CC2)n3C(C)C)cc1 ZINC000020677600 568639792 /nfs/dbraw/zinc/63/97/92/568639792.db2.gz OPRFCNJAGRLDGI-UHFFFAOYSA-N 1 0 421.545 3.626 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000020867172 568646871 /nfs/dbraw/zinc/64/68/71/568646871.db2.gz PKOMNJGTSZXKKI-HNNXBMFYSA-N 1 0 418.584 3.697 50 0 HHAARO CCC[NH+]1CCN(CCCNC(=O)C2=Cc3sc4c(c3CS2)CCCC4)CC1 ZINC000020931430 568651822 /nfs/dbraw/zinc/65/18/22/568651822.db2.gz SREUOQBFFKAGOH-UHFFFAOYSA-N 1 0 419.660 3.749 50 0 HHAARO c1cc(C[NH+]2CCCCC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020942728 568652930 /nfs/dbraw/zinc/65/29/30/568652930.db2.gz QWAYONPXCUYSNK-UHFFFAOYSA-N 1 0 422.602 3.637 50 0 HHAARO CCOc1ccc([C@H](c2c(O)cc(C)n(CCOC)c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000021098013 568665868 /nfs/dbraw/zinc/66/58/68/568665868.db2.gz CZZCLRXJWPSNDV-HSZRJFAPSA-N 1 0 414.546 3.729 50 0 HHAARO C[NH+]1CCC2(CN(C(=O)c3ccccc3F)C[C@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000097138435 568714711 /nfs/dbraw/zinc/71/47/11/568714711.db2.gz BHKXBLMMILTUPN-IBGZPJMESA-N 1 0 419.504 3.562 50 0 HHAARO O=C(NCc1ccncc1)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000096280604 568718112 /nfs/dbraw/zinc/71/81/12/568718112.db2.gz DMQHIZHGXDIROO-UHFFFAOYSA-N 1 0 420.944 3.987 50 0 HHAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)[C@H](O)C1 ZINC000239359522 568729021 /nfs/dbraw/zinc/72/90/21/568729021.db2.gz AEKXSPKYFKQMGD-SJLPKXTDSA-N 1 0 416.484 3.846 50 0 HHAARO CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000239359520 568729039 /nfs/dbraw/zinc/72/90/39/568729039.db2.gz AEKXSPKYFKQMGD-AEFFLSMTSA-N 1 0 416.484 3.846 50 0 HHAARO Cc1ccc(Cl)cc1NC(=O)N1CCN(c2cc(N3CCCC3)[nH+]c(C)n2)CC1 ZINC000021795856 568753720 /nfs/dbraw/zinc/75/37/20/568753720.db2.gz ASNIRITVXABHJP-UHFFFAOYSA-N 1 0 414.941 3.701 50 0 HHAARO CCC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(F)cc3)s2)CC1 ZINC000021880804 568757150 /nfs/dbraw/zinc/75/71/50/568757150.db2.gz MCLVFPPNJJOYNJ-UHFFFAOYSA-N 1 0 400.527 3.612 50 0 HHAARO COc1ccc(C[NH2+]C[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1Br ZINC000025262231 568761088 /nfs/dbraw/zinc/76/10/88/568761088.db2.gz FQVVTGRSFBTTCC-IBGZPJMESA-N 1 0 423.326 3.760 50 0 HHAARO Cn1ncc2c1nc(N1CCC([NH+]3CCCCC3)CC1)nc2Nc1ccc(F)cc1 ZINC000021928567 568761560 /nfs/dbraw/zinc/76/15/60/568761560.db2.gz LDBSOEJGXDHHQY-UHFFFAOYSA-N 1 0 409.513 3.701 50 0 HHAARO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000022573236 568769806 /nfs/dbraw/zinc/76/98/06/568769806.db2.gz NVUWMMDUCVBMRY-FQEVSTJZSA-N 1 0 408.464 3.884 50 0 HHAARO C[NH+](C)C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)c1ccccc1 ZINC000028084913 568779386 /nfs/dbraw/zinc/77/93/86/568779386.db2.gz JKPMGQLZTDFSMZ-OAQYLSRUSA-N 1 0 409.917 3.583 50 0 HHAARO O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000056896078 568820953 /nfs/dbraw/zinc/82/09/53/568820953.db2.gz KYUVKAMWSFJCIB-HSZRJFAPSA-N 1 0 404.489 3.514 50 0 HHAARO C[C@@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)NC1CCCC1 ZINC000057286165 568825918 /nfs/dbraw/zinc/82/59/18/568825918.db2.gz BFLCPJDCFYDPIF-HXUWFJFHSA-N 1 0 406.574 3.868 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1 ZINC000057327212 568827145 /nfs/dbraw/zinc/82/71/45/568827145.db2.gz LQQQLJDRZBBNRX-OAHLLOKOSA-N 1 0 423.966 3.660 50 0 HHAARO Cc1cc2nnc(SCC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)n2c2ccccc12 ZINC000005885954 568828284 /nfs/dbraw/zinc/82/82/84/568828284.db2.gz HNJHGFFYMHWIAG-FQEVSTJZSA-N 1 0 419.554 3.702 50 0 HHAARO CC[NH+](CC)CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc21 ZINC000005979268 568833917 /nfs/dbraw/zinc/83/39/17/568833917.db2.gz FZAGYOHSLFNQQK-UZUQRXQVSA-N 1 0 418.541 3.560 50 0 HHAARO COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000003261410 568849532 /nfs/dbraw/zinc/84/95/32/568849532.db2.gz VTHDVDAJZUUHBN-KUHUBIRLSA-N 1 0 404.532 3.729 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCCNS(=O)(=O)c3ccccc3Cl)CC2)c1 ZINC000030361138 568862035 /nfs/dbraw/zinc/86/20/35/568862035.db2.gz SDXBXGZMBVSZLR-UHFFFAOYSA-N 1 0 421.994 3.529 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCCN(C)c3ccccc3)cc2C)CC1 ZINC000057863810 568864489 /nfs/dbraw/zinc/86/44/89/568864489.db2.gz KBMVGGYNVORGNB-UHFFFAOYSA-N 1 0 409.578 3.785 50 0 HHAARO CC1(C)C[C@@H](C(=O)NC[C@@H]2CCC3(CC[NH+](Cc4ccc(F)cc4)CC3)O2)CCO1 ZINC000299770197 568874146 /nfs/dbraw/zinc/87/41/46/568874146.db2.gz QFJSKZJYZRUYPF-FPOVZHCZSA-N 1 0 418.553 3.661 50 0 HHAARO CC(C)[C@H](NC(=O)c1cccs1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058011042 568875965 /nfs/dbraw/zinc/87/59/65/568875965.db2.gz INENECQXBFFEDY-FPOVZHCZSA-N 1 0 413.587 3.673 50 0 HHAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2C)C(C)C)cc1 ZINC000083823588 568917600 /nfs/dbraw/zinc/91/76/00/568917600.db2.gz JJPGZUGKLDPZKO-JOCHJYFZSA-N 1 0 402.560 3.886 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)cc1 ZINC000012738920 568926428 /nfs/dbraw/zinc/92/64/28/568926428.db2.gz RSLSDCSGZFVUFO-UHFFFAOYSA-N 1 0 405.546 3.926 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000058953712 568934678 /nfs/dbraw/zinc/93/46/78/568934678.db2.gz FHKNAPLOFUTHBM-OAQYLSRUSA-N 1 0 402.922 3.681 50 0 HHAARO Cc1c(CCN2C(=O)OC3(CC(C)(C)[NH2+]C(C)(C)C3)[C@@]2(C)O)c2ccccc2n1C ZINC000004183542 568949800 /nfs/dbraw/zinc/94/98/00/568949800.db2.gz UIQJQWOFGWDCAR-HSZRJFAPSA-N 1 0 413.562 3.869 50 0 HHAARO CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C[NH2+]C(C)(C)C ZINC000012769583 568950724 /nfs/dbraw/zinc/95/07/24/568950724.db2.gz GDYHJBUAWPRFDO-UHFFFAOYSA-N 1 0 420.531 3.936 50 0 HHAARO CCC[NH+](CCC)CCNC(=O)c1cccn1-c1nnc(N2CCCCCC2)s1 ZINC000015671819 568962222 /nfs/dbraw/zinc/96/22/22/568962222.db2.gz IGFDNALDKVQYJB-UHFFFAOYSA-N 1 0 418.611 3.561 50 0 HHAARO Cc1nn(-c2cccc(Cl)c2)nc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008231368 568984096 /nfs/dbraw/zinc/98/40/96/568984096.db2.gz QIGJNXRSFSTFSQ-UHFFFAOYSA-N 1 0 409.921 3.755 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)cc2)CC1 ZINC000008232733 568984465 /nfs/dbraw/zinc/98/44/65/568984465.db2.gz FTSCPMYXAQHEPS-UHFFFAOYSA-N 1 0 413.390 3.705 50 0 HHAARO CCc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCN2CCOCC2)cc1 ZINC000008324787 568991216 /nfs/dbraw/zinc/99/12/16/568991216.db2.gz JLWIQJGNRGREDY-UHFFFAOYSA-N 1 0 404.558 3.914 50 0 HHAARO O=C(CNC(=O)Cc1cccc2ccccc21)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000008327887 568992583 /nfs/dbraw/zinc/99/25/83/568992583.db2.gz BAJSDDVTFSYXFO-UHFFFAOYSA-N 1 0 421.585 3.804 50 0 HHAARO CCC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+](CC)CC ZINC000008346121 568994659 /nfs/dbraw/zinc/99/46/59/568994659.db2.gz ZMPGDLLGYVYCEG-KRWDZBQOSA-N 1 0 418.607 3.525 50 0 HHAARO COc1ccc(-c2nc(CC(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cs2)cc1 ZINC000008346290 568994888 /nfs/dbraw/zinc/99/48/88/568994888.db2.gz QRKFVYBFEZRXDP-LJQANCHMSA-N 1 0 411.527 3.908 50 0 HHAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000008373797 568995660 /nfs/dbraw/zinc/99/56/60/568995660.db2.gz GYJIKZSVKGJYOI-LJQANCHMSA-N 1 0 412.873 3.649 50 0 HHAARO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012820880 569004843 /nfs/dbraw/zinc/00/48/43/569004843.db2.gz ZFDSTXWFKBRYBR-HSZRJFAPSA-N 1 0 423.557 3.718 50 0 HHAARO O=C(CCc1ncc(-c2c(F)cccc2F)o1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012823729 569007505 /nfs/dbraw/zinc/00/75/05/569007505.db2.gz JUWDXVPFXBONNP-KRWDZBQOSA-N 1 0 411.452 3.943 50 0 HHAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@H]2CCO)cc1 ZINC000104404689 569008458 /nfs/dbraw/zinc/00/84/58/569008458.db2.gz DYZUQNYFBBZWBS-HSZRJFAPSA-N 1 0 405.542 3.702 50 0 HHAARO Cc1ccccc1CN1CC[N@@H+](C2CCN(c3ccccc3C)CC2)C[C@H]1CCO ZINC000104484492 569008947 /nfs/dbraw/zinc/00/89/47/569008947.db2.gz XKBMIVOEZHVQQV-RUZDIDTESA-N 1 0 407.602 3.841 50 0 HHAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@H]2CCO)cc1 ZINC000104625538 569008983 /nfs/dbraw/zinc/00/89/83/569008983.db2.gz MXOZGQXHQQEDIK-HSZRJFAPSA-N 1 0 405.542 3.702 50 0 HHAARO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)Cc1ccccc1C(F)(F)F ZINC000012850501 569010418 /nfs/dbraw/zinc/01/04/18/569010418.db2.gz KGBUOFGSARGENX-AWEZNQCLSA-N 1 0 405.420 3.901 50 0 HHAARO CCOC(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc1 ZINC000012887730 569019638 /nfs/dbraw/zinc/01/96/38/569019638.db2.gz JNJDKABZICYDMO-NRFANRHFSA-N 1 0 411.502 3.831 50 0 HHAARO Cc1cccc(-c2ccc(N3CCC[C@@H](C(=O)NCC[NH+]4CCC(C)CC4)C3)nn2)c1 ZINC000035398275 569035083 /nfs/dbraw/zinc/03/50/83/569035083.db2.gz FPDGLNZJXSTCKW-JOCHJYFZSA-N 1 0 421.589 3.517 50 0 HHAARO O=C(C[C@@H](c1cccs1)n1cccc1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000225414072 569039841 /nfs/dbraw/zinc/03/98/41/569039841.db2.gz QZBGWHXOWHIDJF-VXKWHMMOSA-N 1 0 423.582 3.802 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc3ccccc3n2)cc1 ZINC000015933807 569046728 /nfs/dbraw/zinc/04/67/28/569046728.db2.gz MLQKIKLQKWYCOW-FOCLMDBBSA-N 1 0 416.525 3.958 50 0 HHAARO COc1cc(CCC(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc(OC)c1 ZINC000013010868 569050105 /nfs/dbraw/zinc/05/01/05/569050105.db2.gz ROUAXBPJPFZNHZ-JOCHJYFZSA-N 1 0 412.530 3.598 50 0 HHAARO COc1ccc([C@]2(O)CN3CCCCCC3=[N+]2c2ccc(OC(F)F)cc2)cc1 ZINC000001744575 569051351 /nfs/dbraw/zinc/05/13/51/569051351.db2.gz XSEALPMQAGMNBQ-JOCHJYFZSA-N 1 0 403.449 3.947 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000089382803 569058824 /nfs/dbraw/zinc/05/88/24/569058824.db2.gz WEJMBESLXJOLHN-UHFFFAOYSA-N 1 0 422.451 3.658 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3cc2OC)[NH+](C)C)cc1OC ZINC000006561015 569066071 /nfs/dbraw/zinc/06/60/71/569066071.db2.gz NAZQJDCWYPKVGG-HXUWFJFHSA-N 1 0 408.498 3.898 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4onc5c4CCCC5)C3)C2)c1 ZINC000426374297 569072564 /nfs/dbraw/zinc/07/25/64/569072564.db2.gz PDODLUYRLKEKRO-XMMPIXPASA-N 1 0 409.530 3.690 50 0 HHAARO C[NH+](C)CCN(Cc1csc(COc2ccccc2)n1)C(=O)c1cccs1 ZINC000036031525 569081182 /nfs/dbraw/zinc/08/11/82/569081182.db2.gz CKWVFIZNMXYVBN-UHFFFAOYSA-N 1 0 401.557 3.988 50 0 HHAARO Cc1ccccc1CN(Cc1nc(C(=O)NCC[NH+](C)C)co1)Cc1ccc(F)cc1 ZINC000036072469 569086633 /nfs/dbraw/zinc/08/66/33/569086633.db2.gz CONHJRXJSWIPJE-UHFFFAOYSA-N 1 0 424.520 3.616 50 0 HHAARO CCC[NH+]1CCN(c2nn3c(nc(-c4ccc(O)cc4)c3NC(C)(C)C)s2)CC1 ZINC000064746089 569088302 /nfs/dbraw/zinc/08/83/02/569088302.db2.gz AVLPQESNGXBHHM-UHFFFAOYSA-N 1 0 414.579 3.906 50 0 HHAARO Cc1ccccc1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000036104611 569092616 /nfs/dbraw/zinc/09/26/16/569092616.db2.gz DHEIQJVSNBDESW-OAQYLSRUSA-N 1 0 409.482 3.897 50 0 HHAARO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2cccc(F)c2)C[C@H](O)COC(C)C)C1 ZINC000036145803 569098474 /nfs/dbraw/zinc/09/84/74/569098474.db2.gz XNJBVESUFGJTCK-FCHUYYIVSA-N 1 0 414.521 3.915 50 0 HHAARO O=C(CC1CCN(C(=O)Nc2ccccc2)CC1)NCCC[NH+]1CCCCCC1 ZINC000064847176 569108348 /nfs/dbraw/zinc/10/83/48/569108348.db2.gz ULCBJLRRWUYJDG-UHFFFAOYSA-N 1 0 400.567 3.703 50 0 HHAARO Cn1c2ccccc2c2sc(C(=O)N3CCC([NH+]4CCCCC4)CC3)cc2c1=O ZINC000006771931 569117270 /nfs/dbraw/zinc/11/72/70/569117270.db2.gz FRQRODXSYFTEKX-UHFFFAOYSA-N 1 0 409.555 3.844 50 0 HHAARO CC[NH+](CC)CCNC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C ZINC000006772659 569117877 /nfs/dbraw/zinc/11/78/77/569117877.db2.gz PYIVNUDAOLQIAJ-UHFFFAOYSA-N 1 0 407.562 3.712 50 0 HHAARO COCC[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](C)O ZINC000036307453 569129536 /nfs/dbraw/zinc/12/95/36/569129536.db2.gz NLVJXOUCAHRTIP-QGZVFWFLSA-N 1 0 413.493 3.848 50 0 HHAARO CC[N@H+](CCCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)Cc1ccccc1 ZINC000006805917 569131562 /nfs/dbraw/zinc/13/15/62/569131562.db2.gz UILSBXXCQBITSU-UHFFFAOYSA-N 1 0 418.541 3.779 50 0 HHAARO Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000006819676 569139334 /nfs/dbraw/zinc/13/93/34/569139334.db2.gz DPTHAOBPHYQJHI-UHFFFAOYSA-N 1 0 416.525 3.532 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036345550 569143160 /nfs/dbraw/zinc/14/31/60/569143160.db2.gz AUPOUUMWNCOZCA-XMMPIXPASA-N 1 0 404.558 3.619 50 0 HHAARO c1ccc(C[NH+]2CCC(N=C3NN=C(c4ccc5c(c4)OCCO5)CS3)CC2)cc1 ZINC000006863902 569158762 /nfs/dbraw/zinc/15/87/62/569158762.db2.gz MRNDYULFWGWPRO-UHFFFAOYSA-N 1 0 422.554 3.519 50 0 HHAARO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000036390480 569165630 /nfs/dbraw/zinc/16/56/30/569165630.db2.gz BXRYPLBFKUNBSK-DVECYGJZSA-N 1 0 407.558 3.802 50 0 HHAARO CC[NH+]1CCN(CCCNc2ccc(-c3nc(-c4ccc(C)cc4)no3)cn2)CC1 ZINC000065097819 569176641 /nfs/dbraw/zinc/17/66/41/569176641.db2.gz XDCLDKBBZHYWQG-UHFFFAOYSA-N 1 0 406.534 3.547 50 0 HHAARO CCOc1ccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)[nH]n2)cc1 ZINC000006942468 569186863 /nfs/dbraw/zinc/18/68/63/569186863.db2.gz JTCNTAXRBFESEQ-UHFFFAOYSA-N 1 0 404.514 3.870 50 0 HHAARO C[N@H+](CCNC(=O)c1ccc(-c2ccnc(N3CCCC3)n2)cc1)C1CCCCC1 ZINC000065171693 569190308 /nfs/dbraw/zinc/19/03/08/569190308.db2.gz UBTGKQVNJSZGEP-UHFFFAOYSA-N 1 0 407.562 3.738 50 0 HHAARO CCCC[NH+]1CCN(C(=O)c2cccc3c2CCN3C(=O)Nc2ccccc2)CC1 ZINC000065210123 569196600 /nfs/dbraw/zinc/19/66/00/569196600.db2.gz ITYOQBXUSMTTEU-UHFFFAOYSA-N 1 0 406.530 3.839 50 0 HHAARO CCN(CC)c1nc(C(=O)N2CCC([NH+]3CCCCC3)CC2)nc2nc(C)cc(C)c21 ZINC000065232085 569201274 /nfs/dbraw/zinc/20/12/74/569201274.db2.gz VCRODSAGZHLCGT-UHFFFAOYSA-N 1 0 424.593 3.578 50 0 HHAARO COc1cccc(-c2noc3nc(C)cc(C(=O)NC4CC[NH+](C(C)C)CC4)c32)c1 ZINC000036619302 569210593 /nfs/dbraw/zinc/21/05/93/569210593.db2.gz OVDXGRAKDFHPQY-UHFFFAOYSA-N 1 0 408.502 3.809 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(F)cc1 ZINC000007263658 569230791 /nfs/dbraw/zinc/23/07/91/569230791.db2.gz LZQGQFUVIBVOCZ-FQEVSTJZSA-N 1 0 412.436 3.958 50 0 HHAARO COc1ccc(Br)cc1CN(C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000007266334 569230931 /nfs/dbraw/zinc/23/09/31/569230931.db2.gz IREPPFPNJFJYES-AWEZNQCLSA-N 1 0 403.320 3.867 50 0 HHAARO CCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)CC1 ZINC000065592858 569236897 /nfs/dbraw/zinc/23/68/97/569236897.db2.gz RJKYKQFNLVINAN-ZDUSSCGKSA-N 1 0 401.320 3.736 50 0 HHAARO CC(C)(C)OC(=O)N1CCC[C@H](CC[NH+]2CCN(CCOc3ccccc3)CC2)C1 ZINC000170601575 569243222 /nfs/dbraw/zinc/24/32/22/569243222.db2.gz TZHHDYLYCHYHPN-OAQYLSRUSA-N 1 0 417.594 3.720 50 0 HHAARO CCCCOc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCN3C(C)=O)o2)cc1 ZINC000089954825 569269928 /nfs/dbraw/zinc/26/99/28/569269928.db2.gz QLZSJWNOJVEJFI-RTWAWAEBSA-N 1 0 412.534 3.891 50 0 HHAARO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)[NH+]2CCCCC2)cc1 ZINC000016993781 569270872 /nfs/dbraw/zinc/27/08/72/569270872.db2.gz WCETXMJAOOJAOQ-DEOSSOPVSA-N 1 0 419.525 3.890 50 0 HHAARO COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(C[NH+]2CCCCCC2)cc1=O ZINC000017120726 569275114 /nfs/dbraw/zinc/27/51/14/569275114.db2.gz JGTQBZKIUWCEQX-UHFFFAOYSA-N 1 0 417.937 3.833 50 0 HHAARO Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCC[NH+](C)C)cc1 ZINC000002082517 569278514 /nfs/dbraw/zinc/27/85/14/569278514.db2.gz BVLFUVYGUATWBS-UHFFFAOYSA-N 1 0 405.545 3.908 50 0 HHAARO COc1cc(OC)cc(Oc2ccc(C[NH2+][C@H]3CCN(CC(F)(F)F)C3=O)cc2)c1 ZINC000237360292 569281850 /nfs/dbraw/zinc/28/18/50/569281850.db2.gz PGAVOGHVXVHVKS-IBGZPJMESA-N 1 0 424.419 3.749 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1Br ZINC000253415743 569367090 /nfs/dbraw/zinc/36/70/90/569367090.db2.gz RMAZQVBCSWZSOJ-QUCCMNQESA-N 1 0 402.336 3.731 50 0 HHAARO CC(=O)Nc1ccc2c(CN3CCC[N@H+](Cc4ccc(C)cc4)CC3)cc(=O)oc2c1 ZINC000055121802 569389977 /nfs/dbraw/zinc/38/99/77/569389977.db2.gz GPFZLVZUILJPSW-UHFFFAOYSA-N 1 0 419.525 3.768 50 0 HHAARO Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCC[NH+](C)C)o2)cc1 ZINC000012419252 569401094 /nfs/dbraw/zinc/40/10/94/569401094.db2.gz GHFVHFAEPYZTPR-UHFFFAOYSA-N 1 0 417.506 3.986 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000013058863 569408158 /nfs/dbraw/zinc/40/81/58/569408158.db2.gz JYHUKAJHYDOKEX-SFHVURJKSA-N 1 0 417.575 3.623 50 0 HHAARO Cc1cc(NC2CC[NH+](CCOc3ccc(F)cc3)CC2)nc(-c2ccccn2)n1 ZINC000079064077 569426423 /nfs/dbraw/zinc/42/64/23/569426423.db2.gz ZETUHZDEKHKGJV-UHFFFAOYSA-N 1 0 407.493 3.941 50 0 HHAARO O=C(Nc1cccc(N2CCOC2=O)c1)N(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000079107193 569427757 /nfs/dbraw/zinc/42/77/57/569427757.db2.gz WJBMKSIKOAOCOQ-UHFFFAOYSA-N 1 0 408.502 3.773 50 0 HHAARO COc1ccc(C[NH+]2CCC(NC(=O)c3cc4ccccc4n3C)CC2)cc1OC ZINC000079480111 569431742 /nfs/dbraw/zinc/43/17/42/569431742.db2.gz PZUGJPYUJIXIGX-UHFFFAOYSA-N 1 0 407.514 3.590 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc12 ZINC000427586290 571131831 /nfs/dbraw/zinc/13/18/31/571131831.db2.gz CWGFCDROYMSBTK-SJCJKPOMSA-N 1 0 402.951 3.836 50 0 HHAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008901105 571144729 /nfs/dbraw/zinc/14/47/29/571144729.db2.gz DXZIQQRUMQUIFO-FQEVSTJZSA-N 1 0 421.588 3.602 50 0 HHAARO CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000040104238 571165039 /nfs/dbraw/zinc/16/50/39/571165039.db2.gz HBNBDBWFKRMGAG-OAHLLOKOSA-N 1 0 416.547 3.843 50 0 HHAARO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000040112318 571170455 /nfs/dbraw/zinc/17/04/55/571170455.db2.gz NIFLSDDZLPLGGK-GOSISDBHSA-N 1 0 403.526 3.619 50 0 HHAARO CC1CC[NH+](CCCCNC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000040151781 571199542 /nfs/dbraw/zinc/19/95/42/571199542.db2.gz DXXQPTUFEXRBHX-WOJBJXKFSA-N 1 0 402.583 3.934 50 0 HHAARO COC1CC[NH+](Cc2ccc(C(=O)N3CCN(Cc4cccc(C)c4)CC3)cc2)CC1 ZINC000040152623 571200303 /nfs/dbraw/zinc/20/03/03/571200303.db2.gz MQURSZWKLSSGJV-UHFFFAOYSA-N 1 0 421.585 3.564 50 0 HHAARO CN1CC[NH+](CCc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000040157063 571203615 /nfs/dbraw/zinc/20/36/15/571203615.db2.gz JGLQIWSUXGOCAE-UHFFFAOYSA-N 1 0 406.357 3.965 50 0 HHAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)C1 ZINC000040157634 571204127 /nfs/dbraw/zinc/20/41/27/571204127.db2.gz TZAHRJAUVGLPAW-CYBMUJFWSA-N 1 0 400.832 3.759 50 0 HHAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@H](C)O)C(C)C)cc1 ZINC000245281232 571222536 /nfs/dbraw/zinc/22/25/36/571222536.db2.gz WIRUARKGSPHMEU-GHTZIAJQSA-N 1 0 416.587 3.653 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@H]1CCCN(C(=O)Nc2cccc(F)c2)C1 ZINC000245327069 571225044 /nfs/dbraw/zinc/22/50/44/571225044.db2.gz INFIXQIOBXSUDV-RTBURBONSA-N 1 0 418.557 3.840 50 0 HHAARO CC(C)C(=O)Nc1nc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cs1 ZINC000070016852 571254459 /nfs/dbraw/zinc/25/44/59/571254459.db2.gz NDBINAWAETWDGJ-UHFFFAOYSA-N 1 0 414.575 3.582 50 0 HHAARO Cc1ccc(C(=O)N[C@H](C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)C(C)C)cc1 ZINC000009517095 571265294 /nfs/dbraw/zinc/26/52/94/571265294.db2.gz KDGFIOQNZNVWRZ-XWGVYQGASA-N 1 0 419.569 3.892 50 0 HHAARO Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(ncn(CCC[NH+](C)C)c3=O)c21 ZINC000009576064 571269700 /nfs/dbraw/zinc/26/97/00/571269700.db2.gz ZUALOHVLWQELTC-UHFFFAOYSA-N 1 0 413.934 3.982 50 0 HHAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1cccc2ccccc21 ZINC000009753460 571284281 /nfs/dbraw/zinc/28/42/81/571284281.db2.gz ZMMANBFQEOMRIA-IBGZPJMESA-N 1 0 403.526 3.789 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccccc1F ZINC000010233201 571297603 /nfs/dbraw/zinc/29/76/03/571297603.db2.gz ZABDGNQOYSJYBS-NRFANRHFSA-N 1 0 424.472 3.828 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccc(C)cc1 ZINC000010233196 571297631 /nfs/dbraw/zinc/29/76/31/571297631.db2.gz DTEAIQNYUULYBN-JOCHJYFZSA-N 1 0 420.509 3.997 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccccc1F ZINC000010233200 571297659 /nfs/dbraw/zinc/29/76/59/571297659.db2.gz ZABDGNQOYSJYBS-OAQYLSRUSA-N 1 0 424.472 3.828 50 0 HHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2ccc(C)cc2)N(CCC[NH+](C)C)C1=O ZINC000010233220 571297690 /nfs/dbraw/zinc/29/76/90/571297690.db2.gz FJJZQMLCIUZHTL-OAQYLSRUSA-N 1 0 406.482 3.607 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1ccccc1 ZINC000010233194 571297702 /nfs/dbraw/zinc/29/77/02/571297702.db2.gz ARMRUHIOLSXDFV-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO COc1cccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010334103 571300620 /nfs/dbraw/zinc/30/06/20/571300620.db2.gz ZTWZUOZSSNROPC-HSZRJFAPSA-N 1 0 417.509 3.740 50 0 HHAARO Cn1ccnc1COc1ccc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000071840005 571302776 /nfs/dbraw/zinc/30/27/76/571302776.db2.gz ICYODANPQWIQMC-UHFFFAOYSA-N 1 0 410.562 3.774 50 0 HHAARO COc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1Cn1cccn1 ZINC000011873143 962204825 /nfs/dbraw/zinc/20/48/25/962204825.db2.gz BSHMTRPCTLSSFW-UHFFFAOYSA-N 1 0 405.542 3.757 50 0 HHAARO CC(=O)Nc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCc4ccccc4C3)CC2)cc1 ZINC000011882077 962206217 /nfs/dbraw/zinc/20/62/17/962206217.db2.gz AKSDHXJYCWDFRP-DEOSSOPVSA-N 1 0 417.553 3.832 50 0 HHAARO Cc1cc(C(=O)N(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)[nH]n1 ZINC000011935496 962210996 /nfs/dbraw/zinc/21/09/96/962210996.db2.gz FAEDMLOYVJRSJZ-UHFFFAOYSA-N 1 0 408.468 3.764 50 0 HHAARO COc1ccccc1NC(=O)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3[nH]c1=O)CC2 ZINC000012049223 962228849 /nfs/dbraw/zinc/22/88/49/962228849.db2.gz YNHMECKPTMSESA-IBGZPJMESA-N 1 0 417.509 3.778 50 0 HHAARO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccccc3)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012056114 962231123 /nfs/dbraw/zinc/23/11/23/962231123.db2.gz MKRVPXIFQNTXNH-FQEVSTJZSA-N 1 0 417.509 3.953 50 0 HHAARO C/C=C(\C)C[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)C(C)C)[C@@H]2OCCOC ZINC000012099921 962237988 /nfs/dbraw/zinc/23/79/88/962237988.db2.gz NWYAFFLJGVZAHY-PBBAFTKJSA-N 1 0 414.590 3.845 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCCCC1)c1cn(CCc2ccccc2)nn1 ZINC000012223817 962256084 /nfs/dbraw/zinc/25/60/84/962256084.db2.gz KEXOYPKQFSUMIZ-XMMPIXPASA-N 1 0 417.557 3.868 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H](C)n2cncn2)C2CCCC2)CC1 ZINC000012303751 962268269 /nfs/dbraw/zinc/26/82/69/962268269.db2.gz VETLOEHAXNQMEE-OAQYLSRUSA-N 1 0 423.605 3.873 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCCC2 ZINC000012316965 962270676 /nfs/dbraw/zinc/27/06/76/962270676.db2.gz RURVMCMASYUQLR-UHFFFAOYSA-N 1 0 414.981 3.969 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012373192 962273529 /nfs/dbraw/zinc/27/35/29/962273529.db2.gz NYBDCEWUCXHPMD-XMMPIXPASA-N 1 0 400.611 3.864 50 0 HHAARO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)ccc2c1 ZINC000012447109 962280699 /nfs/dbraw/zinc/28/06/99/962280699.db2.gz UCQAKNHGMZLDKY-IBGZPJMESA-N 1 0 420.557 3.783 50 0 HHAARO COc1ccccc1-n1cc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)cn1 ZINC000012717419 962320073 /nfs/dbraw/zinc/32/00/73/962320073.db2.gz XTRVYJLSNKLQBQ-UHFFFAOYSA-N 1 0 421.541 3.925 50 0 HHAARO COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc4nsnc4c3)[N@@H+]3CCC[C@@]23C1=O ZINC000013596059 962394646 /nfs/dbraw/zinc/39/46/46/962394646.db2.gz QODSDBAVKXRHFB-NYDSKATKSA-N 1 0 420.538 3.638 50 0 HHAARO O=c1c2c(ncn1Cc1cnc3ccccc3c1)sc1c2CC[C@@H]([NH2+]CC2CC2)C1 ZINC000014887700 962598995 /nfs/dbraw/zinc/59/89/95/962598995.db2.gz DDVBRLIOBYCHRG-GOSISDBHSA-N 1 0 416.550 3.911 50 0 HHAARO CN1CCN(C(=O)CC[C@H]2CCC[N@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000014963149 962615418 /nfs/dbraw/zinc/61/54/18/962615418.db2.gz VISQSUONZIIZHG-OAQYLSRUSA-N 1 0 413.606 3.774 50 0 HHAARO Cc1nn(C)cc1C[N@H+](C)[C@H](Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000015001262 962623452 /nfs/dbraw/zinc/62/34/52/962623452.db2.gz PCYFJADTPSVWBV-HSZRJFAPSA-N 1 0 420.557 3.917 50 0 HHAARO COc1cccc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)c1OC ZINC000019222086 963357845 /nfs/dbraw/zinc/35/78/45/963357845.db2.gz VINNPEONMNZKDA-QFIPXVFZSA-N 1 0 409.574 3.799 50 0 HHAARO CC(C)CN1C(=O)N(Cc2ccccc2)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000019883031 963375943 /nfs/dbraw/zinc/37/59/43/963375943.db2.gz BXFFNNFWUJJYLW-UHFFFAOYSA-N 1 0 421.541 3.847 50 0 HHAARO COc1ccccc1/C=C/[C@@H]1C[C@H]2CN(c3ccccc3OC)C(=O)[C@]23CCC[N@H+]13 ZINC000020782701 963395036 /nfs/dbraw/zinc/39/50/36/963395036.db2.gz UWZYROWVKLWJQI-PAXLSAHNSA-N 1 0 404.510 3.987 50 0 HHAARO C[N@H+](CCc1ccccn1)[C@@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020920383 963404632 /nfs/dbraw/zinc/40/46/32/963404632.db2.gz ZNLHYYKKIBYAJA-GOSISDBHSA-N 1 0 408.571 4.000 50 0 HHAARO OCC[C@@H]1CN(Cc2ccc3cc(Cl)ccc3n2)CC[N@@H+]1CCc1ccccc1 ZINC000023153332 963775577 /nfs/dbraw/zinc/77/55/77/963775577.db2.gz KJADPRQJVGOYPO-HSZRJFAPSA-N 1 0 409.961 4.000 50 0 HHAARO COc1ccccc1C[C@H](C)[NH2+]Cc1cc(NC(C)=O)cc(C(=O)N2CCCC2)c1 ZINC000023337690 963801278 /nfs/dbraw/zinc/80/12/78/963801278.db2.gz HFWMCWHNTOWQNG-KRWDZBQOSA-N 1 0 409.530 3.610 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc2ccccc21 ZINC000023362661 963807870 /nfs/dbraw/zinc/80/78/70/963807870.db2.gz OJYMJZDWISSCLE-RDPSFJRHSA-N 1 0 423.507 3.987 50 0 HHAARO Cc1ccc(N2CCC([NH+]3CCC(n4nccc4NC(=O)C4CC4)CC3)CC2)cc1 ZINC000039537082 966498343 /nfs/dbraw/zinc/49/83/43/966498343.db2.gz MATGDJFCJIKFAV-UHFFFAOYSA-N 1 0 407.562 3.846 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)/C=C\c2ccc(N3CCCC3=O)cc2)[NH+](C)C)cc1 ZINC000096940650 969058353 /nfs/dbraw/zinc/05/83/53/969058353.db2.gz YWEMAOONTUSLNX-OBIZFTICSA-N 1 0 405.542 3.808 50 0 HHAARO O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000097995960 969182869 /nfs/dbraw/zinc/18/28/69/969182869.db2.gz VQAJDGMNSDMDOF-SREVYHEPSA-N 1 0 412.917 3.905 50 0 HHAARO O=C(/C=C\c1ccc(OCc2ccccn2)cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000098006744 969185246 /nfs/dbraw/zinc/18/52/46/969185246.db2.gz IYJZXWPNBSXZCL-RAXLEYEMSA-N 1 0 413.521 3.848 50 0 HHAARO CC(C)c1noc([C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)CCC(=O)NCC2)n1 ZINC000257176913 970617950 /nfs/dbraw/zinc/61/79/50/970617950.db2.gz DECZNMQKZWBHJF-GOSISDBHSA-N 1 0 423.561 3.961 50 0 HHAARO Cc1ccc(F)cc1S(=O)(=O)N1CC(F)(F)C[C@H]1CN1CCc2ccccc2C1 ZINC000257189419 970623631 /nfs/dbraw/zinc/62/36/31/970623631.db2.gz IQEZMFAKGPGIMA-IBGZPJMESA-N 1 0 424.488 3.591 50 0 HHAARO C/C(=C\c1ccccc1)CN1CCOc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000299771837 970722580 /nfs/dbraw/zinc/72/25/80/970722580.db2.gz VXXQQNCGUUAICH-YSSBIZNGSA-N 1 0 419.569 3.682 50 0 HHAARO CSc1ccc2cc(C[NH2+]CC3(O)CCCCC3)c(N3CCOCC3)nc2c1 ZINC000299799833 970723769 /nfs/dbraw/zinc/72/37/69/970723769.db2.gz UIWZEPQCEVRZMI-UHFFFAOYSA-N 1 0 401.576 3.578 50 0 HHAARO Cc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+]3CCCC3)C2=O)cc1 ZINC000004932898 132296273 /nfs/dbraw/zinc/29/62/73/132296273.db2.gz ZGOPEXDQHRKDOO-CJLVFECKSA-N 1 0 421.566 3.687 50 0 HHAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NC(=O)C(C)C)ccc4n3C)CC2)cc1 ZINC000005797250 132307995 /nfs/dbraw/zinc/30/79/95/132307995.db2.gz YDADWBUPEFAMEC-UHFFFAOYSA-N 1 0 419.573 3.841 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2)CC1 ZINC000008193699 132328670 /nfs/dbraw/zinc/32/86/70/132328670.db2.gz NSPDAJCOVKRBNM-UHFFFAOYSA-N 1 0 411.531 3.511 50 0 HHAARO O=C(CCC1CC[NH+](Cc2ccc(O)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000012439450 132360124 /nfs/dbraw/zinc/36/01/24/132360124.db2.gz XOJAHHNAJVBGMO-UHFFFAOYSA-N 1 0 407.558 3.733 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)CSCc2nc3ccccc3s2)CC1 ZINC000012551472 132363060 /nfs/dbraw/zinc/36/30/60/132363060.db2.gz CJSAIMLLFBCLNF-UHFFFAOYSA-N 1 0 412.584 3.920 50 0 HHAARO O=C(C1=CCCC1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000015078769 132461320 /nfs/dbraw/zinc/46/13/20/132461320.db2.gz QHRIGTWADZOAQX-FQEVSTJZSA-N 1 0 407.480 3.929 50 0 HHAARO CC(C)NC(=O)CC[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCOCC1 ZINC000020600192 519704106 /nfs/dbraw/zinc/70/41/06/519704106.db2.gz JJXJODGMATVKCF-UKILVPOCSA-N 1 0 423.601 3.667 50 0 HHAARO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1 ZINC000032912220 520748448 /nfs/dbraw/zinc/74/84/48/520748448.db2.gz ZVZVDEBKFQJVTJ-XMMPIXPASA-N 1 0 409.574 3.640 50 0 HHAARO CC1CC[NH+](CC2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000032951830 521001542 /nfs/dbraw/zinc/00/15/42/521001542.db2.gz IQXBNWILSZHNJX-UHFFFAOYSA-N 1 0 415.397 3.582 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(C(C)=O)cc3)c(C)c2)CC1 ZINC000032772037 521699549 /nfs/dbraw/zinc/69/95/49/521699549.db2.gz RNRANYSOQMSCJY-SFHVURJKSA-N 1 0 408.546 3.779 50 0 HHAARO COc1cc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc(OC)c1OC ZINC000044917555 522407875 /nfs/dbraw/zinc/40/78/75/522407875.db2.gz GSMMHQPXUQDRJY-UHFFFAOYSA-N 1 0 412.530 3.549 50 0 HHAARO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)[C@H]1CCc2ccccc21 ZINC000029485920 522498456 /nfs/dbraw/zinc/49/84/56/522498456.db2.gz XEIPDXWWCNSVLR-SFHVURJKSA-N 1 0 415.419 3.844 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000020581389 523021034 /nfs/dbraw/zinc/02/10/34/523021034.db2.gz UCBZNWYQJMZBPF-FQEVSTJZSA-N 1 0 403.498 3.768 50 0 HHAARO COc1ccc(C(C)=O)cc1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000032781156 523790047 /nfs/dbraw/zinc/79/00/47/523790047.db2.gz VKHMDTFULLKZKA-UHFFFAOYSA-N 1 0 414.933 3.875 50 0 HHAARO C[C@H]1CCC[N@H+](CC2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 ZINC000032952000 524085810 /nfs/dbraw/zinc/08/58/10/524085810.db2.gz YHYNMGRBNHULNN-ZDUSSCGKSA-N 1 0 421.426 3.643 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)NCCc3ccccc3)cc12 ZINC000020574553 525076908 /nfs/dbraw/zinc/07/69/08/525076908.db2.gz QSVNPQDDTSQPEV-UHFFFAOYSA-N 1 0 403.530 3.659 50 0 HHAARO COc1cccc(C[NH2+][C@@H]2C[C@@H](C(=O)NC(C)C)N(Cc3ccccc3Cl)C2)c1 ZINC000032587014 526034586 /nfs/dbraw/zinc/03/45/86/526034586.db2.gz SEANZPJXDCWSJO-KNQAVFIVSA-N 1 0 415.965 3.606 50 0 HHAARO O=C(CC1CCN(C(=O)c2ccccc2Cl)CC1)NCCC[NH+]1CCCCC1 ZINC000032974449 526365757 /nfs/dbraw/zinc/36/57/57/526365757.db2.gz XNENEEWAILCLQP-UHFFFAOYSA-N 1 0 405.970 3.575 50 0 HHAARO O=C(NCCc1cnn(-c2ccccc2)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000072277332 526454323 /nfs/dbraw/zinc/45/43/23/526454323.db2.gz YVFONXPMTSFUEW-UHFFFAOYSA-N 1 0 403.530 3.510 50 0 HHAARO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000044838435 526589194 /nfs/dbraw/zinc/58/91/94/526589194.db2.gz DTWXYIFQAFKJQF-UHFFFAOYSA-N 1 0 417.351 3.930 50 0 HHAARO Cc1noc2nc(-c3ccco3)cc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c12 ZINC000032895288 526677859 /nfs/dbraw/zinc/67/78/59/526677859.db2.gz LTPBRFHFMIKMFQ-QGZVFWFLSA-N 1 0 402.454 3.796 50 0 HHAARO Cc1ncc(C[NH+]2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)s1 ZINC000020233709 527253834 /nfs/dbraw/zinc/25/38/34/527253834.db2.gz NMVLKPGOEVWVNA-UHFFFAOYSA-N 1 0 422.554 3.820 50 0 HHAARO O=c1c2c(ncn1Cc1ccncc1)sc1c2CC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000019835714 527457934 /nfs/dbraw/zinc/45/79/34/527457934.db2.gz KOZATFDWLFWCKV-KRWDZBQOSA-N 1 0 420.513 3.688 50 0 HHAARO COc1ccccc1N1CCN(C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)CC1 ZINC000001166403 537068357 /nfs/dbraw/zinc/06/83/57/537068357.db2.gz ISPMHXBWYNDTHC-UHFFFAOYSA-N 1 0 404.558 3.963 50 0 HHAARO CCOC(=O)c1sc(NC(=O)CC[NH+]2CCCCCC2)c(C(=O)OCC)c1C ZINC000000943196 557121904 /nfs/dbraw/zinc/12/19/04/557121904.db2.gz FWMGJOMHHMSLRH-UHFFFAOYSA-N 1 0 410.536 3.615 50 0 HHAARO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)noc1-c1cc(OC)cc(OC)c1 ZINC000022633554 557299179 /nfs/dbraw/zinc/29/91/79/557299179.db2.gz RUHGGAHPICKKRO-HNNXBMFYSA-N 1 0 403.523 3.908 50 0 HHAARO O=C(NCc1cccnc1)c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000034684565 557387665 /nfs/dbraw/zinc/38/76/65/557387665.db2.gz XAMKLKMHTSAYJN-UHFFFAOYSA-N 1 0 420.944 3.987 50 0 HHAARO Cn1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2nc1CC[NH+]1CCCCC1 ZINC000006467792 557703995 /nfs/dbraw/zinc/70/39/95/557703995.db2.gz BPBRWXQCLOLBHI-UHFFFAOYSA-N 1 0 416.522 3.542 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000006767738 557720588 /nfs/dbraw/zinc/72/05/88/557720588.db2.gz NXRHQNINGABYRC-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO CCOc1ccc(N2C[C@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCCC3)cc1 ZINC000002974610 557776105 /nfs/dbraw/zinc/77/61/05/557776105.db2.gz ZTHOFHOXHNPYGZ-DEOSSOPVSA-N 1 0 411.522 3.753 50 0 HHAARO COc1ccc([C@@]2(O)CN(c3ccc(Br)cc3)C3=[N+]2CCCC3)cc1 ZINC000002966171 557777665 /nfs/dbraw/zinc/77/76/65/557777665.db2.gz XDPYRXJQOQODGX-FQEVSTJZSA-N 1 0 402.312 3.718 50 0 HHAARO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019731896 558259832 /nfs/dbraw/zinc/25/98/32/558259832.db2.gz CJVDGQNXVPOXBG-QRUZDJRHSA-N 1 0 416.581 3.932 50 0 HHAARO Cc1c[nH]c(CN(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000011664622 558268169 /nfs/dbraw/zinc/26/81/69/558268169.db2.gz MMAAQVODLWAJIZ-OAQYLSRUSA-N 1 0 400.542 3.750 50 0 HHAARO CC[NH+](CC)[C@@H]1CCN(C(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)C1 ZINC000011784141 558275421 /nfs/dbraw/zinc/27/54/21/558275421.db2.gz BKTCYWOOGYSUNP-QGZVFWFLSA-N 1 0 415.607 3.936 50 0 HHAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccc(COC)o2)C1 ZINC000011838340 558285336 /nfs/dbraw/zinc/28/53/36/558285336.db2.gz RBYWWTQSWFIVHG-HSZRJFAPSA-N 1 0 401.503 3.823 50 0 HHAARO CCc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)NCCOC)cc3Cl)CC2)o1 ZINC000011841178 558286988 /nfs/dbraw/zinc/28/69/88/558286988.db2.gz JPUNGCKWGBQVGH-UHFFFAOYSA-N 1 0 420.937 3.915 50 0 HHAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000019834828 558292557 /nfs/dbraw/zinc/29/25/57/558292557.db2.gz YBJZAGAFMAIOGZ-UHFFFAOYSA-N 1 0 407.345 3.933 50 0 HHAARO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)c(OC)c1 ZINC000011938460 558301904 /nfs/dbraw/zinc/30/19/04/558301904.db2.gz BPDUEVDUVPMVPE-IBGZPJMESA-N 1 0 411.546 3.716 50 0 HHAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccco3)CC[C@@H]21 ZINC000011999807 558308223 /nfs/dbraw/zinc/30/82/23/558308223.db2.gz UJCXHTREDKZQAX-SXLOBPIMSA-N 1 0 410.514 3.814 50 0 HHAARO Cc1c(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)[nH]c2c1cccc2Cl ZINC000012026034 558310184 /nfs/dbraw/zinc/31/01/84/558310184.db2.gz KLDXZJCNDOEAFV-UHFFFAOYSA-N 1 0 403.954 3.981 50 0 HHAARO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C1CCOCC1 ZINC000012054821 558315361 /nfs/dbraw/zinc/31/53/61/558315361.db2.gz MILYNGGHRVVQRC-UHFFFAOYSA-N 1 0 405.498 3.938 50 0 HHAARO CCCC[C@@H]1C[N@H+](CCNC(=O)CCc2c(C)nn(C)c2C)Cc2ccccc2O1 ZINC000012148982 558338434 /nfs/dbraw/zinc/33/84/34/558338434.db2.gz QWCRRBFJDMFHTA-OAQYLSRUSA-N 1 0 412.578 3.539 50 0 HHAARO O=C1CC[N@H+](Cc2ccc(OCc3ccccc3)cc2)CCN1Cc1cccnc1 ZINC000012159106 558341368 /nfs/dbraw/zinc/34/13/68/558341368.db2.gz IANPBBQXRLKIEZ-UHFFFAOYSA-N 1 0 401.510 3.895 50 0 HHAARO CSc1ccc(-c2ccc(C(=O)NCC(C)C)c(N(C)CC[NH+](C)C)n2)cc1 ZINC000020168464 558343069 /nfs/dbraw/zinc/34/30/69/558343069.db2.gz VTPKCKBHJPARBP-UHFFFAOYSA-N 1 0 400.592 3.854 50 0 HHAARO O[C@H](CSc1ccc(F)cc1)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000020421539 558362015 /nfs/dbraw/zinc/36/20/15/558362015.db2.gz WBSJSDUBUKAUOD-INIZCTEOSA-N 1 0 415.456 3.515 50 0 HHAARO CCOc1ccc(NC(=S)N[C@@H](C)[C@H](c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022928337 558363875 /nfs/dbraw/zinc/36/38/75/558363875.db2.gz DOMCOOGTMDHXLE-PGRDOPGGSA-N 1 0 412.603 3.749 50 0 HHAARO O=C(NC[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000012298881 558369057 /nfs/dbraw/zinc/36/90/57/558369057.db2.gz HHSMNIATYWDCAV-MRXNPFEDSA-N 1 0 424.932 3.936 50 0 HHAARO CCOCCCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012303849 558373363 /nfs/dbraw/zinc/37/33/63/558373363.db2.gz MSOFNUNRJIQRAZ-UHFFFAOYSA-N 1 0 410.558 3.929 50 0 HHAARO COC(=O)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCc3ccccn3)n2)cc1 ZINC000012308614 558377018 /nfs/dbraw/zinc/37/70/18/558377018.db2.gz SEXCPDLIPHGOMM-FQEVSTJZSA-N 1 0 406.486 3.906 50 0 HHAARO O=C(c1cn(Cc2ccc(F)cc2Cl)nn1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000012315821 558379158 /nfs/dbraw/zinc/37/91/58/558379158.db2.gz VULJWMRSKXBTBS-GOSISDBHSA-N 1 0 419.932 3.600 50 0 HHAARO CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c1C ZINC000012315946 558379298 /nfs/dbraw/zinc/37/92/98/558379298.db2.gz JKUZNKPZYCBMNR-FQEVSTJZSA-N 1 0 411.546 3.587 50 0 HHAARO CC1(C)C[C@H](NC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CCO1 ZINC000012319120 558381664 /nfs/dbraw/zinc/38/16/64/558381664.db2.gz YWAVZMYEUHMVHK-HXUWFJFHSA-N 1 0 423.557 3.812 50 0 HHAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012429893 558404738 /nfs/dbraw/zinc/40/47/38/558404738.db2.gz RIYDVGMUGZCAFR-HXUWFJFHSA-N 1 0 409.555 3.566 50 0 HHAARO COc1ccc(-n2ncc([C@H](C)[NH2+]C3CCN(Cc4ccccn4)CC3)c2C)cc1 ZINC000012430698 558405229 /nfs/dbraw/zinc/40/52/29/558405229.db2.gz VCPSIEKAXFTQFG-SFHVURJKSA-N 1 0 405.546 3.900 50 0 HHAARO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1 ZINC000012435045 558408819 /nfs/dbraw/zinc/40/88/19/558408819.db2.gz OKPPWGGAVDFNJZ-IBGZPJMESA-N 1 0 403.486 3.823 50 0 HHAARO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3cc(Cl)c(O)c(OC)c3)C2)c1 ZINC000012438829 558410401 /nfs/dbraw/zinc/41/04/01/558410401.db2.gz SYOTVEJLSOREMZ-QFIPXVFZSA-N 1 0 405.922 3.880 50 0 HHAARO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@H+](C/C=C/c3ccc(F)cc3)C2)c1 ZINC000012439063 558410558 /nfs/dbraw/zinc/41/05/58/558410558.db2.gz LUABUYQQMQJSSN-JUGMSXHOSA-N 1 0 412.505 3.998 50 0 HHAARO CC(C)C[NH+]1CCC(CN(C)C(=O)c2cc(COc3c(F)cccc3F)on2)CC1 ZINC000012439066 558410587 /nfs/dbraw/zinc/41/05/87/558410587.db2.gz ZBAORXPJEMPWPJ-UHFFFAOYSA-N 1 0 421.488 3.972 50 0 HHAARO CC[C@H](Nc1ncnc2sc(C(=O)NCC[NH+](C)C)c(C)c21)c1cccs1 ZINC000012450366 558416078 /nfs/dbraw/zinc/41/60/78/558416078.db2.gz ZBGWESZCPXMKSL-ZDUSSCGKSA-N 1 0 403.577 3.916 50 0 HHAARO COc1ccccc1NC(=O)Nc1ccnn1C1CC[NH+]([C@@H](C)CSC)CC1 ZINC000012456659 558417559 /nfs/dbraw/zinc/41/75/59/558417559.db2.gz QXAXZXFPJIVYHG-HNNXBMFYSA-N 1 0 403.552 3.924 50 0 HHAARO COc1ccc(-n2cc(C[NH2+]C[C@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000012586110 558434207 /nfs/dbraw/zinc/43/42/07/558434207.db2.gz NYFVZETXZOTSHL-IBGZPJMESA-N 1 0 413.905 3.706 50 0 HHAARO Cc1cc(NC(=O)CCc2ncc(-c3ccccc3)o2)ccc1N1CC[NH+](C)CC1 ZINC000021487874 558439847 /nfs/dbraw/zinc/43/98/47/558439847.db2.gz AHIZOPCSSOLVLN-UHFFFAOYSA-N 1 0 404.514 3.973 50 0 HHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)N3CCC[C@H](O)C3)cc2Cl)CC1 ZINC000012703164 558448502 /nfs/dbraw/zinc/44/85/02/558448502.db2.gz QHLHZEUGULXLPF-KRWDZBQOSA-N 1 0 408.970 3.826 50 0 HHAARO O=C(c1ccc2c(c1)OCO2)N1CC[C@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012703558 558448628 /nfs/dbraw/zinc/44/86/28/558448628.db2.gz FVGSSLVJVXIXMA-RUZDIDTESA-N 1 0 406.526 3.976 50 0 HHAARO CC(C)(CO)CNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012709415 558451577 /nfs/dbraw/zinc/45/15/77/558451577.db2.gz QIPCTFRVOAEAII-UHFFFAOYSA-N 1 0 410.558 3.521 50 0 HHAARO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000012713438 558453801 /nfs/dbraw/zinc/45/38/01/558453801.db2.gz FFEVATIZFAXHBO-DEOSSOPVSA-N 1 0 411.498 3.812 50 0 HHAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)N(CCC(N)=O)c2ccccc2)cc1 ZINC000022011668 558457850 /nfs/dbraw/zinc/45/78/50/558457850.db2.gz CYYLYJKIKTYRDN-JOCHJYFZSA-N 1 0 409.530 3.521 50 0 HHAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C[C@H]2CCOC2)CC1)N1CCCCC1 ZINC000012753197 558459353 /nfs/dbraw/zinc/45/93/53/558459353.db2.gz VMMWLPJYQNZPKH-QGZVFWFLSA-N 1 0 406.954 3.846 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C ZINC000022277156 558475724 /nfs/dbraw/zinc/47/57/24/558475724.db2.gz VMNQZOKNQGOLEQ-JOCHJYFZSA-N 1 0 401.595 3.866 50 0 HHAARO C[C@H]([NH2+]CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1ccc2ccccc2c1 ZINC000012995945 558498556 /nfs/dbraw/zinc/49/85/56/558498556.db2.gz HSGYQRONQBZKBM-MBSDFSHPSA-N 1 0 422.550 3.711 50 0 HHAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000022914165 558520847 /nfs/dbraw/zinc/52/08/47/558520847.db2.gz JDPCVOADEQOCBH-JOCHJYFZSA-N 1 0 400.542 3.665 50 0 HHAARO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](CCc3ccccc3)CC2)cc1Cl ZINC000022916449 558521660 /nfs/dbraw/zinc/52/16/60/558521660.db2.gz ARZXKPSUYMHYMF-QGZVFWFLSA-N 1 0 401.938 3.536 50 0 HHAARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3Nc3ccccc3)cn2)CC1 ZINC000023318122 558548847 /nfs/dbraw/zinc/54/88/47/558548847.db2.gz ARGYLVMWVSCJQE-UHFFFAOYSA-N 1 0 401.514 3.507 50 0 HHAARO Cc1cccc(C[NH2+][C@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c43)C2)c1 ZINC000023340257 558550668 /nfs/dbraw/zinc/55/06/68/558550668.db2.gz OBRHWHZYTQMBCR-SFHVURJKSA-N 1 0 416.550 3.857 50 0 HHAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc4c(c3)CCO4)C2)c1 ZINC000013636618 558554378 /nfs/dbraw/zinc/55/43/78/558554378.db2.gz ILOTUFMCVUSVBQ-LJQANCHMSA-N 1 0 408.542 3.939 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cccc(F)c3F)C[C@@H]2CCO)c(C)c1C ZINC000023374972 558554559 /nfs/dbraw/zinc/55/45/59/558554559.db2.gz LOUCSGNTBIXQCF-FQEVSTJZSA-N 1 0 404.501 3.659 50 0 HHAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)NCc1ccccc1F ZINC000013636655 558554735 /nfs/dbraw/zinc/55/47/35/558554735.db2.gz PONQJXXFDOLPEL-GOSISDBHSA-N 1 0 412.505 3.906 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCCOc3ccc(OC)cc3)c(C)c2)CC1 ZINC000024841322 558617105 /nfs/dbraw/zinc/61/71/05/558617105.db2.gz XNYUTMVLWPYGGX-UHFFFAOYSA-N 1 0 411.546 3.943 50 0 HHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000025235906 558635177 /nfs/dbraw/zinc/63/51/77/558635177.db2.gz DVBYYTFCLBBPMM-UHFFFAOYSA-N 1 0 405.523 3.654 50 0 HHAARO OCC[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)nc3sc4c(c32)CCC4)CC1 ZINC000025285277 558636757 /nfs/dbraw/zinc/63/67/57/558636757.db2.gz FGTNXOSEHDKGDI-UHFFFAOYSA-N 1 0 414.962 3.615 50 0 HHAARO C[NH+](C)CCCNc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs1 ZINC000014246476 558647535 /nfs/dbraw/zinc/64/75/35/558647535.db2.gz IWVMGPYGVNRTNN-UHFFFAOYSA-N 1 0 422.620 3.738 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccccc2F)c1-n1cccc1)c1ccsc1 ZINC000025816369 558650750 /nfs/dbraw/zinc/65/07/50/558650750.db2.gz PAUQQDMWWAXKKS-HXUWFJFHSA-N 1 0 423.517 3.896 50 0 HHAARO CCC[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014531250 558656022 /nfs/dbraw/zinc/65/60/22/558656022.db2.gz WMSRQDFUAJGFRO-UHFFFAOYSA-N 1 0 420.557 3.723 50 0 HHAARO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1cc(Cl)ccc1Cl ZINC000026134716 558656319 /nfs/dbraw/zinc/65/63/19/558656319.db2.gz SCLMEMAFAJZUQU-KRWDZBQOSA-N 1 0 410.301 3.696 50 0 HHAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3cccnc3)CC2)C1=O ZINC000014535126 558657825 /nfs/dbraw/zinc/65/78/25/558657825.db2.gz AVHSJOONIPZGRP-UHFFFAOYSA-N 1 0 420.557 3.579 50 0 HHAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH+](Cc1ccoc1)CC2 ZINC000014541643 558660431 /nfs/dbraw/zinc/66/04/31/558660431.db2.gz URPDNEGKYWYYCP-UHFFFAOYSA-N 1 0 424.545 3.562 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccc(OC)c1)C2 ZINC000014743086 558667800 /nfs/dbraw/zinc/66/78/00/558667800.db2.gz SBDKQRYSQDDSFE-HXUWFJFHSA-N 1 0 424.589 3.617 50 0 HHAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014744573 558668543 /nfs/dbraw/zinc/66/85/43/558668543.db2.gz RDDPUAOUOVXEBZ-FQEVSTJZSA-N 1 0 423.582 3.964 50 0 HHAARO COc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCC(C)C)c1 ZINC000014746509 558669350 /nfs/dbraw/zinc/66/93/50/558669350.db2.gz LKKNXCORUABFMF-UHFFFAOYSA-N 1 0 415.578 3.996 50 0 HHAARO Cc1nc(C(=O)NC[C@H]2CCC3(CC[NH+](CCCc4ccccc4)CC3)O2)cs1 ZINC000014984809 558692593 /nfs/dbraw/zinc/69/25/93/558692593.db2.gz SLNGDTNXTUTPBK-HXUWFJFHSA-N 1 0 413.587 3.828 50 0 HHAARO Cc1ccsc1C[N@H+]1CCc2nnc([C@@H](C)NC(=O)CCc3ccccc3)n2CC1 ZINC000014998160 558696747 /nfs/dbraw/zinc/69/67/47/558696747.db2.gz MKKXQXYHBZGIAG-GOSISDBHSA-N 1 0 423.586 3.516 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)CCCCC2)CC1 ZINC000028403210 558700037 /nfs/dbraw/zinc/70/00/37/558700037.db2.gz NRCVEBUJQMVCSF-LJQANCHMSA-N 1 0 422.013 3.872 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)CC1 ZINC000015064594 558707620 /nfs/dbraw/zinc/70/76/20/558707620.db2.gz QNIAAFPKSWOAQZ-GOSISDBHSA-N 1 0 419.541 3.555 50 0 HHAARO CN1CCC([NH+]2CCC(Oc3ccc(C(=O)NC4CCCC4)cc3Cl)CC2)CC1 ZINC000015065758 558708546 /nfs/dbraw/zinc/70/85/46/558708546.db2.gz KZQCGFCGIJYVTE-UHFFFAOYSA-N 1 0 419.997 3.950 50 0 HHAARO CCCn1ncc(C[NH+]2CCC(Cc3cccc(OC)c3)(C(=O)OCC)CC2)c1C ZINC000015066836 558709742 /nfs/dbraw/zinc/70/97/42/558709742.db2.gz QJPFHTDHBFAYPM-UHFFFAOYSA-N 1 0 413.562 3.998 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cnn(-c2nccc(-c3ccccc3F)n2)c1C(C)C ZINC000015071643 558713293 /nfs/dbraw/zinc/71/32/93/558713293.db2.gz QBLGEODXDQDFCM-UHFFFAOYSA-N 1 0 424.524 3.663 50 0 HHAARO CC(C)[C@@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)NC(=O)OC(C)(C)C ZINC000072286244 558717283 /nfs/dbraw/zinc/71/72/83/558717283.db2.gz ICNZVDYTVZCTDN-CQSZACIVSA-N 1 0 415.328 3.817 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C(=O)N3CCCCC3)c3ccccc3)cc2)CC1 ZINC000015475148 558740712 /nfs/dbraw/zinc/74/07/12/558740712.db2.gz FGFRPGYEFQBCFE-XMMPIXPASA-N 1 0 406.574 3.994 50 0 HHAARO CC[NH+](CC)CCSc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 ZINC000033115255 558761335 /nfs/dbraw/zinc/76/13/35/558761335.db2.gz OAHJURROPREZLG-UHFFFAOYSA-N 1 0 416.566 3.617 50 0 HHAARO Cc1cccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)c1 ZINC000016020185 558767362 /nfs/dbraw/zinc/76/73/62/558767362.db2.gz JFQGNNCALWRPAA-MTNXOHHFSA-N 1 0 405.542 3.571 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2ccc3ccccc3c2)c1 ZINC000016189167 558776930 /nfs/dbraw/zinc/77/69/30/558776930.db2.gz YNMAZBVALCGMPA-UHFFFAOYSA-N 1 0 403.482 3.631 50 0 HHAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000034872095 558786373 /nfs/dbraw/zinc/78/63/73/558786373.db2.gz SFZKRBDTGDINFB-PXNSSMCTSA-N 1 0 402.922 3.568 50 0 HHAARO CC(C)OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145855 558797964 /nfs/dbraw/zinc/79/79/64/558797964.db2.gz VAZRBLAKDVLURD-VXKWHMMOSA-N 1 0 400.494 3.607 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036340889 558799078 /nfs/dbraw/zinc/79/90/78/558799078.db2.gz OOVIEOKKDDWYOQ-HSZRJFAPSA-N 1 0 424.976 3.964 50 0 HHAARO COc1ccc(-c2nnsc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036360698 558799449 /nfs/dbraw/zinc/79/94/49/558799449.db2.gz ZMHLZIGCOAUJKY-UHFFFAOYSA-N 1 0 408.527 3.608 50 0 HHAARO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(CCC[NH+](C)C)C3=O ZINC000016742008 558803857 /nfs/dbraw/zinc/80/38/57/558803857.db2.gz ZGCJTSMEYHSXEW-NRFANRHFSA-N 1 0 406.482 3.612 50 0 HHAARO C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C\c2ccccc2)O3)C1 ZINC000032984082 558805034 /nfs/dbraw/zinc/80/50/34/558805034.db2.gz QGYCCOUWAUMZJE-FSTGKYBXSA-N 1 0 419.525 3.910 50 0 HHAARO O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017082117 558813997 /nfs/dbraw/zinc/81/39/97/558813997.db2.gz PUIKAFGCEJNGPC-UHFFFAOYSA-N 1 0 400.997 3.677 50 0 HHAARO CN(C(=O)c1cc(=O)[nH]c2ccccc21)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000039479095 558821747 /nfs/dbraw/zinc/82/17/47/558821747.db2.gz CMSJZCMXSZDGJF-HXUWFJFHSA-N 1 0 403.526 3.697 50 0 HHAARO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(Br)c3c(c2)OCCO3)c1 ZINC000060318633 558834360 /nfs/dbraw/zinc/83/43/60/558834360.db2.gz LBEZIHPKWVRTFX-UHFFFAOYSA-N 1 0 419.319 3.602 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCCOc2ccc3c(c2)OCO3)C1)C(=O)OC(C)(C)C ZINC000060339748 558852616 /nfs/dbraw/zinc/85/26/16/558852616.db2.gz ZWEFNBBGPWIMAW-KRWDZBQOSA-N 1 0 406.523 3.763 50 0 HHAARO CCc1ccc(NC(=O)N2CCC[C@H](c3cccc(C(=O)NCC[NH+](C)C)c3)C2)cc1 ZINC000033035553 558859752 /nfs/dbraw/zinc/85/97/52/558859752.db2.gz QMAATJJIMMMSDK-QFIPXVFZSA-N 1 0 422.573 3.952 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017966 558863090 /nfs/dbraw/zinc/86/30/90/558863090.db2.gz PVKGRKAVVYKXCX-WOJBJXKFSA-N 1 0 411.571 3.554 50 0 HHAARO Cc1ccc2[nH]c(N3CCC(C(=O)N4CCC([NH+]5CCCCC5)CC4)CC3)nc2c1 ZINC000033070722 558866211 /nfs/dbraw/zinc/86/62/11/558866211.db2.gz INWPMDRVHHNHIY-UHFFFAOYSA-N 1 0 409.578 3.565 50 0 HHAARO Clc1ccccc1Cn1ncc2c1ncnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000054333072 558867642 /nfs/dbraw/zinc/86/76/42/558867642.db2.gz DEGWGLDDXFJSOQ-UHFFFAOYSA-N 1 0 418.932 3.850 50 0 HHAARO CN(C)C(=O)c1nc2ccc(Cl)cn2c1C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000055310322 558879105 /nfs/dbraw/zinc/87/91/05/558879105.db2.gz IZFWZXGWNBCTHX-UHFFFAOYSA-N 1 0 410.827 3.998 50 0 HHAARO Cc1c(C[N@@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000055414783 558881025 /nfs/dbraw/zinc/88/10/25/558881025.db2.gz MXBMINVHGARNFP-SANMLTNESA-N 1 0 419.569 3.692 50 0 HHAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019375397 558881498 /nfs/dbraw/zinc/88/14/98/558881498.db2.gz ZOWNJHJCACTBET-UHFFFAOYSA-N 1 0 400.478 3.904 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)NCc4cccc(C)c4)c(C)c32)CC1 ZINC000033048460 558886083 /nfs/dbraw/zinc/88/60/83/558886083.db2.gz CUHAVPRDQOAGIR-UHFFFAOYSA-N 1 0 423.586 3.770 50 0 HHAARO COC(=O)c1ncoc1-c1ccccc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033131189 558887666 /nfs/dbraw/zinc/88/76/66/558887666.db2.gz OVTUDDWGMFDHIV-UHFFFAOYSA-N 1 0 419.481 3.523 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCCc3c[nH]c4ccccc34)cc2)CC1 ZINC000058088258 558898490 /nfs/dbraw/zinc/89/84/90/558898490.db2.gz JVOMTSLUHNSRPX-UHFFFAOYSA-N 1 0 418.585 3.945 50 0 HHAARO CC(=O)Nc1nc(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cs1 ZINC000058143730 558901736 /nfs/dbraw/zinc/90/17/36/558901736.db2.gz KHDPZRYMRIPENL-GJZGRUSLSA-N 1 0 400.548 3.509 50 0 HHAARO O=C(NCc1cccnc1N1CCOCC1)Nc1ccccc1N1CCCCCC1 ZINC000058157968 558903457 /nfs/dbraw/zinc/90/34/57/558903457.db2.gz JFFJIPWSFOQKEU-UHFFFAOYSA-N 1 0 409.534 3.620 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1ccsc1 ZINC000058161477 558905699 /nfs/dbraw/zinc/90/56/99/558905699.db2.gz DVSGPDFJWNXFIK-MRXNPFEDSA-N 1 0 424.452 3.772 50 0 HHAARO O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000058406736 558924697 /nfs/dbraw/zinc/92/46/97/558924697.db2.gz QBRFUQOQKDMYFZ-PMACEKPBSA-N 1 0 412.603 3.786 50 0 HHAARO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000058964669 558931136 /nfs/dbraw/zinc/93/11/36/558931136.db2.gz PQKWEPSWBMLCKN-SFHVURJKSA-N 1 0 414.571 3.642 50 0 HHAARO CNC(=O)c1ccc(/C=C/C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000036390866 558934981 /nfs/dbraw/zinc/93/49/81/558934981.db2.gz KDOQLXWKEQXRMJ-QYFOZDBKSA-N 1 0 411.933 3.666 50 0 HHAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](C)Sc2cc(Cl)ccc2Cl)CC1 ZINC000059922944 558939956 /nfs/dbraw/zinc/93/99/56/558939956.db2.gz RWRJJAWNYXBUIF-CQSZACIVSA-N 1 0 404.407 3.618 50 0 HHAARO OCC[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019595413 558946147 /nfs/dbraw/zinc/94/61/47/558946147.db2.gz ZHIVGRALHDLEIU-OAQYLSRUSA-N 1 0 410.949 3.595 50 0 HHAARO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)Nc3ccc(C)cc3)C2)CC1 ZINC000064053454 558961879 /nfs/dbraw/zinc/96/18/79/558961879.db2.gz CVSYFVDJHUZTBI-NRFANRHFSA-N 1 0 408.546 3.822 50 0 HHAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000096536881 558966247 /nfs/dbraw/zinc/96/62/47/558966247.db2.gz ZKBHELGUYPCBPL-LJQANCHMSA-N 1 0 403.526 3.789 50 0 HHAARO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2ccccc2c1 ZINC000096536880 558966253 /nfs/dbraw/zinc/96/62/53/558966253.db2.gz ZKBHELGUYPCBPL-IBGZPJMESA-N 1 0 403.526 3.789 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)[nH+]1 ZINC000065365627 558976607 /nfs/dbraw/zinc/97/66/07/558976607.db2.gz VYHOVTJPJYTSGS-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)[nH+]1 ZINC000072437558 558980889 /nfs/dbraw/zinc/98/08/89/558980889.db2.gz UYPUKQKCRHPXFU-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO CCOc1ccccc1NC(=O)N1CCN(c2nc(N3CCCCC3)cc(C)[nH+]2)CC1 ZINC000072437849 558981236 /nfs/dbraw/zinc/98/12/36/558981236.db2.gz QIMYVCYJENKXRK-UHFFFAOYSA-N 1 0 424.549 3.528 50 0 HHAARO COc1ccc(-c2nc3cc(C)ccc3cc2CN2CC[N@H+](C)[C@H](CCO)C2)cc1 ZINC000072462915 558983162 /nfs/dbraw/zinc/98/31/62/558983162.db2.gz BRYLWTLKSMIBHH-JOCHJYFZSA-N 1 0 405.542 3.717 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1 ZINC000022277007 558987048 /nfs/dbraw/zinc/98/70/48/558987048.db2.gz CQRYTNMUINLBPY-JOCHJYFZSA-N 1 0 401.595 3.866 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3cccc(Cl)c3C)CC2)cc(N2CCCC2)[nH+]1 ZINC000067603412 558988000 /nfs/dbraw/zinc/98/80/00/558988000.db2.gz IATPQLVSESONJR-UHFFFAOYSA-N 1 0 414.941 3.701 50 0 HHAARO O[C@H](COCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023115044 559012710 /nfs/dbraw/zinc/01/27/10/559012710.db2.gz RJWQTVREXYCKFM-YIEZCRKJSA-N 1 0 402.554 3.542 50 0 HHAARO O=S(=O)(NCC1CC[NH+](Cc2ccco2)CC1)c1cc(Cl)ccc1Cl ZINC000023127666 559015991 /nfs/dbraw/zinc/01/59/91/559015991.db2.gz XDAVYJKJHZZUHX-UHFFFAOYSA-N 1 0 403.331 3.777 50 0 HHAARO Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1 ZINC000023133024 559017957 /nfs/dbraw/zinc/01/79/57/559017957.db2.gz NSOWXLZHTHTYJX-OAQYLSRUSA-N 1 0 413.543 3.894 50 0 HHAARO O=C(CN1CC[NH+]([C@@H]2CCCSC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000097032804 559021531 /nfs/dbraw/zinc/02/15/31/559021531.db2.gz XJWJGYUCFMCKBW-CQSZACIVSA-N 1 0 421.916 3.811 50 0 HHAARO CCN(CC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000082115628 559039106 /nfs/dbraw/zinc/03/91/06/559039106.db2.gz LXBOAVSCJSVNJO-OAQYLSRUSA-N 1 0 400.611 3.653 50 0 HHAARO Cc1cc2c(ccnc2N2CCC[C@@H](C(=O)NCC[NH+]3CCCCCC3)C2)s1 ZINC000033299628 559049554 /nfs/dbraw/zinc/04/95/54/559049554.db2.gz ZFIXSOCSUHUXLU-GOSISDBHSA-N 1 0 400.592 3.813 50 0 HHAARO CCCCOc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000033318263 559055846 /nfs/dbraw/zinc/05/58/46/559055846.db2.gz WZHGYYDAYCAYIF-UHFFFAOYSA-N 1 0 423.561 3.527 50 0 HHAARO CCc1ccccc1OCC[NH+]1CCC2(CCC(=O)N(C[C@H]3CCCO3)C2)CC1 ZINC000091575059 559072075 /nfs/dbraw/zinc/07/20/75/559072075.db2.gz LQLWYTBNHVJQQZ-OAQYLSRUSA-N 1 0 400.563 3.511 50 0 HHAARO Cc1cccc(OCC[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c1C ZINC000092066475 559075458 /nfs/dbraw/zinc/07/54/58/559075458.db2.gz JJOOBVVFWBPXPT-OAQYLSRUSA-N 1 0 400.563 3.566 50 0 HHAARO c1ccc(CCC[N@@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nnc(-c4cccnc4)o2)C3)cc1 ZINC000095520022 559085105 /nfs/dbraw/zinc/08/51/05/559085105.db2.gz MZTZIQPXKMTJTI-RBBKRZOGSA-N 1 0 403.530 3.661 50 0 HHAARO O=C1C[C@H]([C@@H]2CCCC=C2[NH+]2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100789891 559140880 /nfs/dbraw/zinc/14/08/80/559140880.db2.gz KOJFHACVEAYTSQ-DLBZAZTESA-N 1 0 408.420 3.601 50 0 HHAARO CCOC(=O)c1c2c(sc1NC(=O)c1ccnn1CC)C(C)(C)[NH2+]C(C)(C)C2 ZINC000011695971 559188782 /nfs/dbraw/zinc/18/87/82/559188782.db2.gz CZCDIWOTULGFSQ-UHFFFAOYSA-N 1 0 404.536 3.553 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1ccc(Nc2ncnc3cc(OC)c(OC)cc32)cc1 ZINC000011990251 559269893 /nfs/dbraw/zinc/26/98/93/559269893.db2.gz HJEPBHBQHNWTAJ-UHFFFAOYSA-N 1 0 424.501 3.889 50 0 HHAARO COc1ccc2c(c1)oc1c(c2=O)[C@H](c2ccc(Cl)cc2)N(CC[NH+](C)C)C1=O ZINC000005351970 560569070 /nfs/dbraw/zinc/56/90/70/560569070.db2.gz SKDIJVSARWQOIN-IBGZPJMESA-N 1 0 412.873 3.562 50 0 HHAARO CN(Cc1ccc2c(c1)OCO2)C(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000062580216 560631371 /nfs/dbraw/zinc/63/13/71/560631371.db2.gz LXKCQKVOSDGJJO-NRFANRHFSA-N 1 0 420.431 3.828 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3)c3c(O)n(-c4ccc(F)cc4)c(O)c23)cc1 ZINC000100834488 560759635 /nfs/dbraw/zinc/75/96/35/560759635.db2.gz RRVQBSIBMVQEEV-IRLDBZIGSA-N 1 0 415.424 3.617 50 0 HHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982975 560859053 /nfs/dbraw/zinc/85/90/53/560859053.db2.gz RWTSNIIHWPDSRX-NHCUHLMSSA-N 1 0 414.521 3.854 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]CCOc2ccc(F)cc2)N1Cc1nc2ccccc2s1 ZINC000012165036 560890561 /nfs/dbraw/zinc/89/05/61/560890561.db2.gz JEXUFWWUXGHJOD-KRWDZBQOSA-N 1 0 413.518 3.985 50 0 HHAARO COc1ccc([C@H]2[C@@H](COC(=O)CCCNC(=O)OC(C)(C)C)CCC[N@@H+]2C)cc1 ZINC000106914055 560894525 /nfs/dbraw/zinc/89/45/25/560894525.db2.gz UYCUZMNLVLTQNF-NQIIRXRSSA-N 1 0 420.550 3.926 50 0 HHAARO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106924949 560894536 /nfs/dbraw/zinc/89/45/36/560894536.db2.gz XSLRBRZZVPLYQG-KNQAVFIVSA-N 1 0 423.561 3.608 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2c(cc(F)cc2F)s1 ZINC000012229254 560895970 /nfs/dbraw/zinc/89/59/70/560895970.db2.gz ZLYDSQYQZNEJFQ-UHFFFAOYSA-N 1 0 407.490 3.605 50 0 HHAARO O=C(CCOc1ccccc1-c1ccccc1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000048264362 568433834 /nfs/dbraw/zinc/43/38/34/568433834.db2.gz ZDYTVWKJCFHVFZ-QFIPXVFZSA-N 1 0 408.542 3.836 50 0 HHAARO C[NH+](C)C[C@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@@H](O)c1ccccc1 ZINC000048275198 568435452 /nfs/dbraw/zinc/43/54/52/568435452.db2.gz KYEHYGQAEPWBEK-ROUUACIJSA-N 1 0 417.579 3.619 50 0 HHAARO CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)n1 ZINC000048300279 568437296 /nfs/dbraw/zinc/43/72/96/568437296.db2.gz WWUPCYGVTGSGPZ-OAQYLSRUSA-N 1 0 402.498 3.602 50 0 HHAARO Cc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc(-c2ccncc2)n1 ZINC000048365336 568441800 /nfs/dbraw/zinc/44/18/00/568441800.db2.gz PYHOOSDKERKIPF-UHFFFAOYSA-N 1 0 409.921 3.701 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)CCc1cc(OC)cc(OC)c1)c1cccc(OC)c1 ZINC000024836981 568470078 /nfs/dbraw/zinc/47/00/78/568470078.db2.gz TVOOGNIQTXJWQW-HSZRJFAPSA-N 1 0 414.546 3.844 50 0 HHAARO CC(C)[NH2+]C[C@@H](O)Cn1c2ccccc2c2c1-c1cnn(-c3ccccc3)c1CC2 ZINC000000762977 568473151 /nfs/dbraw/zinc/47/31/51/568473151.db2.gz CZELXTIDAORWAB-LJQANCHMSA-N 1 0 400.526 3.952 50 0 HHAARO CC[N@H+](CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1cccc(OC)c1OC)C1CC1 ZINC000095432819 568609256 /nfs/dbraw/zinc/60/92/56/568609256.db2.gz DYHBLLSLLGBYCP-OAQYLSRUSA-N 1 0 421.541 3.918 50 0 HHAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCCn2c3ccccc3n3cccc3c2=O)C1 ZINC000020489798 568614283 /nfs/dbraw/zinc/61/42/83/568614283.db2.gz YJDPFOYJPZAHKU-BGYRXZFFSA-N 1 0 422.573 3.519 50 0 HHAARO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)c1 ZINC000095450991 568614464 /nfs/dbraw/zinc/61/44/64/568614464.db2.gz IVWIHQYMJJAUDT-OAHLLOKOSA-N 1 0 412.534 3.625 50 0 HHAARO CC[N@H+](CCC1CCN(C(=O)Nc2ccc(C(=O)OC)c(F)c2)CC1)CC1CC1 ZINC000095458257 568618986 /nfs/dbraw/zinc/61/89/86/568618986.db2.gz LUPLDBUYUJUFDD-UHFFFAOYSA-N 1 0 405.514 3.978 50 0 HHAARO C[C@]1(COC(=O)c2ccc(CS(C)(=O)=O)cc2)CCCC[N@@H+]1Cc1ccccc1 ZINC000095469298 568625473 /nfs/dbraw/zinc/62/54/73/568625473.db2.gz IMNOGQOFJGFLCI-HSZRJFAPSA-N 1 0 415.555 3.833 50 0 HHAARO Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000225388155 568633483 /nfs/dbraw/zinc/63/34/83/568633483.db2.gz YLSPPSAHOKWCCI-QFIPXVFZSA-N 1 0 423.557 3.863 50 0 HHAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000020677521 568639661 /nfs/dbraw/zinc/63/96/61/568639661.db2.gz ZWSXSHGVSIRDSS-UHFFFAOYSA-N 1 0 405.546 3.754 50 0 HHAARO CC1(O)CC([C@@H]2NC(c3ccc4ccc(-c5ccccc5)nc4c3)=C3C(=[NH2+])NC=CN32)C1 ZINC000095642831 568640591 /nfs/dbraw/zinc/64/05/91/568640591.db2.gz SNCOGHXMXNIMAS-MMTWIKPJSA-N 1 0 423.520 3.805 50 0 HHAARO COc1cccc(-n2cc(C(=O)NCCC[NH+]3CCCCC3)c3ccccc3c2=O)c1 ZINC000020904538 568650876 /nfs/dbraw/zinc/65/08/76/568650876.db2.gz DDJHPMUDJURYBC-UHFFFAOYSA-N 1 0 419.525 3.605 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 ZINC000020939762 568652605 /nfs/dbraw/zinc/65/26/05/568652605.db2.gz LSRGLIWBWLSEKM-IBGZPJMESA-N 1 0 414.513 3.713 50 0 HHAARO CN(C(=O)N(CC[NH+](C)C)Cc1ccccn1)c1ccc(Br)cc1F ZINC000225645122 568659691 /nfs/dbraw/zinc/65/96/91/568659691.db2.gz OLQVYEMYBHTMRY-UHFFFAOYSA-N 1 0 409.303 3.603 50 0 HHAARO Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000095954831 568669044 /nfs/dbraw/zinc/66/90/44/568669044.db2.gz HMDKYSARXASASE-UHFFFAOYSA-N 1 0 402.336 3.986 50 0 HHAARO C[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000095995764 568678903 /nfs/dbraw/zinc/67/89/03/568678903.db2.gz UBALRBIJMZKNPX-MRXNPFEDSA-N 1 0 407.967 3.637 50 0 HHAARO COc1ccc(OC)c(NC(=O)NCC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000021366648 568690856 /nfs/dbraw/zinc/69/08/56/568690856.db2.gz DISLDESTPIAHHJ-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO CCN1CCN(c2c(C(=O)c3ccc(C)cc3)c[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000021522521 568708776 /nfs/dbraw/zinc/70/87/76/568708776.db2.gz ZFDOLWFXJYKZQD-UHFFFAOYSA-N 1 0 419.525 3.933 50 0 HHAARO Cc1ccc([C@H](CC(=O)NCCC[NH+]2CCCC2)N2Cc3ccccc3C2=O)cc1 ZINC000021530743 568710914 /nfs/dbraw/zinc/71/09/14/568710914.db2.gz GHWGNKKSRQPDKO-QHCPKHFHSA-N 1 0 405.542 3.684 50 0 HHAARO Cc1cccc(-c2ncc(C[NH+]3CCC(CCC(=O)NC[C@H]4CCCO4)CC3)cn2)c1 ZINC000015071415 568749336 /nfs/dbraw/zinc/74/93/36/568749336.db2.gz UMXSRAHVZCVFER-HSZRJFAPSA-N 1 0 422.573 3.739 50 0 HHAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 ZINC000015077061 568749523 /nfs/dbraw/zinc/74/95/23/568749523.db2.gz QGPYDPUQHYABSP-LJQANCHMSA-N 1 0 423.948 3.508 50 0 HHAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)C1 ZINC000015077064 568749674 /nfs/dbraw/zinc/74/96/74/568749674.db2.gz QGPYDPUQHYABSP-IBGZPJMESA-N 1 0 423.948 3.508 50 0 HHAARO COC(=O)c1cc([C@@H](O)C[NH2+]CCCCOCCCCc2ccccc2)ccc1O ZINC000252508465 568752259 /nfs/dbraw/zinc/75/22/59/568752259.db2.gz XNQFGFHIRNIWSZ-QHCPKHFHSA-N 1 0 415.530 3.622 50 0 HHAARO CC[NH+](CC)CCn1c(C)c(C)c2c3nc(Cc4ccc(OC)cc4)nn3cnc21 ZINC000021801875 568754191 /nfs/dbraw/zinc/75/41/91/568754191.db2.gz MJLIKCKLFXIFIS-UHFFFAOYSA-N 1 0 406.534 3.637 50 0 HHAARO CCC[NH2+]Cc1cc(Br)ccc1OCC(=O)NCCc1ccccc1 ZINC000002741193 568806080 /nfs/dbraw/zinc/80/60/80/568806080.db2.gz LZEYVIGPZZGODJ-UHFFFAOYSA-N 1 0 405.336 3.686 50 0 HHAARO Cc1cccc(Cn2cc(C[NH2+]CCCSc3nnnn3C)c3ccccc32)c1 ZINC000261492619 568820624 /nfs/dbraw/zinc/82/06/24/568820624.db2.gz UATYNEMTODSAFG-UHFFFAOYSA-N 1 0 406.559 3.794 50 0 HHAARO O=C(C[NH2+]C[C@H](c1ccco1)N1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000025562161 568821525 /nfs/dbraw/zinc/82/15/25/568821525.db2.gz YJEAICUGKPXERI-QGZVFWFLSA-N 1 0 411.424 3.934 50 0 HHAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000057378677 568830176 /nfs/dbraw/zinc/83/01/76/568830176.db2.gz IFVKGSUVXLKMSV-OALUTQOASA-N 1 0 407.558 3.976 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Br)c(Br)[nH]1 ZINC000004038185 568879844 /nfs/dbraw/zinc/87/98/44/568879844.db2.gz CKODBFUOXJVMPX-SNVBAGLBSA-N 1 0 407.150 3.534 50 0 HHAARO Cc1nn2c(c1C(=O)N1CCC([NH+]3CCCCC3)CC1)N[C@H](c1cccc(F)c1)C2 ZINC000263617011 568911233 /nfs/dbraw/zinc/91/12/33/568911233.db2.gz LQHPCASPVMTWBS-FQEVSTJZSA-N 1 0 411.525 3.588 50 0 HHAARO C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012700691 568917160 /nfs/dbraw/zinc/91/71/60/568917160.db2.gz UQYUBPMJNPQWOK-ZIAGYGMSSA-N 1 0 421.526 3.673 50 0 HHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)CCc3nnc(-c4ccsc4)o3)CC2)cc1 ZINC000031225446 568919832 /nfs/dbraw/zinc/91/98/32/568919832.db2.gz SOMQRXNRRFDNQP-UHFFFAOYSA-N 1 0 410.543 3.774 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCCC1)c1csc(-c2ncccn2)n1 ZINC000670452170 568927129 /nfs/dbraw/zinc/92/71/29/568927129.db2.gz QERCOJAPYMSOFF-IBGZPJMESA-N 1 0 407.543 3.947 50 0 HHAARO O=S(=O)(c1ccc2ccccc2c1)N(C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000004576695 568934295 /nfs/dbraw/zinc/93/42/95/568934295.db2.gz GQWFTSVUOGLZKM-QHCPKHFHSA-N 1 0 424.566 3.882 50 0 HHAARO CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)N1CCCCC1 ZINC000004064496 568937623 /nfs/dbraw/zinc/93/76/23/568937623.db2.gz QIDPWIKJFMARTD-OYDLWJJNSA-N 1 0 400.563 3.766 50 0 biogenic HHAARO CCCCNc1nnc(SCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000012763201 568946753 /nfs/dbraw/zinc/94/67/53/568946753.db2.gz ACPVQPNIUGDHRT-UHFFFAOYSA-N 1 0 419.620 3.623 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000229671641 568953174 /nfs/dbraw/zinc/95/31/74/568953174.db2.gz LXGWRKRXKJDGPC-YQOVMPOYSA-N 1 0 407.514 3.814 50 0 HHAARO Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000012779240 568956506 /nfs/dbraw/zinc/95/65/06/568956506.db2.gz NUKAIIRCBMXOAP-MRXNPFEDSA-N 1 0 415.588 3.787 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000015681630 568968165 /nfs/dbraw/zinc/96/81/65/568968165.db2.gz OQVSCIMOLKWYDG-UHFFFAOYSA-N 1 0 409.509 3.716 50 0 HHAARO CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000035107862 568992057 /nfs/dbraw/zinc/99/20/57/568992057.db2.gz RTSCTICDMHXMOB-WIYYLYMNSA-N 1 0 409.578 3.711 50 0 biogenic HHAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N[C@H]1COc2ccccc2C1 ZINC000015787277 569007685 /nfs/dbraw/zinc/00/76/85/569007685.db2.gz WOLMUUARFJXJGB-OAQYLSRUSA-N 1 0 413.949 3.855 50 0 HHAARO COc1ccc(-c2nc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1OC ZINC000012824702 569007849 /nfs/dbraw/zinc/00/78/49/569007849.db2.gz NDJCJBYDOBDXPV-GOSISDBHSA-N 1 0 423.538 3.832 50 0 HHAARO Cc1cc(C)cc(N2CCC([N@@H+]3CCN(Cc4cccc(C)n4)[C@H](CCO)C3)CC2)c1 ZINC000104316039 569008219 /nfs/dbraw/zinc/00/82/19/569008219.db2.gz RBMFTKGRPXPNFH-RUZDIDTESA-N 1 0 422.617 3.544 50 0 HHAARO COc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(C[NH+]1CCC(C)CC1)n2C ZINC000026121025 569017463 /nfs/dbraw/zinc/01/74/63/569017463.db2.gz BKMAZICNTKMXPD-UHFFFAOYSA-N 1 0 422.529 3.831 50 0 HHAARO O=S(=O)(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Br)s1 ZINC000012917698 569022603 /nfs/dbraw/zinc/02/26/03/569022603.db2.gz BGCUKPIJGLCJQC-UHFFFAOYSA-N 1 0 415.378 3.585 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000015972528 569025212 /nfs/dbraw/zinc/02/52/12/569025212.db2.gz YVUFEZLYZUOAFD-GERBCZOESA-N 1 0 405.498 3.582 50 0 HHAARO Cc1ccc(NC(=O)C2CCC(CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)c(C)c1 ZINC000035378048 569034320 /nfs/dbraw/zinc/03/43/20/569034320.db2.gz VBHHCVNDCIBTFZ-IMQCZEGASA-N 1 0 419.569 3.879 50 0 HHAARO CC1CC[NH+](CCCNC(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1 ZINC000035398340 569035184 /nfs/dbraw/zinc/03/51/84/569035184.db2.gz QOKPDBQJGVATHX-UHFFFAOYSA-N 1 0 421.589 3.598 50 0 HHAARO Cc1nc(-n2cccc2)cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)[nH+]1 ZINC000090607878 569042119 /nfs/dbraw/zinc/04/21/19/569042119.db2.gz XIKUANPFMKJBNN-UHFFFAOYSA-N 1 0 414.872 3.722 50 0 HHAARO O=C(NCCc1ccccc1)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000035598044 569045749 /nfs/dbraw/zinc/04/57/49/569045749.db2.gz VYZGOJQCBMXQDD-UHFFFAOYSA-N 1 0 415.541 3.768 50 0 HHAARO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000054101844 569057344 /nfs/dbraw/zinc/05/73/44/569057344.db2.gz RYDMKKSASRYLAM-UHFFFAOYSA-N 1 0 411.546 3.814 50 0 HHAARO C[NH+]1CCC([C@@H]2CCN(C(=O)c3nc(-c4cccs4)n(-c4ccccc4)n3)C2)CC1 ZINC000089375195 569059134 /nfs/dbraw/zinc/05/91/34/569059134.db2.gz GVYXNFLJTVZBBJ-GOSISDBHSA-N 1 0 421.570 3.800 50 0 HHAARO Cc1c(O[C@H](C)C(=O)NCCC[NH+](C)C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000006623730 569075318 /nfs/dbraw/zinc/07/53/18/569075318.db2.gz ITQMTVBLINFLCV-QGZVFWFLSA-N 1 0 408.498 3.604 50 0 biogenic HHAARO CCCCc1cc(=O)oc2cc(OCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659918 569084026 /nfs/dbraw/zinc/08/40/26/569084026.db2.gz FAGSCCCXBRZNAS-UHFFFAOYSA-N 1 0 414.546 3.940 50 0 HHAARO Cc1ccc(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2ccccc2)c(C)c1 ZINC000036082910 569087311 /nfs/dbraw/zinc/08/73/11/569087311.db2.gz YPXGBUHDKNTNAC-UHFFFAOYSA-N 1 0 420.557 3.785 50 0 HHAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COC(C)(C)C)c1 ZINC000036098493 569090916 /nfs/dbraw/zinc/09/09/16/569090916.db2.gz CNFVLIZNGBSRQQ-IBGZPJMESA-N 1 0 401.503 3.602 50 0 HHAARO CC[C@@H](O)C[N@H+](CCc1nc(-c2ccc(Br)cc2)no1)Cc1ccco1 ZINC000036154843 569100979 /nfs/dbraw/zinc/10/09/79/569100979.db2.gz KQWBKTUEBNCVFG-MRXNPFEDSA-N 1 0 420.307 3.908 50 0 HHAARO CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146328 569098653 /nfs/dbraw/zinc/09/86/53/569098653.db2.gz LPXHQSOXPKUHHD-RTWAWAEBSA-N 1 0 420.912 3.872 50 0 HHAARO CCCC[N@H+](CCNC(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)Cc1ccco1 ZINC000006724370 569100160 /nfs/dbraw/zinc/10/01/60/569100160.db2.gz OXIUWFXEKKPHSD-UHFFFAOYSA-N 1 0 422.529 3.762 50 0 HHAARO CC[NH+](CC)CCCNC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O ZINC000006799402 569126419 /nfs/dbraw/zinc/12/64/19/569126419.db2.gz LFRNNWWKYDCCCT-UHFFFAOYSA-N 1 0 414.575 3.548 50 0 HHAARO Cc1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000036309543 569131221 /nfs/dbraw/zinc/13/12/21/569131221.db2.gz WIRUARKGSPHMEU-WIYYLYMNSA-N 1 0 416.587 3.653 50 0 HHAARO CCOC(=O)c1c(C)c(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)n(CC)c1C ZINC000064970504 569138717 /nfs/dbraw/zinc/13/87/17/569138717.db2.gz FYXPCEQMTCUJPV-UHFFFAOYSA-N 1 0 417.594 3.711 50 0 HHAARO Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000036340579 569141728 /nfs/dbraw/zinc/14/17/28/569141728.db2.gz CQKKNCMBIQKOPG-FQEVSTJZSA-N 1 0 416.569 3.854 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2ccc(C)cc2)CC1 ZINC000036343589 569142399 /nfs/dbraw/zinc/14/23/99/569142399.db2.gz SSIIZLKBNNQIGH-VWLOTQADSA-N 1 0 418.585 3.927 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2)CC1 ZINC000036344283 569142513 /nfs/dbraw/zinc/14/25/13/569142513.db2.gz UODSEARDPMKNAY-DEOSSOPVSA-N 1 0 404.558 3.619 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@H]2c2ccccc2F)CC1 ZINC000036345467 569143181 /nfs/dbraw/zinc/14/31/81/569143181.db2.gz CIOABFLGNULQSL-DEOSSOPVSA-N 1 0 422.548 3.758 50 0 HHAARO O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000006848662 569153684 /nfs/dbraw/zinc/15/36/84/569153684.db2.gz YCTGLNCQAMGKLK-UHFFFAOYSA-N 1 0 422.525 3.592 50 0 HHAARO CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCCCC2)[C@H]1c1cccs1 ZINC000006875514 569163121 /nfs/dbraw/zinc/16/31/21/569163121.db2.gz CSTVYIXVUKCMRA-NHCUHLMSSA-N 1 0 411.571 3.651 50 0 HHAARO COC(=O)c1ccc(NC(=O)N2CCC(C[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000006877327 569164045 /nfs/dbraw/zinc/16/40/45/569164045.db2.gz PIJAFRIURCUGGR-UHFFFAOYSA-N 1 0 407.514 3.775 50 0 HHAARO OCC[C@H]1CCCC[N@@H+]1C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006940175 569185538 /nfs/dbraw/zinc/18/55/38/569185538.db2.gz DZYHFIDFXUNEFW-YADHBBJMSA-N 1 0 405.485 3.669 50 0 HHAARO CCOc1ccc(NC(=O)c2cccnc2N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000065255806 569208055 /nfs/dbraw/zinc/20/80/55/569208055.db2.gz FIIWDHKRUTYRNA-QFIPXVFZSA-N 1 0 402.498 3.884 50 0 HHAARO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(C(=O)Nc4ccccc4)cn3)C2)cc1 ZINC000065257036 569208654 /nfs/dbraw/zinc/20/86/54/569208654.db2.gz ROZFIMLOOJOCDP-NRFANRHFSA-N 1 0 402.498 3.711 50 0 HHAARO CC[N@H+](CCNC(=O)c1cn2ccnc(-c3ccc(F)cc3)c2n1)Cc1ccccc1 ZINC000065274623 569215192 /nfs/dbraw/zinc/21/51/92/569215192.db2.gz RTIYOKDALCAPGZ-UHFFFAOYSA-N 1 0 417.488 3.787 50 0 HHAARO CCCn1cc(C[NH+]2CCN(c3cnn4c(c3)nnc4C3CC3)CC2)c2ccccc21 ZINC000065282637 569216399 /nfs/dbraw/zinc/21/63/99/569216399.db2.gz GGJWVWBTDPPORC-UHFFFAOYSA-N 1 0 415.545 3.689 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007126813 569224158 /nfs/dbraw/zinc/22/41/58/569224158.db2.gz ZDHPBWPTSVTNLV-IBGZPJMESA-N 1 0 405.893 3.648 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000007263925 569230790 /nfs/dbraw/zinc/23/07/90/569230790.db2.gz UQRGSJVKBGWGLM-UHFFFAOYSA-N 1 0 409.317 3.712 50 0 HHAARO O=S1(=O)CC[C@@]2(C1)C[C@H]([NH2+]Cc1ccc(Oc3cc(F)cc(F)c3)cc1)CCO2 ZINC000170592038 569240719 /nfs/dbraw/zinc/24/07/19/569240719.db2.gz HUVCSEQOPXJLRC-NQIIRXRSSA-N 1 0 423.481 3.583 50 0 HHAARO CC[NH+](CC)CCNc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 ZINC000007504051 569243528 /nfs/dbraw/zinc/24/35/28/569243528.db2.gz HMRBEKZMIBKOEL-UHFFFAOYSA-N 1 0 402.502 3.571 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)n(-c2nc(C)cc(C)n2)n1 ZINC000170607283 569244594 /nfs/dbraw/zinc/24/45/94/569244594.db2.gz HAZYCDDSJJFPDZ-SFTDATJTSA-N 1 0 418.545 3.527 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(OCC(F)(F)F)nc2)[NH+]2CCCC2)cc1 ZINC000014238929 569259225 /nfs/dbraw/zinc/25/92/25/569259225.db2.gz VYDWZZAAXMRNGU-GOSISDBHSA-N 1 0 423.435 3.598 50 0 HHAARO Cc1ccc(C)c(NC(=O)N2CCN(c3nc(N4CCCCC4)cc(C)[nH+]3)CC2)c1 ZINC000017026396 569271828 /nfs/dbraw/zinc/27/18/28/569271828.db2.gz IVJNCWSSJQFOJS-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO Cc1cn2c(C[NH2+]C[C@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)nc2s1 ZINC000237918243 569281824 /nfs/dbraw/zinc/28/18/24/569281824.db2.gz IWKYBWRRDBHLHF-LJQANCHMSA-N 1 0 404.967 3.829 50 0 HHAARO CCC1CCC([N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000252504700 569291187 /nfs/dbraw/zinc/29/11/87/569291187.db2.gz CWVNGBSHLZZPPF-DQOAATFDSA-N 1 0 405.558 3.750 50 0 HHAARO CC(=O)CCc1ccc(OCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000170654883 569295378 /nfs/dbraw/zinc/29/53/78/569295378.db2.gz WJBOWKAXLZCAJA-XXBNENTESA-N 1 0 408.542 3.756 50 0 HHAARO Cc1occc1-c1nnc(SCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)n1C ZINC000007693411 569301005 /nfs/dbraw/zinc/30/10/05/569301005.db2.gz HOJZQAADUIWURM-UHFFFAOYSA-N 1 0 411.531 3.710 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000252674599 569319475 /nfs/dbraw/zinc/31/94/75/569319475.db2.gz SIXCHSTYCOPRDB-XMSQKQJNSA-N 1 0 421.545 3.591 50 0 HHAARO Cn1cc(CCC(=O)OC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)cn1 ZINC000252680055 569319920 /nfs/dbraw/zinc/31/99/20/569319920.db2.gz VBXGEFKAIZDEBB-PXNSSMCTSA-N 1 0 409.452 3.998 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1Br ZINC000253415741 569367163 /nfs/dbraw/zinc/36/71/63/569367163.db2.gz RMAZQVBCSWZSOJ-AZUAARDMSA-N 1 0 402.336 3.731 50 0 HHAARO C[NH+](C)CCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCCCC3 ZINC000002346995 569379296 /nfs/dbraw/zinc/37/92/96/569379296.db2.gz SOTCDSWGBGOOSJ-UHFFFAOYSA-N 1 0 417.962 3.698 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1/c2ccccc2C(=O)N(c2cccc(Cl)c2)C1=O ZINC000002442165 569400783 /nfs/dbraw/zinc/40/07/83/569400783.db2.gz GTCAHMKSCHRHET-AFDUHFSSSA-N 1 0 409.917 3.942 50 0 HHAARO CC(C)CCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1cccc(O)c1)CC2 ZINC000014746374 569409389 /nfs/dbraw/zinc/40/93/89/569409389.db2.gz WRSYLYOKDJUWMD-UHFFFAOYSA-N 1 0 401.551 3.693 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000002454258 569409511 /nfs/dbraw/zinc/40/95/11/569409511.db2.gz GFFODZUIKWXLQE-HUUCEWRRSA-N 1 0 401.507 3.660 50 0 HHAARO COc1ccc(NC(=O)NCC2CC[NH+](CCc3ccc(F)cc3)CC2)cc1OC ZINC000013363897 569412077 /nfs/dbraw/zinc/41/20/77/569412077.db2.gz XVDTZLBLMNJWGF-UHFFFAOYSA-N 1 0 415.509 3.919 50 0 HHAARO O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000019173380 569414400 /nfs/dbraw/zinc/41/44/00/569414400.db2.gz VQAJDGMNSDMDOF-VOTSOKGWSA-N 1 0 412.917 3.905 50 0 HHAARO COc1cc(C(=O)NCC[NH+]2CCC(OC)CC2)cc(Cl)c1OCCC(C)C ZINC000079025104 569424696 /nfs/dbraw/zinc/42/46/96/569424696.db2.gz IJYFADYGRSLQOK-UHFFFAOYSA-N 1 0 412.958 3.614 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)COc1coc(C[NH+]2CCCCCC2)cc1=O ZINC000079489033 569432366 /nfs/dbraw/zinc/43/23/66/569432366.db2.gz DWUHZIKMNFZVGW-UHFFFAOYSA-N 1 0 420.893 3.695 50 0 HHAARO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC[NH+](C)C)oc1c3CCCC1 ZINC000008490976 571060989 /nfs/dbraw/zinc/06/09/89/571060989.db2.gz PKXIPLQCWKCRBL-UHFFFAOYSA-N 1 0 410.514 3.727 50 0 biogenic HHAARO CC[N@H+](CCCNC(=O)c1c(C)oc2ncn(CC(C)C)c(=O)c21)Cc1ccccc1 ZINC000008596519 571087912 /nfs/dbraw/zinc/08/79/12/571087912.db2.gz FPOMLMKZNXRTQR-UHFFFAOYSA-N 1 0 424.545 3.596 50 0 HHAARO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC[NH+](C)C)occ3-c1ccccc1 ZINC000008879669 571131163 /nfs/dbraw/zinc/13/11/63/571131163.db2.gz OUXJHZQZUPOJOS-UHFFFAOYSA-N 1 0 404.466 3.735 50 0 biogenic HHAARO COc1ccc([C@H](CNC(=O)c2cc(C3CC3)nn2-c2ccccc2)[NH+](C)C)cc1 ZINC000008941831 571168580 /nfs/dbraw/zinc/16/85/80/571168580.db2.gz KLKBOJPSUGSPIP-QHCPKHFHSA-N 1 0 404.514 3.791 50 0 HHAARO CC(C)[N@H+](C)Cc1ccc(CNC(=O)CCNC(=O)c2ccc(F)cc2Cl)cc1 ZINC000040156449 571203354 /nfs/dbraw/zinc/20/33/54/571203354.db2.gz NEWGLJVVEAZFAR-UHFFFAOYSA-N 1 0 419.928 3.756 50 0 HHAARO CC[C@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000069656381 571237016 /nfs/dbraw/zinc/23/70/16/571237016.db2.gz DTZQIUSELYXLQF-INIZCTEOSA-N 1 0 421.520 3.801 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cncc(Br)c2)[NH+]2CCCCC2)cc1 ZINC000009516075 571265016 /nfs/dbraw/zinc/26/50/16/571265016.db2.gz VLJNMINLRJKKMY-LJQANCHMSA-N 1 0 418.335 3.810 50 0 HHAARO CC(=O)c1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CC[NH2+]CC2)c1 ZINC000009728060 571282656 /nfs/dbraw/zinc/28/26/56/571282656.db2.gz CAHWCZNQDIFWKJ-UHFFFAOYSA-N 1 0 406.461 3.933 50 0 HHAARO COc1ccccc1CNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CC[NH2+]CC1 ZINC000009728081 571282678 /nfs/dbraw/zinc/28/26/78/571282678.db2.gz AXTYCQOBLKHDBN-UHFFFAOYSA-N 1 0 424.932 3.931 50 0 HHAARO COc1ccccc1[C@@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CCC[NH+](C)C ZINC000010233148 571297478 /nfs/dbraw/zinc/29/74/78/571297478.db2.gz VNMKBORTAQFCER-JOCHJYFZSA-N 1 0 420.509 3.915 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1cccc2ccccc21 ZINC000010333619 571300704 /nfs/dbraw/zinc/30/07/04/571300704.db2.gz BPGNAWLRYISINN-HXUWFJFHSA-N 1 0 413.880 3.990 50 0 HHAARO CCNC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716733 571316411 /nfs/dbraw/zinc/31/64/11/571316411.db2.gz OOEVUBROORSHKM-UXHICEINSA-N 1 0 414.521 3.893 50 0 HHAARO COCc1cc(C[N@@H+]2CCC[C@H](Nc3ccc(OC)c(OC)c3)C2)ccc1OC ZINC000011821398 962199828 /nfs/dbraw/zinc/19/98/28/962199828.db2.gz UFIZDZNDIBTEHT-FQEVSTJZSA-N 1 0 400.519 3.935 50 0 HHAARO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc(OC)cc2F)CC1 ZINC000011822111 962199870 /nfs/dbraw/zinc/19/98/70/962199870.db2.gz JKQKXFWJPOPFRN-UHFFFAOYSA-N 1 0 401.526 3.590 50 0 HHAARO O=C(NCC[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)c1cccc2nccnc21 ZINC000012031059 962224926 /nfs/dbraw/zinc/22/49/26/962224926.db2.gz DBHOPMWKTJGMGY-XMMPIXPASA-N 1 0 424.504 3.996 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)cc1OC ZINC000012073540 962232701 /nfs/dbraw/zinc/23/27/01/962232701.db2.gz IWRFYUDAOAOWFC-FQEVSTJZSA-N 1 0 421.541 3.964 50 0 HHAARO Cc1c(C(=O)N2CCC[C@H](C)C2)sc2ncnc(NCC[NH+]3CCCCC3)c12 ZINC000012078233 962235649 /nfs/dbraw/zinc/23/56/49/962235649.db2.gz YFCUHPGYTIQZHB-HNNXBMFYSA-N 1 0 401.580 3.770 50 0 HHAARO Cc1cc(C(=O)NC[C@H]2CCC3(CC[NH+](CC[C@@H](C)c4ccccc4)CC3)O2)n(C)n1 ZINC000012135792 962245337 /nfs/dbraw/zinc/24/53/37/962245337.db2.gz LMWHMDYKNKMUFL-DENIHFKCSA-N 1 0 424.589 3.666 50 0 HHAARO CC(C)c1ccc(C[NH+]2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)cc1 ZINC000012204868 962252043 /nfs/dbraw/zinc/25/20/43/962252043.db2.gz XDJYQRKDPPXYFE-FCHUYYIVSA-N 1 0 400.563 3.619 50 0 HHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000012306327 962268118 /nfs/dbraw/zinc/26/81/18/962268118.db2.gz ZCUMKJZEGNTIHV-QGZVFWFLSA-N 1 0 411.930 3.549 50 0 HHAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2)C1 ZINC000012434487 962279108 /nfs/dbraw/zinc/27/91/08/962279108.db2.gz VQZVDDPZASIRKT-OAQYLSRUSA-N 1 0 409.530 3.566 50 0 HHAARO COc1ccc2c(c1)c(C(=O)N[C@H]1CCC[N@@H+](C3Cc4ccccc4C3)C1)c(C)n2C ZINC000012434659 962280644 /nfs/dbraw/zinc/28/06/44/962280644.db2.gz MFBDGIOBFQZHCN-FQEVSTJZSA-N 1 0 417.553 3.857 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCC[C@@H](CO)C1 ZINC000012452943 962282461 /nfs/dbraw/zinc/28/24/61/962282461.db2.gz YPIQCIRBRWDETE-JOCHJYFZSA-N 1 0 422.569 3.617 50 0 HHAARO C[C@@H]1CN(C(=O)c2ccc(OC3CC[NH+](CCc4ccccc4)CC3)cc2)CCN1C ZINC000012468044 962284813 /nfs/dbraw/zinc/28/48/13/962284813.db2.gz YQCITNSPUXVDIP-OAQYLSRUSA-N 1 0 421.585 3.549 50 0 HHAARO COc1ccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3ccc(O)cc3)C2)c(OC)c1 ZINC000012590724 962297501 /nfs/dbraw/zinc/29/75/01/962297501.db2.gz WCZBNIZUDQDREQ-GOSISDBHSA-N 1 0 412.530 3.718 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012586391 962298278 /nfs/dbraw/zinc/29/82/78/962298278.db2.gz SLMKBZQQAFWJQO-VWLOTQADSA-N 1 0 421.541 3.604 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1scc2c1OCCO2 ZINC000012745359 962324450 /nfs/dbraw/zinc/32/44/50/962324450.db2.gz XBCYXPKLKBWSDZ-UHFFFAOYSA-N 1 0 418.534 3.685 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc(OC)cc1)C(=O)N2CC(C)C ZINC000014534729 962524729 /nfs/dbraw/zinc/52/47/29/962524729.db2.gz NEOSMEJXGNHRDD-GOSISDBHSA-N 1 0 401.551 3.749 50 0 HHAARO CC(C)CN1C(=O)N(CCc2ccccc2)C2(CC[NH+](Cc3ccccn3)CC2)C1=O ZINC000014740910 962566655 /nfs/dbraw/zinc/56/66/55/962566655.db2.gz GXFRDZKDZXAGPS-UHFFFAOYSA-N 1 0 420.557 3.579 50 0 HHAARO Cc1cc(C(=O)NC[C@H](C)Oc2cccc(C[N@H+](C)Cc3cccs3)c2)n(C)n1 ZINC000014878627 962597312 /nfs/dbraw/zinc/59/73/12/962597312.db2.gz SVMLTTAWKKPLMG-KRWDZBQOSA-N 1 0 412.559 3.619 50 0 HHAARO CC(=O)N[C@@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2 ZINC000014967077 962614585 /nfs/dbraw/zinc/61/45/85/962614585.db2.gz GDDWATKVBRSLTD-QFIPXVFZSA-N 1 0 411.594 3.758 50 0 HHAARO Cc1nn(C)cc1C[N@H+](C)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 ZINC000015001259 962623618 /nfs/dbraw/zinc/62/36/18/962623618.db2.gz PCYFJADTPSVWBV-QHCPKHFHSA-N 1 0 420.557 3.917 50 0 HHAARO O=C(NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1)c1cn(CCCc2ccccc2)nn1 ZINC000015064326 962645154 /nfs/dbraw/zinc/64/51/54/962645154.db2.gz LRZLDWQQLNGPAR-HSZRJFAPSA-N 1 0 421.520 3.617 50 0 HHAARO Cc1c(C[NH2+][C@@H]2CCCN(CCCc3ccccc3)C2)c2ccccc2n1CC(N)=O ZINC000022851602 963729636 /nfs/dbraw/zinc/72/96/36/963729636.db2.gz GPMSHUJIWCEFST-JOCHJYFZSA-N 1 0 418.585 3.622 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000039509984 966495138 /nfs/dbraw/zinc/49/51/38/966495138.db2.gz AAEKLLNHPOWZGU-VQTJNVASSA-N 1 0 419.997 3.802 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CN1Cc1ccc2ccccc2c1 ZINC000039537816 966498522 /nfs/dbraw/zinc/49/85/22/966498522.db2.gz XIWVDKICDVPMRW-RPWUZVMVSA-N 1 0 405.517 3.848 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)/C=C\c1cnn(-c2ccccc2)c1)[NH+]1CCCC1 ZINC000096943708 969059485 /nfs/dbraw/zinc/05/94/85/969059485.db2.gz SQSGALJBOWSLFV-DSTYWPJMSA-N 1 0 416.525 3.847 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)CN1Cc1ccccc1 ZINC000206572839 970008982 /nfs/dbraw/zinc/00/89/82/970008982.db2.gz UJGGCVWVCXQTIZ-QUCCMNQESA-N 1 0 405.464 3.574 50 0 HHAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1cccc(Cl)c1 ZINC000207609312 970014412 /nfs/dbraw/zinc/01/44/12/970014412.db2.gz JXYQAFZWLFJJCG-PKTZIBPZSA-N 1 0 407.945 3.972 50 0 HHAARO CCCN(CC1CC1)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(C)=O)[C@@H]23 ZINC000257178567 970617742 /nfs/dbraw/zinc/61/77/42/970617742.db2.gz BWUGNUXNIZUWOO-NXYDZRKXSA-N 1 0 403.611 3.527 50 0 HHAARO CC(C)c1noc([C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)CCC(=O)NCC2)n1 ZINC000257176914 970617866 /nfs/dbraw/zinc/61/78/66/970617866.db2.gz DECZNMQKZWBHJF-SFHVURJKSA-N 1 0 423.561 3.961 50 0 HHAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)C1CCCC1)[C@@H]23)NCC1CC1 ZINC000257179240 970618487 /nfs/dbraw/zinc/61/84/87/970618487.db2.gz CLYGEMHXXCAGIA-NXYDZRKXSA-N 1 0 415.622 3.575 50 0 HHAARO COCCO[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccccc3F)CC2)C12CCCCC2 ZINC000257181693 970619868 /nfs/dbraw/zinc/61/98/68/970619868.db2.gz NSJNAQJLYBJCIW-OAQYLSRUSA-N 1 0 419.541 3.872 50 0 HHAARO c1csc(C[N@@H+]2CC[C@H](Oc3ccccc3-c3nc(-c4cnccn4)no3)C2)c1 ZINC000257183535 970620019 /nfs/dbraw/zinc/62/00/19/970620019.db2.gz HPMSXFNQLMMWKM-HNNXBMFYSA-N 1 0 405.483 3.908 50 0 HHAARO COc1ccc(C(=O)N2CCC[C@@H](Cc3ncc(C)n3Cc3ccc(F)cc3)C2)cn1 ZINC000257189025 970621796 /nfs/dbraw/zinc/62/17/96/970621796.db2.gz HEBBPJFFXAWVGR-IBGZPJMESA-N 1 0 422.504 3.877 50 0 HHAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]C2CCCCCCC2)CN1Cc1ccccc1Cl ZINC000299791465 970723899 /nfs/dbraw/zinc/72/38/99/970723899.db2.gz CWUKFRZKMNSHHC-UNMCSNQZSA-N 1 0 422.013 3.748 50 0 HHAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 ZINC000004711661 132285092 /nfs/dbraw/zinc/28/50/92/132285092.db2.gz PTVAZSWXZJPZEY-UHFFFAOYSA-N 1 0 415.921 3.829 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)NCc3cccs3)cc12 ZINC000004908007 132293058 /nfs/dbraw/zinc/29/30/58/132293058.db2.gz OOAYGBZBQZEBNW-UHFFFAOYSA-N 1 0 411.600 3.843 50 0 HHAARO Cc1[nH]c2ccc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)cc2c1C ZINC000006902294 132320321 /nfs/dbraw/zinc/32/03/21/132320321.db2.gz TZRVTZGKTLRTQC-UHFFFAOYSA-N 1 0 408.521 3.866 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cccc4ccccc43)CC2)[nH+]1 ZINC000009620671 132341778 /nfs/dbraw/zinc/34/17/78/132341778.db2.gz GKTZMUPQADHMBO-UHFFFAOYSA-N 1 0 415.541 3.891 50 0 HHAARO Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC000012545048 132362770 /nfs/dbraw/zinc/36/27/70/132362770.db2.gz SGJYHEXNXFOGIE-UHFFFAOYSA-N 1 0 411.594 3.787 50 0 HHAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1CCO ZINC000020598845 518662901 /nfs/dbraw/zinc/66/29/01/518662901.db2.gz UYRROJFNQPSPQD-FQEVSTJZSA-N 1 0 402.970 3.712 50 0 HHAARO CC(C)[NH+](CCNC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2)C(C)C ZINC000032244489 519648072 /nfs/dbraw/zinc/64/80/72/519648072.db2.gz DRKKJOSGEOVHLN-UHFFFAOYSA-N 1 0 415.559 3.853 50 0 HHAARO CC(=O)N[C@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000032930725 519696220 /nfs/dbraw/zinc/69/62/20/519696220.db2.gz BXRYPLBFKUNBSK-YADARESESA-N 1 0 407.558 3.802 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000032769507 519798598 /nfs/dbraw/zinc/79/85/98/519798598.db2.gz HNALXWMRBDUHPY-JOCHJYFZSA-N 1 0 411.546 3.582 50 0 HHAARO CC1CC[NH+]([C@H](CNC(=O)Cn2ccc(C(F)(F)F)n2)c2cccs2)CC1 ZINC000041299866 521037206 /nfs/dbraw/zinc/03/72/06/521037206.db2.gz UHSUNESZNDCTSU-CQSZACIVSA-N 1 0 400.470 3.553 50 0 HHAARO CCOc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3cc(C)oc3C)CC2)cc1C ZINC000043954303 521198931 /nfs/dbraw/zinc/19/89/31/521198931.db2.gz BXROFBZQBWVZBX-UHFFFAOYSA-N 1 0 420.575 3.794 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(SC)cc2)CN1Cc1ccccc1Cl ZINC000032540709 521744830 /nfs/dbraw/zinc/74/48/30/521744830.db2.gz BRTAIAWAOFNFNP-NQIIRXRSSA-N 1 0 418.006 3.931 50 0 HHAARO COc1cc(C[NH2+]CCc2ccccc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000020228734 522455503 /nfs/dbraw/zinc/45/55/03/522455503.db2.gz RLLZZQIEZZRABD-UHFFFAOYSA-N 1 0 401.470 3.796 50 0 HHAARO C[NH+]1CCC2(CC1)C[C@H](NC(=O)COc1ccc3c(c1)CCC3)c1ccccc1O2 ZINC000032676320 523785836 /nfs/dbraw/zinc/78/58/36/523785836.db2.gz ZUMIIFIAQAXMKW-QFIPXVFZSA-N 1 0 406.526 3.659 50 0 HHAARO COc1ccc(CCNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000032754961 523964342 /nfs/dbraw/zinc/96/43/42/523964342.db2.gz NQASDOHJALQZOZ-JPYJTQIMSA-N 1 0 411.546 3.771 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000032930752 524115194 /nfs/dbraw/zinc/11/51/94/524115194.db2.gz GIFYBHKBFYRIRW-GOSISDBHSA-N 1 0 414.571 3.536 50 0 HHAARO Cc1cc(C[NH+]2CCC(CNC(=O)C3(c4ccccc4)CCOCC3)CC2)c(C)o1 ZINC000043972782 524673415 /nfs/dbraw/zinc/67/34/15/524673415.db2.gz CBHIJMMUKPEHHT-UHFFFAOYSA-N 1 0 410.558 3.973 50 0 HHAARO Cc1ccccc1C(=O)Nc1nc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000040355420 525065183 /nfs/dbraw/zinc/06/51/83/525065183.db2.gz XTLLUHXJHJLVSD-UHFFFAOYSA-N 1 0 412.559 3.794 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000040160060 526578885 /nfs/dbraw/zinc/57/88/85/526578885.db2.gz BYIWOTXNMBQNCY-HXUWFJFHSA-N 1 0 407.543 3.664 50 0 HHAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2ccccc2OC)C1=O ZINC000002196572 535507802 /nfs/dbraw/zinc/50/78/02/535507802.db2.gz FJLLKUWKFOTYNV-LVZFUZTISA-N 1 0 407.514 3.545 50 0 HHAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 ZINC000009620391 535520665 /nfs/dbraw/zinc/52/06/65/535520665.db2.gz FNIZLTLYKSLJQD-UHFFFAOYSA-N 1 0 401.514 3.846 50 0 HHAARO CCN(CC[NH+](CC)CC)C(=O)c1sc2ncnc(N3CCCCC3)c2c1C ZINC000012040145 535523349 /nfs/dbraw/zinc/52/33/49/535523349.db2.gz LLRMCGOAGXRBQA-UHFFFAOYSA-N 1 0 403.596 3.794 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000002218910 535549191 /nfs/dbraw/zinc/54/91/91/535549191.db2.gz LZMKBTCUMPSQLV-OGTCDWKQSA-N 1 0 403.526 3.905 50 0 HHAARO O=C(C1CC1)N1C[C@@H](c2cccc(F)c2)[C@H](C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000034698399 557381098 /nfs/dbraw/zinc/38/10/98/557381098.db2.gz CGNJPKMWWWMXMP-QPPBQGQZSA-N 1 0 407.533 3.600 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002769369 557383295 /nfs/dbraw/zinc/38/32/95/557383295.db2.gz UQJNEUVNBNXCML-UHFFFAOYSA-N 1 0 401.461 3.796 50 0 HHAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000034685307 557388243 /nfs/dbraw/zinc/38/82/43/557388243.db2.gz HBWXKENBLVZCFZ-UHFFFAOYSA-N 1 0 417.528 3.849 50 0 HHAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)C3CC3)c(C)nn2-c2ccccc2)CC1 ZINC000034814891 557465647 /nfs/dbraw/zinc/46/56/47/557465647.db2.gz JVMAIQMNQAAJSH-UHFFFAOYSA-N 1 0 423.605 3.717 50 0 HHAARO O[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)COc1ccc(SC(F)(F)F)cc1 ZINC000004324483 557541579 /nfs/dbraw/zinc/54/15/79/557541579.db2.gz KCTVRNALCIZAGP-ZDUSSCGKSA-N 1 0 401.406 3.557 50 0 HHAARO O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000004679496 557580355 /nfs/dbraw/zinc/58/03/55/557580355.db2.gz BGZKXLXTOYBVFH-KPKJPENVSA-N 1 0 403.570 3.756 50 0 HHAARO C[C@@H](C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1 ZINC000004725544 557587304 /nfs/dbraw/zinc/58/73/04/557587304.db2.gz UBRLMYIFSYLLJQ-QFIPXVFZSA-N 1 0 405.586 3.847 50 0 HHAARO COc1ccc(CC[N@H+](C)Cc2cc(Br)c(O)c(OC)c2)cc1OC ZINC000004948400 557616309 /nfs/dbraw/zinc/61/63/09/557616309.db2.gz SWPAWVBUBOWCPW-UHFFFAOYSA-N 1 0 410.308 3.855 50 0 HHAARO COC(=O)c1ccc(OC[C@H](O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000005022404 557626749 /nfs/dbraw/zinc/62/67/49/557626749.db2.gz QLBVCVLDEMIUFX-HSZRJFAPSA-N 1 0 405.494 3.915 50 0 HHAARO O=S(=O)(c1ccccc1)N(C[C@@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000005022567 557626804 /nfs/dbraw/zinc/62/68/04/557626804.db2.gz WTZFAWWTWNWLNK-NRFANRHFSA-N 1 0 424.566 3.882 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000006287979 557698250 /nfs/dbraw/zinc/69/82/50/557698250.db2.gz XUGYMPMBGBMABQ-UHFFFAOYSA-N 1 0 423.369 3.872 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000022680819 557767723 /nfs/dbraw/zinc/76/77/23/557767723.db2.gz MPFXOCYITZBPPZ-YLJYHZDGSA-N 1 0 417.575 3.685 50 0 HHAARO CCOc1ccc(N2C[C@@](O)(c3ccc4c(c3)OCCO4)[N+]3=C2CCCCC3)cc1 ZINC000002974615 557775978 /nfs/dbraw/zinc/77/59/78/557775978.db2.gz YHJCGKQMZWJOGY-XMMPIXPASA-N 1 0 409.506 3.507 50 0 HHAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)c1=O ZINC000022696826 557783546 /nfs/dbraw/zinc/78/35/46/557783546.db2.gz KALQWBMBERBVTE-XMMPIXPASA-N 1 0 403.526 3.794 50 0 HHAARO O[C@H](COCc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019720980 558259307 /nfs/dbraw/zinc/25/93/07/558259307.db2.gz MSSZMIUMUQIRJI-SANMLTNESA-N 1 0 416.565 3.971 50 0 HHAARO Cc1nc(CC[NH2+]Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)sc1C ZINC000019744855 558265554 /nfs/dbraw/zinc/26/55/54/558265554.db2.gz KBMXKIKABPHRRQ-UHFFFAOYSA-N 1 0 411.575 3.674 50 0 HHAARO Cc1nnc(SCC(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)s1 ZINC000011765328 558273861 /nfs/dbraw/zinc/27/38/61/558273861.db2.gz LZBYIISPHJFZRC-SFHVURJKSA-N 1 0 418.632 3.660 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000011770273 558274336 /nfs/dbraw/zinc/27/43/36/558274336.db2.gz IAEXNCQILPFEDN-NRFANRHFSA-N 1 0 411.590 3.729 50 0 HHAARO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000011818741 558281866 /nfs/dbraw/zinc/28/18/66/558281866.db2.gz XEAOYOOEWMDBDA-GOSISDBHSA-N 1 0 411.521 3.789 50 0 HHAARO C[NH+]1CCN([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000019796762 558284497 /nfs/dbraw/zinc/28/44/97/558284497.db2.gz YVBQYMYNFVJQBD-NRFANRHFSA-N 1 0 424.932 3.714 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)C[C@H](O)c1ccccc1 ZINC000019798903 558285156 /nfs/dbraw/zinc/28/51/56/558285156.db2.gz YWEUUPIJJXPPGJ-QFIPXVFZSA-N 1 0 420.557 3.824 50 0 HHAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000011874105 558291645 /nfs/dbraw/zinc/29/16/45/558291645.db2.gz KDKXTZWGVDGZEI-HXUWFJFHSA-N 1 0 409.555 3.566 50 0 HHAARO CC[N@@H+](Cc1ccccc1OCCO)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011878513 558292976 /nfs/dbraw/zinc/29/29/76/558292976.db2.gz JGHVJTJCBLHBRE-JOCHJYFZSA-N 1 0 414.565 3.973 50 0 HHAARO O=C(c1nc2ccccn2c1C[NH2+]Cc1cc2cc(Cl)ccc2[nH]1)N1CCCC1 ZINC000019838114 558293397 /nfs/dbraw/zinc/29/33/97/558293397.db2.gz UKTZWYAOLAPYOR-UHFFFAOYSA-N 1 0 407.905 3.995 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cn(CC)nc2C)C1 ZINC000011879387 558293995 /nfs/dbraw/zinc/29/39/95/558293995.db2.gz KFAFOGSDCSNULQ-QFIPXVFZSA-N 1 0 405.489 3.878 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3ccc(SC)cc3)C[C@@H]2CCO)cc1 ZINC000019841417 558294173 /nfs/dbraw/zinc/29/41/73/558294173.db2.gz BTFJEQVQNXNDFY-NRFANRHFSA-N 1 0 400.588 3.876 50 0 HHAARO Cc1cc(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)ccc1Br ZINC000019853539 558296162 /nfs/dbraw/zinc/29/61/62/558296162.db2.gz HHLPBUQPFJWKRI-UHFFFAOYSA-N 1 0 416.363 3.904 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000011934117 558298716 /nfs/dbraw/zinc/29/87/16/558298716.db2.gz ZAGAYOJZYQAPMC-JOCHJYFZSA-N 1 0 403.906 3.895 50 0 HHAARO Cc1cccn2c(C[NH2+][C@@H](C)CCCC(C)(C)O)c(C(=O)N3CCCCC3)nc12 ZINC000011935447 558299430 /nfs/dbraw/zinc/29/94/30/558299430.db2.gz RFTPNPCVSYSUBX-SFHVURJKSA-N 1 0 400.567 3.688 50 0 HHAARO CC1CC[NH+](CCC2CCN([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)CC1 ZINC000019890156 558303051 /nfs/dbraw/zinc/30/30/51/558303051.db2.gz JXZIDTIGLNTOQQ-OAQYLSRUSA-N 1 0 417.981 3.806 50 0 HHAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@H]1CCC(=O)N(C2CCCCCC2)C1 ZINC000012020576 558309472 /nfs/dbraw/zinc/30/94/72/558309472.db2.gz JBQWEWSFACOECP-FQEVSTJZSA-N 1 0 403.611 3.863 50 0 HHAARO OC[C@@H]1CCCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000012028392 558310729 /nfs/dbraw/zinc/31/07/29/558310729.db2.gz KZMPPEGHWBFNSS-NRFANRHFSA-N 1 0 405.498 3.674 50 0 HHAARO O=C(c1cn(Cc2cccc3ccccc32)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000012031043 558311392 /nfs/dbraw/zinc/31/13/92/558311392.db2.gz KKHUXAJPCYLCMR-UHFFFAOYSA-N 1 0 403.530 3.570 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1ccccc1OC ZINC000012073676 558318629 /nfs/dbraw/zinc/31/86/29/558318629.db2.gz BDPJWZBCHYAYKD-UHFFFAOYSA-N 1 0 414.521 3.835 50 0 HHAARO Cc1ccc(-n2cccn2)c(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c1 ZINC000012076177 558319872 /nfs/dbraw/zinc/31/98/72/558319872.db2.gz BWPSUWIZTOIOJT-IBGZPJMESA-N 1 0 406.505 3.962 50 0 HHAARO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C(=O)N1c1ccc(OC(F)(F)Cl)cc1 ZINC000020189479 558344339 /nfs/dbraw/zinc/34/43/39/558344339.db2.gz XBRSNWHJKFZNMO-HNNXBMFYSA-N 1 0 415.223 3.930 50 0 HHAARO COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000012191659 558347966 /nfs/dbraw/zinc/34/79/66/558347966.db2.gz HIHGFTWCABWDHJ-RTWAWAEBSA-N 1 0 400.544 3.661 50 0 HHAARO O[C@@H](COc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020294432 558354211 /nfs/dbraw/zinc/35/42/11/558354211.db2.gz MIEQTGGXHMZWBB-XMMPIXPASA-N 1 0 402.538 3.834 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)c1 ZINC000020294593 558354555 /nfs/dbraw/zinc/35/45/55/558354555.db2.gz JGUCXMRYILQGSW-HXUWFJFHSA-N 1 0 413.537 3.630 50 0 HHAARO COc1cccc(CN2CCC[C@]3(CC[N@H+](CCc4ccccc4)C3)C2=O)c1OC ZINC000020321792 558355343 /nfs/dbraw/zinc/35/53/43/558355343.db2.gz BUBHLRLSKLWNFF-RUZDIDTESA-N 1 0 408.542 3.761 50 0 HHAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)[nH]2)C1 ZINC000012245356 558361510 /nfs/dbraw/zinc/36/15/10/558361510.db2.gz RYRMZYLGUDNAFM-AWEZNQCLSA-N 1 0 407.436 3.556 50 0 HHAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+]([C@H](C)Cc2cc(C)ccn2)CC1 ZINC000020450720 558365443 /nfs/dbraw/zinc/36/54/43/558365443.db2.gz MYJMDHNEGYCHGR-GOSISDBHSA-N 1 0 423.557 3.765 50 0 HHAARO CSCCC[N@@H+]1CCC[C@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000012302122 558371849 /nfs/dbraw/zinc/37/18/49/558371849.db2.gz ZCXYARUFIAYZNP-JOCHJYFZSA-N 1 0 403.636 3.576 50 0 HHAARO CC1(C)C[C@@H](NC(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)CCO1 ZINC000012319118 558381677 /nfs/dbraw/zinc/38/16/77/558381677.db2.gz YWAVZMYEUHMVHK-FQEVSTJZSA-N 1 0 423.557 3.812 50 0 HHAARO CCCn1ncc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2)C3)c1C ZINC000012430318 558405028 /nfs/dbraw/zinc/40/50/28/558405028.db2.gz KSLOZTCNBJBQOT-XMMPIXPASA-N 1 0 410.562 3.738 50 0 HHAARO CN(C)c1ccc(CCC(=O)N(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012436161 558409080 /nfs/dbraw/zinc/40/90/80/558409080.db2.gz XWDAYJWUUIIOHO-DEOSSOPVSA-N 1 0 405.586 3.775 50 0 HHAARO c1c2ccccc2oc1-c1nn(Cc2ccccc2)cc1C[NH2+]C[C@H]1COCCO1 ZINC000012440473 558411766 /nfs/dbraw/zinc/41/17/66/558411766.db2.gz SKVOPWWDEMFKCH-NRFANRHFSA-N 1 0 403.482 3.850 50 0 HHAARO OCC[C@H]1CN(C2CCN(c3ccccc3F)CC2)CC[N@@H+]1CC1CCCCC1 ZINC000020775792 558412196 /nfs/dbraw/zinc/41/21/96/558412196.db2.gz BKWHKVZWAQBGPB-QFIPXVFZSA-N 1 0 403.586 3.743 50 0 HHAARO CCN(CC[NH+](CC)CC)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C ZINC000012456586 558417474 /nfs/dbraw/zinc/41/74/74/558417474.db2.gz IDSSNBQHDITEGV-UHFFFAOYSA-N 1 0 412.563 3.503 50 0 HHAARO COCCNC(=O)c1ccc(OC)cc1OC1CC[NH+](CCCC2CCCC2)CC1 ZINC000012465530 558420500 /nfs/dbraw/zinc/42/05/00/558420500.db2.gz IUXNAZPFOMIZAZ-UHFFFAOYSA-N 1 0 418.578 3.885 50 0 HHAARO COC(=O)c1ccccc1C(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012578037 558431509 /nfs/dbraw/zinc/43/15/09/558431509.db2.gz GAZUVUQKVUUQRW-IBGZPJMESA-N 1 0 412.505 3.639 50 0 HHAARO COC(=O)c1cccc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)c1 ZINC000012587216 558434352 /nfs/dbraw/zinc/43/43/52/558434352.db2.gz KUGXBDSNVSOEHR-HXUWFJFHSA-N 1 0 408.542 3.808 50 0 HHAARO CCn1nc(C)c(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1C ZINC000012594111 558436887 /nfs/dbraw/zinc/43/68/87/558436887.db2.gz WGYHTASHUZSTRV-JOCHJYFZSA-N 1 0 424.633 3.848 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000021807537 558450890 /nfs/dbraw/zinc/45/08/90/558450890.db2.gz IUFXCNCIVCEPMQ-HXUWFJFHSA-N 1 0 419.481 3.680 50 0 HHAARO Cc1cc(C)c(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)c(=O)[nH]1 ZINC000012712672 558453632 /nfs/dbraw/zinc/45/36/32/558453632.db2.gz ZBCUHANVBOGLOF-RUZDIDTESA-N 1 0 407.558 3.553 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000021890184 558454241 /nfs/dbraw/zinc/45/42/41/558454241.db2.gz MYKLWHQSFVALME-UHFFFAOYSA-N 1 0 413.465 3.648 50 0 HHAARO COc1cc(C[NH2+]CCN(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000022075615 558462492 /nfs/dbraw/zinc/46/24/92/558462492.db2.gz LCZXLALXESUFKO-UHFFFAOYSA-N 1 0 411.315 3.827 50 0 HHAARO CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012806287 558473828 /nfs/dbraw/zinc/47/38/28/558473828.db2.gz BBQYEPUWFVGESX-UHFFFAOYSA-N 1 0 411.521 3.590 50 0 HHAARO OCC[C@H]1CN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[N@@H+]1C1CCCCC1 ZINC000022913890 558520775 /nfs/dbraw/zinc/52/07/75/558520775.db2.gz USWOHPYHDMQLHR-NRFANRHFSA-N 1 0 402.970 3.931 50 0 HHAARO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@@H+]1CCc1ccccc1 ZINC000022932729 558524916 /nfs/dbraw/zinc/52/49/16/558524916.db2.gz HWASPSPGVHLQBT-JOCHJYFZSA-N 1 0 407.583 3.921 50 0 HHAARO C[N@H+](CCc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000023128945 558536670 /nfs/dbraw/zinc/53/66/70/558536670.db2.gz DUEYJYGKJWDQKJ-DEOSSOPVSA-N 1 0 415.537 3.857 50 0 HHAARO COc1ccc(OC)c(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)c1 ZINC000023283390 558547513 /nfs/dbraw/zinc/54/75/13/558547513.db2.gz REFHONVCEVSLPT-UHFFFAOYSA-N 1 0 406.320 3.950 50 0 HHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)c(C)c1 ZINC000023340041 558550680 /nfs/dbraw/zinc/55/06/80/558550680.db2.gz FCIXDBXTCRSKHK-QFIPXVFZSA-N 1 0 421.545 3.673 50 0 HHAARO CCN1CCN(C(=O)[C@@H](C)[NH2+]C[C@@H](c2cccs2)c2c[nH]c3ccccc32)CC1 ZINC000024258845 558593338 /nfs/dbraw/zinc/59/33/38/558593338.db2.gz RGXHXEQOMFBAJA-YLJYHZDGSA-N 1 0 410.587 3.504 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1cccs1)N1CCOCC1)O[C@H](C)C2 ZINC000024763097 558611235 /nfs/dbraw/zinc/61/12/35/558611235.db2.gz SFCMUGLNFWUXPT-APWZRJJASA-N 1 0 402.560 3.633 50 0 HHAARO Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)c12 ZINC000024837335 558616271 /nfs/dbraw/zinc/61/62/71/558616271.db2.gz DCRAXPLXZLQELM-OAQYLSRUSA-N 1 0 405.546 3.967 50 0 HHAARO CCOC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000014094524 558619430 /nfs/dbraw/zinc/61/94/30/558619430.db2.gz XMOPAPDNZLLJKW-NRFANRHFSA-N 1 0 411.502 3.831 50 0 HHAARO Cc1ccccc1OCn1ccc(C(=O)N[C@H](CC[NH+](C)C)c2ccc(F)cc2)n1 ZINC000072258863 558654410 /nfs/dbraw/zinc/65/44/10/558654410.db2.gz KKPNZKMDZOLAPV-HXUWFJFHSA-N 1 0 410.493 3.790 50 0 HHAARO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](C(C)C)CC3)C2=O)c1 ZINC000014538152 558658918 /nfs/dbraw/zinc/65/89/18/558658918.db2.gz QAMSEVPPZGUZDR-UHFFFAOYSA-N 1 0 401.551 3.749 50 0 HHAARO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014733345 558666156 /nfs/dbraw/zinc/66/61/56/558666156.db2.gz AUTOBCAOKNGENR-VQTJNVASSA-N 1 0 414.521 3.821 50 0 HHAARO CCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014744572 558668481 /nfs/dbraw/zinc/66/84/81/558668481.db2.gz RDDPUAOUOVXEBZ-HXUWFJFHSA-N 1 0 423.582 3.964 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C1CCCCCCC1)C2 ZINC000014749138 558670216 /nfs/dbraw/zinc/67/02/16/558670216.db2.gz PNCRFJZSYOIXLH-FQEVSTJZSA-N 1 0 416.610 3.571 50 0 HHAARO C[NH+](C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)c1ccccc1 ZINC000027150492 558670314 /nfs/dbraw/zinc/67/03/14/558670314.db2.gz KDLLNOFSDNBCAF-QFIPXVFZSA-N 1 0 419.525 3.648 50 0 HHAARO Cc1nonc1C[NH2+]C1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)CC1 ZINC000014982030 558692241 /nfs/dbraw/zinc/69/22/41/558692241.db2.gz QGIUHNBAXNMMPL-QGZVFWFLSA-N 1 0 419.529 3.628 50 0 HHAARO COc1cccc(CN2C(=O)CC[C@@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000014988288 558693297 /nfs/dbraw/zinc/69/32/97/558693297.db2.gz DEFRAKHAPCZYJF-QGZVFWFLSA-N 1 0 416.905 3.748 50 0 HHAARO CCCOc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287522 558694797 /nfs/dbraw/zinc/69/47/97/558694797.db2.gz KOYPFIWBSNEQBX-OAQYLSRUSA-N 1 0 415.965 3.847 50 0 HHAARO O=C1CC[N@H+](Cc2cccc(OCc3ccccc3)c2)CCN1Cc1cccnc1 ZINC000015003228 558698349 /nfs/dbraw/zinc/69/83/49/558698349.db2.gz AUAKVLHLYQCUHM-UHFFFAOYSA-N 1 0 401.510 3.895 50 0 HHAARO C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072277372 558703418 /nfs/dbraw/zinc/70/34/18/558703418.db2.gz LPDKOVIRMUYWOW-NZQKXSOJSA-N 1 0 409.574 3.660 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)CCNC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000029164911 558711014 /nfs/dbraw/zinc/71/10/14/558711014.db2.gz CGZSCYLMVCXMHZ-FQEVSTJZSA-N 1 0 401.938 3.659 50 0 HHAARO CCOCCC[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccc(C)cc4)c(=O)c32)C1 ZINC000015069327 558711711 /nfs/dbraw/zinc/71/17/11/558711711.db2.gz OVNFLLHYWBWVIS-SFHVURJKSA-N 1 0 411.571 3.688 50 0 HHAARO COc1ccc(C(=O)Nc2ccnn2C2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000015069628 558711943 /nfs/dbraw/zinc/71/19/43/558711943.db2.gz SLISJERVQIEYDR-UHFFFAOYSA-N 1 0 420.513 3.990 50 0 HHAARO C[N@H+](CC(=O)Nc1cc2c(cc1Br)OCCO2)[C@H]1CCc2ccccc21 ZINC000029489094 558715735 /nfs/dbraw/zinc/71/57/35/558715735.db2.gz AIVOITKOGGOEDC-KRWDZBQOSA-N 1 0 417.303 3.778 50 0 HHAARO O=c1c2ccccc2c(-c2ccccc2)nn1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000029501009 558716016 /nfs/dbraw/zinc/71/60/16/558716016.db2.gz KNAISIRJYMJRBO-UHFFFAOYSA-N 1 0 424.548 3.881 50 0 HHAARO CC(C)[C@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)NC(=O)OC(C)(C)C ZINC000072286245 558717291 /nfs/dbraw/zinc/71/72/91/558717291.db2.gz ICNZVDYTVZCTDN-AWEZNQCLSA-N 1 0 415.328 3.817 50 0 HHAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCCc1cn2ccccc2n1 ZINC000072289643 558722114 /nfs/dbraw/zinc/72/21/14/558722114.db2.gz RCPJXXDIBJHPEK-QFIPXVFZSA-N 1 0 419.573 3.649 50 0 HHAARO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000072303668 558756555 /nfs/dbraw/zinc/75/65/55/558756555.db2.gz FABNVTJRHZMFQA-HXUWFJFHSA-N 1 0 404.514 3.650 50 0 HHAARO CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000060239051 558781905 /nfs/dbraw/zinc/78/19/05/558781905.db2.gz HMNCQFZDCQTNLD-UHFFFAOYSA-N 1 0 403.567 3.982 50 0 HHAARO CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016751532 558804889 /nfs/dbraw/zinc/80/48/89/558804889.db2.gz MNMKPBHGPOWQBN-NRFANRHFSA-N 1 0 408.473 3.991 50 0 HHAARO CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000016751521 558804914 /nfs/dbraw/zinc/80/49/14/558804914.db2.gz QSMUAZOIDSNLBY-NRFANRHFSA-N 1 0 424.472 3.828 50 0 HHAARO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(CSc4nccn4C)o3)C2)CC1 ZINC000060275151 558805954 /nfs/dbraw/zinc/80/59/54/558805954.db2.gz KYEFDGZDJQWJBS-SFHVURJKSA-N 1 0 416.591 3.890 50 0 HHAARO CCCCN(C)C(=O)c1nc2ccccn2c1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000039413221 558821170 /nfs/dbraw/zinc/82/11/70/558821170.db2.gz OUKOGGNFXGTROH-NRFANRHFSA-N 1 0 419.573 3.695 50 0 HHAARO COc1ccc2[nH]c(C)c(CC[NH2+]Cc3c(C)n(C)n(-c4ccccc4)c3=O)c2c1 ZINC000004593997 558831916 /nfs/dbraw/zinc/83/19/16/558831916.db2.gz QKVFCPVVVPXKQD-UHFFFAOYSA-N 1 0 404.514 3.615 50 0 HHAARO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 ZINC000019112654 558841699 /nfs/dbraw/zinc/84/16/99/558841699.db2.gz FRYSEKCYGABFJU-LJQANCHMSA-N 1 0 423.557 3.658 50 0 HHAARO O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000072328683 558864266 /nfs/dbraw/zinc/86/42/66/558864266.db2.gz WPHGFOKVXLYPLS-UHFFFAOYSA-N 1 0 417.351 3.930 50 0 HHAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000055037036 558870191 /nfs/dbraw/zinc/87/01/91/558870191.db2.gz VFJPAXOOIZRONW-UHFFFAOYSA-N 1 0 419.569 3.809 50 0 HHAARO CN(Cc1nccs1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000055183426 558875283 /nfs/dbraw/zinc/87/52/83/558875283.db2.gz UQAVEWSZATZHEC-HXUWFJFHSA-N 1 0 403.592 3.779 50 0 HHAARO CC[C@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2cc(OC)ccc2O1 ZINC000055343262 558879678 /nfs/dbraw/zinc/87/96/78/558879678.db2.gz BHTFDWAMVUJYQX-FQEVSTJZSA-N 1 0 407.514 3.666 50 0 HHAARO Cc1c(C(=O)Nc2ccccc2Cl)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048272 558885137 /nfs/dbraw/zinc/88/51/37/558885137.db2.gz KQFLBRUOLWDLLW-UHFFFAOYSA-N 1 0 401.923 3.657 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)c2cc(F)c(F)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000033135295 558888133 /nfs/dbraw/zinc/88/81/33/558888133.db2.gz YEAOBLKYVJVGHI-HXUWFJFHSA-N 1 0 407.892 3.727 50 0 HHAARO C[C@H](Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(=O)NCc1ccco1 ZINC000058176727 558909613 /nfs/dbraw/zinc/90/96/13/558909613.db2.gz JMFBEJWGWCODTR-FQEVSTJZSA-N 1 0 418.541 3.719 50 0 HHAARO FC(F)(F)c1nc2ccccc2c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000058176691 558909653 /nfs/dbraw/zinc/90/96/53/558909653.db2.gz BZAJHQORJKQNDF-UHFFFAOYSA-N 1 0 402.420 3.850 50 0 HHAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 ZINC000058315620 558919159 /nfs/dbraw/zinc/91/91/59/558919159.db2.gz SQKGSRLMKITFFQ-CQSZACIVSA-N 1 0 406.313 3.943 50 0 HHAARO CC[N@H+](CCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)C(C)C ZINC000058370273 558922613 /nfs/dbraw/zinc/92/26/13/558922613.db2.gz NSARFDHOXIUOOK-UHFFFAOYSA-N 1 0 423.966 3.601 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2F)CC1 ZINC000058433725 558926585 /nfs/dbraw/zinc/92/65/85/558926585.db2.gz PMFWAPMBWPJEOA-CYBMUJFWSA-N 1 0 401.320 3.592 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)[nH+]1 ZINC000072119356 558927958 /nfs/dbraw/zinc/92/79/58/558927958.db2.gz CTRPJSJBRCILHT-UHFFFAOYSA-N 1 0 417.916 3.530 50 0 HHAARO Cc1ccc(C[N@@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)s1 ZINC000019595389 558946153 /nfs/dbraw/zinc/94/61/53/558946153.db2.gz ITWSFRNMQXVAFO-FQEVSTJZSA-N 1 0 413.587 3.567 50 0 HHAARO CC(C)n1cc(-c2cc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c3ccccc3n2)cn1 ZINC000063870723 558960581 /nfs/dbraw/zinc/96/05/81/558960581.db2.gz LHBGXBSVHLOJOT-IBGZPJMESA-N 1 0 403.530 3.990 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064800386 558966006 /nfs/dbraw/zinc/96/60/06/558966006.db2.gz DGIOFKFOGLWFGS-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065363484 558974546 /nfs/dbraw/zinc/97/45/46/558974546.db2.gz ZCLQYBSXWPRYLC-UHFFFAOYSA-N 1 0 412.513 3.577 50 0 HHAARO O=C(CC[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1nccs1 ZINC000065397271 558977245 /nfs/dbraw/zinc/97/72/45/558977245.db2.gz BKRUCDVKAMVWPJ-UHFFFAOYSA-N 1 0 401.467 3.540 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc(N2CCCC2)[nH+]1 ZINC000072436873 558980340 /nfs/dbraw/zinc/98/03/40/558980340.db2.gz AAUZKXVFMNINJH-UHFFFAOYSA-N 1 0 418.904 3.532 50 0 HHAARO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000021961569 558982724 /nfs/dbraw/zinc/98/27/24/558982724.db2.gz MOZNBQBLDNWJNP-UHFFFAOYSA-N 1 0 422.529 3.519 50 0 HHAARO COc1ccc(OC)c(-c2nc3cc4c(cc3cc2C[N@@H+]2CCCOCC2)OCO4)c1 ZINC000072473167 558983532 /nfs/dbraw/zinc/98/35/32/558983532.db2.gz VOYWPUJHJPUWJK-UHFFFAOYSA-N 1 0 422.481 3.870 50 0 HHAARO COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000067614196 558989407 /nfs/dbraw/zinc/98/94/07/558989407.db2.gz YEPCAZDQNOWOBS-UHFFFAOYSA-N 1 0 410.923 3.622 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3ccc4ccccc4c3)CC2)nc(N2CCCC2)[nH+]1 ZINC000067629611 558990308 /nfs/dbraw/zinc/99/03/08/558990308.db2.gz GTZWOZHHMFHIDF-UHFFFAOYSA-N 1 0 416.529 3.893 50 0 HHAARO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000067629921 558990331 /nfs/dbraw/zinc/99/03/31/558990331.db2.gz SBBOVEDJVLLPGL-UHFFFAOYSA-N 1 0 416.934 3.980 50 0 HHAARO O=C(CC[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1)NC1CC1 ZINC000067743063 558992223 /nfs/dbraw/zinc/99/22/23/558992223.db2.gz XVONTZMVQWXXDE-UHFFFAOYSA-N 1 0 401.510 3.882 50 0 HHAARO Cc1c2cc(CNC(=O)C3CC[NH+](CCO)CC3)ccc2[nH]c1-c1ccccc1F ZINC000077320290 559001213 /nfs/dbraw/zinc/00/12/13/559001213.db2.gz IKFPTTBRMRAKBV-UHFFFAOYSA-N 1 0 409.505 3.603 50 0 HHAARO [NH3+][C@H](C(=O)Nc1nn(Cc2ccccc2)c2cccc(Oc3cccnc3)c21)C1CC1 ZINC000077471212 559006533 /nfs/dbraw/zinc/00/65/33/559006533.db2.gz OQKXPQQYEYXQKT-QFIPXVFZSA-N 1 0 413.481 3.948 50 0 HHAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000023127656 559016011 /nfs/dbraw/zinc/01/60/11/559016011.db2.gz WGHZYNISCWFNFR-UHFFFAOYSA-N 1 0 408.951 3.539 50 0 HHAARO O=C(NC1CCCCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082083833 559036620 /nfs/dbraw/zinc/03/66/20/559036620.db2.gz ZCLNJGMGKIGSLU-QFIPXVFZSA-N 1 0 412.622 3.987 50 0 HHAARO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000082139246 559040838 /nfs/dbraw/zinc/04/08/38/559040838.db2.gz AIEYWUUNZPCUFT-QHCPKHFHSA-N 1 0 410.606 3.765 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000033278760 559042330 /nfs/dbraw/zinc/04/23/30/559042330.db2.gz UQAPXLUHWFUBAO-UHFFFAOYSA-N 1 0 415.921 3.909 50 0 HHAARO CC(C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004778507 559061293 /nfs/dbraw/zinc/06/12/93/559061293.db2.gz OQBUQQIWONWVCA-POOLCLQXSA-N 1 0 413.606 3.734 50 0 HHAARO Cc1cnc(CN2CC3(CCC2=O)CCN(c2cc[nH+]c4ccccc42)CC3)cn1 ZINC000095378847 559080529 /nfs/dbraw/zinc/08/05/29/559080529.db2.gz KOVHTIKMDIJZMU-UHFFFAOYSA-N 1 0 401.514 3.742 50 0 HHAARO COC(=O)c1ccc(N2CCCC2)c(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000046467874 559147325 /nfs/dbraw/zinc/14/73/25/559147325.db2.gz NRIAKKRKGDTZKI-IBGZPJMESA-N 1 0 413.522 3.506 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000023866322 559181406 /nfs/dbraw/zinc/18/14/06/559181406.db2.gz APWQTIOMIMSNBC-HSZRJFAPSA-N 1 0 408.521 3.619 50 0 HHAARO CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N[C@@H](CC[NH+](C)C)Cc1ccccc1 ZINC000004872543 559194607 /nfs/dbraw/zinc/19/46/07/559194607.db2.gz KXVQGLRGUCNYMM-GOTSBHOMSA-N 1 0 415.622 3.777 50 0 HHAARO CC(C)[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000004872382 559194618 /nfs/dbraw/zinc/19/46/18/559194618.db2.gz WDNUPQJQJLLHTM-CBNMVNINSA-N 1 0 407.643 3.972 50 0 HHAARO CCn1c(=O)cc(SCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc21 ZINC000004936640 559211879 /nfs/dbraw/zinc/21/18/79/559211879.db2.gz KDYBMDISUGSWQD-QZTJIDSGSA-N 1 0 415.603 3.598 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[N@@H+]3CCCC[C@H]3CC)c21 ZINC000005093306 559244115 /nfs/dbraw/zinc/24/41/15/559244115.db2.gz RLRWJSBKYYIQDT-MRXNPFEDSA-N 1 0 415.534 3.875 50 0 HHAARO O=C(CCOc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000011840655 559261498 /nfs/dbraw/zinc/26/14/98/559261498.db2.gz POUXWPUAXQXAOM-UHFFFAOYSA-N 1 0 420.513 3.833 50 0 HHAARO O=C(c1ccccc1-c1ncc[nH]1)N1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000011935939 559268668 /nfs/dbraw/zinc/26/86/68/559268668.db2.gz RHTDVDHNLFJGBR-QGZVFWFLSA-N 1 0 404.470 3.565 50 0 HHAARO CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)NCC[NH+](CC)CC)c1=O ZINC000012016377 559271233 /nfs/dbraw/zinc/27/12/33/559271233.db2.gz SIZPAXWNZKUZLZ-UHFFFAOYSA-N 1 0 418.541 3.669 50 0 HHAARO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000005164248 559275786 /nfs/dbraw/zinc/27/57/86/559275786.db2.gz ZVKBSENSURYYII-QTJGBDASSA-N 1 0 400.563 3.812 50 0 HHAARO COc1ccc2c(C)c(CCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)oc2c1C ZINC000005243515 560549955 /nfs/dbraw/zinc/54/99/55/560549955.db2.gz IUVPSCQGFJTYTH-UHFFFAOYSA-N 1 0 414.546 3.776 50 0 HHAARO CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000006358463 560559010 /nfs/dbraw/zinc/55/90/10/560559010.db2.gz ALCGUZLBKILMTQ-YUXAGFNASA-N 1 0 411.546 3.747 50 0 HHAARO COC(=O)N1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)CC1 ZINC000583652242 560779319 /nfs/dbraw/zinc/77/93/19/560779319.db2.gz DUEDHAJLEKFMML-WOJBJXKFSA-N 1 0 417.550 3.600 50 0 HHAARO CC(C)COC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984308 560858951 /nfs/dbraw/zinc/85/89/51/560858951.db2.gz SUEWZKUMSAHMSS-DHIUTWEWSA-N 1 0 414.521 3.854 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000106576145 560892509 /nfs/dbraw/zinc/89/25/09/560892509.db2.gz FJNSNQCJKHTLOS-XZOQPEGZSA-N 1 0 406.574 3.724 50 0 HHAARO Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048287215 568434571 /nfs/dbraw/zinc/43/45/71/568434571.db2.gz SNIVGGFGVCDKAO-UHFFFAOYSA-N 1 0 422.495 3.899 50 0 HHAARO CCc1ccccc1NC(=O)CN1CCN(c2cc(C)[nH+]c3ccc(OC)cc32)CC1 ZINC000048302685 568437780 /nfs/dbraw/zinc/43/77/80/568437780.db2.gz BHBRKKSLLWJIPO-UHFFFAOYSA-N 1 0 418.541 3.875 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCOc3c(C)cccc3C)cc2)CC1 ZINC000048302981 568437787 /nfs/dbraw/zinc/43/77/87/568437787.db2.gz ZNABXAMUYAMLQY-UHFFFAOYSA-N 1 0 409.574 3.526 50 0 HHAARO CC[N@H+](C)Cc1cccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1 ZINC000048325517 568438663 /nfs/dbraw/zinc/43/86/63/568438663.db2.gz LLARBGZVTDZMAY-OUKQBFOZSA-N 1 0 419.569 3.707 50 0 HHAARO COC(=O)CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccc(C)cc1)CC(C)C ZINC000048368993 568442242 /nfs/dbraw/zinc/44/22/42/568442242.db2.gz LQYFWCZZOMGVIX-QFIPXVFZSA-N 1 0 402.560 3.783 50 0 HHAARO CC(=O)Nc1nc(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cs1 ZINC000048886709 568443510 /nfs/dbraw/zinc/44/35/10/568443510.db2.gz AWZXQLQOZTWDSH-HUUCEWRRSA-N 1 0 400.548 3.509 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2cccs2)C1 ZINC000048886578 568443512 /nfs/dbraw/zinc/44/35/12/568443512.db2.gz ZKOHPONMMDNOKS-ROUUACIJSA-N 1 0 413.587 3.614 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)N4CC[NH+](C(C)C)CC4)C3)nn2)cc1C ZINC000048990550 568444276 /nfs/dbraw/zinc/44/42/76/568444276.db2.gz HEABEBKFEMRMHT-QFIPXVFZSA-N 1 0 421.589 3.529 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1cc(C)n(C)n1)c1nc2c(s1)c(C)ccc2OC ZINC000012286725 568458712 /nfs/dbraw/zinc/45/87/12/568458712.db2.gz AOFMTRXQXMFYON-UHFFFAOYSA-N 1 0 415.563 3.644 50 0 HHAARO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328356 568472064 /nfs/dbraw/zinc/47/20/64/568472064.db2.gz FMXDDIVMBJCQBG-LJQANCHMSA-N 1 0 411.571 3.718 50 0 HHAARO O=C(CCc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000024616910 568512378 /nfs/dbraw/zinc/51/23/78/568512378.db2.gz JCKWGZHNLXNPJN-UHFFFAOYSA-N 1 0 402.494 3.846 50 0 HHAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=S)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000020153763 568590847 /nfs/dbraw/zinc/59/08/47/568590847.db2.gz GOODFGGXVXZAFS-IRXDYDNUSA-N 1 0 411.619 3.970 50 0 HHAARO CC1(C)CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000095351029 568601013 /nfs/dbraw/zinc/60/10/13/568601013.db2.gz IFAISOYGAXAWRV-UHFFFAOYSA-N 1 0 413.949 3.583 50 0 HHAARO C[NH+]1CCN(C[C@@H](NC(=O)NCc2ccc3ccccc3c2)c2ccccc2)CC1 ZINC000095351223 568601101 /nfs/dbraw/zinc/60/11/01/568601101.db2.gz QWLMIMULPNMNTR-XMMPIXPASA-N 1 0 402.542 3.628 50 0 HHAARO COc1cc(-c2noc(C[N@H+](C(C)C)[C@H]3CCCC[C@@H]3O)n2)ccc1OC(F)F ZINC000095435058 568609583 /nfs/dbraw/zinc/60/95/83/568609583.db2.gz MFWWLKNNZOSBRR-GJZGRUSLSA-N 1 0 411.449 3.861 50 0 HHAARO C[C@@H]1C[C@@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447031 568612242 /nfs/dbraw/zinc/61/22/42/568612242.db2.gz QMIZSJPTEGBPQM-CTNGQTDRSA-N 1 0 405.542 3.953 50 0 HHAARO O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000095459045 568619270 /nfs/dbraw/zinc/61/92/70/568619270.db2.gz CDBMKGWVUHATAH-UHFFFAOYSA-N 1 0 413.522 3.808 50 0 HHAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000095463312 568621904 /nfs/dbraw/zinc/62/19/04/568621904.db2.gz RQTWBDIXNLJTFS-UHFFFAOYSA-N 1 0 416.525 3.599 50 0 HHAARO COc1ccccc1N1CCC[C@@H]([NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)C1 ZINC000095940792 568661774 /nfs/dbraw/zinc/66/17/74/568661774.db2.gz XVEQVJISUKNOPN-YADHBBJMSA-N 1 0 405.546 3.985 50 0 HHAARO O=C(C[N@H+]1CCC[C@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000225674774 568662968 /nfs/dbraw/zinc/66/29/68/568662968.db2.gz MGJIIOPJSSOTGX-HXUWFJFHSA-N 1 0 408.420 3.897 50 0 HHAARO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095996278 568678760 /nfs/dbraw/zinc/67/87/60/568678760.db2.gz GROSREIMQAXVAN-APWZRJJASA-N 1 0 405.539 3.652 50 0 HHAARO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095996277 568678909 /nfs/dbraw/zinc/67/89/09/568678909.db2.gz GROSREIMQAXVAN-LPHOPBHVSA-N 1 0 405.539 3.652 50 0 HHAARO O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000096007052 568683116 /nfs/dbraw/zinc/68/31/16/568683116.db2.gz MMESWLLOFKUMNC-GOSISDBHSA-N 1 0 423.340 3.645 50 0 HHAARO O=C(COc1cc(Cl)ccc1Cl)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000096007053 568683138 /nfs/dbraw/zinc/68/31/38/568683138.db2.gz MMESWLLOFKUMNC-SFHVURJKSA-N 1 0 423.340 3.645 50 0 HHAARO Cc1cc(OC(F)F)c(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000096007067 568683258 /nfs/dbraw/zinc/68/32/58/568683258.db2.gz YCNPXCWMMGCTHT-INIZCTEOSA-N 1 0 410.486 3.545 50 0 HHAARO Cc1ccc2c(c1)c(N1CCCC1=O)c(C(=O)NCCC[N@H+](C)C1CCCCC1)n2C ZINC000021529973 568710322 /nfs/dbraw/zinc/71/03/22/568710322.db2.gz NHLVRYKTNYGNQQ-UHFFFAOYSA-N 1 0 424.589 3.998 50 0 HHAARO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000014075135 568719478 /nfs/dbraw/zinc/71/94/78/568719478.db2.gz ZZADYVRKUFQJNG-XLIONFOSSA-N 1 0 405.420 3.839 50 0 HHAARO COc1ccc(C2(CNC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CCOCC2)cc1 ZINC000239359538 568729023 /nfs/dbraw/zinc/72/90/23/568729023.db2.gz AEPYNSXQVWGSTG-JOCHJYFZSA-N 1 0 400.563 3.657 50 0 HHAARO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH2+]CCCCc2cccc(C(F)(F)F)c2)C1 ZINC000239359521 568729028 /nfs/dbraw/zinc/72/90/28/568729028.db2.gz AEKXSPKYFKQMGD-FUHWJXTLSA-N 1 0 416.484 3.846 50 0 HHAARO O=C(CSCc1nc2cccnc2n1C1CCCCC1)NCCC[NH+]1CCCC1 ZINC000021651018 568729081 /nfs/dbraw/zinc/72/90/81/568729081.db2.gz LIBAUEWNIIZZLI-UHFFFAOYSA-N 1 0 415.607 3.772 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)NCc3ccccc3Cl)c(C)c2)CC1 ZINC000056170311 568790642 /nfs/dbraw/zinc/79/06/42/568790642.db2.gz YZIHIBRWGAWBPE-GOSISDBHSA-N 1 0 414.981 3.907 50 0 HHAARO O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1F ZINC000056896253 568820924 /nfs/dbraw/zinc/82/09/24/568820924.db2.gz QEEIWCLZBWGTBI-QHCPKHFHSA-N 1 0 422.479 3.653 50 0 HHAARO C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000230154818 568853051 /nfs/dbraw/zinc/85/30/51/568853051.db2.gz VZUKITQPOHGDGQ-CCKFTAQKSA-N 1 0 407.297 3.909 50 0 HHAARO O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299763267 568873634 /nfs/dbraw/zinc/87/36/34/568873634.db2.gz ZJEDNFSPIKAWDC-VXNXHJTFSA-N 1 0 400.526 3.773 50 0 HHAARO CC(C)Cn1cnc2sc3c(c2c1=O)CC[C@H](N1CC[NH+](C2CCCC2)CC1)C3 ZINC000299765803 568873789 /nfs/dbraw/zinc/87/37/89/568873789.db2.gz BNHHESRVPQEFHM-SFHVURJKSA-N 1 0 414.619 3.532 50 0 HHAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1ccc(F)cc1 ZINC000299773979 568874582 /nfs/dbraw/zinc/87/45/82/568874582.db2.gz HCHXKLXRIKABNK-QGZVFWFLSA-N 1 0 404.869 3.879 50 0 HHAARO COc1ccc(OC)c2nc(N3CCCC3)c(C[NH2+]Cc3ccc4c(c3)OCO4)cc12 ZINC000299794559 568875998 /nfs/dbraw/zinc/87/59/98/568875998.db2.gz KMILGNYUNILVLW-UHFFFAOYSA-N 1 0 421.497 3.871 50 0 HHAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCCC3)c(=O)cc21 ZINC000004026894 568878078 /nfs/dbraw/zinc/87/80/78/568878078.db2.gz LJRJEAQCPLIXPT-SFHVURJKSA-N 1 0 410.514 3.547 50 0 biogenic HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000263585443 568878522 /nfs/dbraw/zinc/87/85/22/568878522.db2.gz IQIXLLYUCWLZAW-PZJWPPBQSA-N 1 0 417.550 3.608 50 0 HHAARO COc1ccc2oc(=O)c(C(=O)N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)cc2c1 ZINC000004078613 568882744 /nfs/dbraw/zinc/88/27/44/568882744.db2.gz LUFHVMBVMNNMBW-UHFFFAOYSA-N 1 0 422.525 3.528 50 0 HHAARO COc1ccccc1-n1cc(CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000670460698 568950273 /nfs/dbraw/zinc/95/02/73/568950273.db2.gz TVHJZWRCOCQUOJ-HSZRJFAPSA-N 1 0 402.542 3.556 50 0 HHAARO Cc1cccc(C[NH+]2CCC(CNC(=O)Nc3cn(C)c(=O)c4ccccc34)CC2)c1 ZINC000015680505 568967431 /nfs/dbraw/zinc/96/74/31/568967431.db2.gz ZVHIHLBBAQNBHH-UHFFFAOYSA-N 1 0 418.541 3.881 50 0 HHAARO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008185775 568980346 /nfs/dbraw/zinc/98/03/46/568980346.db2.gz VMSDJIMEUYVKAN-HOTGVXAUSA-N 1 0 421.588 3.601 50 0 HHAARO CCCNC(=O)[C@@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1OC ZINC000008345232 568994493 /nfs/dbraw/zinc/99/44/93/568994493.db2.gz CBRFLRIXUHMFMN-GOSISDBHSA-N 1 0 406.530 3.611 50 0 HHAARO Cc1cc(CSc2ncccc2C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000008367122 568995470 /nfs/dbraw/zinc/99/54/70/568995470.db2.gz IKYQKYHUOIBJGQ-SFHVURJKSA-N 1 0 408.527 3.675 50 0 HHAARO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Br ZINC000008430644 569002934 /nfs/dbraw/zinc/00/29/34/569002934.db2.gz FXFLEVXSZMAJFT-UHFFFAOYSA-N 1 0 403.320 3.984 50 0 HHAARO COc1ccc(-c2nc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cs2)cc1OC ZINC000012824704 569007840 /nfs/dbraw/zinc/00/78/40/569007840.db2.gz NDJCJBYDOBDXPV-SFHVURJKSA-N 1 0 423.538 3.832 50 0 HHAARO Cc1ccc(CN2CC[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2CCO)o1 ZINC000104638448 569008011 /nfs/dbraw/zinc/00/80/11/569008011.db2.gz NEFRKAQYPPHMLQ-RUZDIDTESA-N 1 0 423.601 3.614 50 0 HHAARO CC(C)OC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104982653 569009859 /nfs/dbraw/zinc/00/98/59/569009859.db2.gz KWSJNFCNEDZEJS-WOJBJXKFSA-N 1 0 400.494 3.607 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000012909312 569021732 /nfs/dbraw/zinc/02/17/32/569021732.db2.gz DLLVEQIGWMAEJW-JOCHJYFZSA-N 1 0 418.541 3.871 50 0 HHAARO Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)NCC[NH+]3CCC(C)CC3)c2)on1 ZINC000015942719 569024247 /nfs/dbraw/zinc/02/42/47/569024247.db2.gz OBWGHKSNDBPETJ-UHFFFAOYSA-N 1 0 405.564 3.784 50 0 HHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1)C(c1ccc(F)cc1)=N2 ZINC000035372478 569033853 /nfs/dbraw/zinc/03/38/53/569033853.db2.gz BONHIBFAIUJTMA-UHFFFAOYSA-N 1 0 410.518 3.821 50 0 HHAARO Cc1ccc(-c2nccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)n2)cc1 ZINC000035422810 569036312 /nfs/dbraw/zinc/03/63/12/569036312.db2.gz ORFGPKSGWRTRPK-QFIPXVFZSA-N 1 0 421.589 3.661 50 0 HHAARO O=C(Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1)c1ccc(F)c(F)c1 ZINC000035598029 569045795 /nfs/dbraw/zinc/04/57/95/569045795.db2.gz OEAJXWRXOFCQLU-UHFFFAOYSA-N 1 0 408.452 3.934 50 0 HHAARO Cc1ccc(NC(=O)C[N@@H+](CC(C)C)C2CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000012997319 569048380 /nfs/dbraw/zinc/04/83/80/569048380.db2.gz VZGWRRKHCVNTSO-UHFFFAOYSA-N 1 0 421.607 3.619 50 0 HHAARO CC[C@@H]1C[N@H+](CCC(=O)N2CCC[C@H]2c2nccs2)Cc2cc(OC)ccc2O1 ZINC000244691799 569055139 /nfs/dbraw/zinc/05/51/39/569055139.db2.gz JJNMIPRSAJXCLP-MJGOQNOKSA-N 1 0 415.559 3.879 50 0 HHAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 ZINC000001926044 569059710 /nfs/dbraw/zinc/05/97/10/569059710.db2.gz NZFJJSOGELYCMB-UHFFFAOYSA-N 1 0 408.454 3.544 50 0 HHAARO Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCC[NH+](C)C)c(=O)oc12)CCCC3 ZINC000006623856 569075300 /nfs/dbraw/zinc/07/53/00/569075300.db2.gz FHAYAUZPTHJOIP-UHFFFAOYSA-N 1 0 410.514 3.645 50 0 biogenic HHAARO Cc1cc(O[C@@H](C)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c2c(C)cc(=O)oc2c1 ZINC000006658678 569083498 /nfs/dbraw/zinc/08/34/98/569083498.db2.gz ACKDWBVCSKCWSD-HNNXBMFYSA-N 1 0 400.519 3.603 50 0 HHAARO COc1cccc([C@@H](CNC(=O)Cc2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000036074970 569086961 /nfs/dbraw/zinc/08/69/61/569086961.db2.gz WPJYLWNEIXSDIT-HXUWFJFHSA-N 1 0 417.347 3.954 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000006751928 569110625 /nfs/dbraw/zinc/11/06/25/569110625.db2.gz OSJADQUVHOOIRF-LJQANCHMSA-N 1 0 410.562 3.507 50 0 HHAARO C[C@H]1CCC[C@H](C)[NH+]1CCCNC(=O)c1ccc2nc(N3CCOCC3)sc2c1 ZINC000006806355 569130981 /nfs/dbraw/zinc/13/09/81/569130981.db2.gz QQYAPAGVUIPKKM-IRXDYDNUSA-N 1 0 416.591 3.516 50 0 HHAARO CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[NH+]2CCCC2)cc1 ZINC000036344022 569142540 /nfs/dbraw/zinc/14/25/40/569142540.db2.gz CNGKKYQIACHCLB-QHCPKHFHSA-N 1 0 407.514 3.867 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)c(C)c3)C[C@H]2c2ccccc2C)CC1 ZINC000036344875 569142794 /nfs/dbraw/zinc/14/27/94/569142794.db2.gz HDHAEEHHVDLKSO-VWLOTQADSA-N 1 0 418.585 3.927 50 0 HHAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023679 569155001 /nfs/dbraw/zinc/15/50/01/569155001.db2.gz QJBTWHCCFZIHME-QFIPXVFZSA-N 1 0 423.605 3.988 50 0 HHAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 ZINC000006876473 569163415 /nfs/dbraw/zinc/16/34/15/569163415.db2.gz LSPVFHRKXFLWPZ-CALCHBBNSA-N 1 0 403.498 3.767 50 0 HHAARO COc1cc(NC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc(OC)c1OC ZINC000006877364 569164186 /nfs/dbraw/zinc/16/41/86/569164186.db2.gz SNOJNUJEJCUVFL-UHFFFAOYSA-N 1 0 405.539 3.832 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccnc(-c2cccs2)c1 ZINC000065063096 569166887 /nfs/dbraw/zinc/16/68/87/569166887.db2.gz LYLWRPKEHUMIDI-UHFFFAOYSA-N 1 0 424.545 3.891 50 0 HHAARO C[NH+]1CCN(Cc2ccc(NC(=O)c3cc(Br)ccc3F)cc2)CC1 ZINC000036398380 569171560 /nfs/dbraw/zinc/17/15/60/569171560.db2.gz PUXMOQQPOWALCG-UHFFFAOYSA-N 1 0 406.299 3.588 50 0 HHAARO Cc1c(C(=O)NCCC[NH+]2CCCCC2)oc2ccc3c(c12)[C@H](O)CC(C)(C)O3 ZINC000006940639 569185670 /nfs/dbraw/zinc/18/56/70/569185670.db2.gz XOUSTUQTQAPOCR-MRXNPFEDSA-N 1 0 400.519 3.942 50 0 HHAARO O=C(c1ccc(F)cc1F)N1CCN(c2nc(C[NH+]3CCCCCC3)cs2)CC1 ZINC000065200324 569193678 /nfs/dbraw/zinc/19/36/78/569193678.db2.gz PJGAIZHNJLOBFQ-UHFFFAOYSA-N 1 0 420.529 3.760 50 0 HHAARO CSc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)cc1 ZINC000065256035 569208294 /nfs/dbraw/zinc/20/82/94/569208294.db2.gz ARZSRPLGWXYXTH-JOCHJYFZSA-N 1 0 418.566 3.884 50 0 HHAARO CC[C@@H](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1Cc2ccccc2C1=O ZINC000524733995 569214060 /nfs/dbraw/zinc/21/40/60/569214060.db2.gz KZCPABYIXPBIRS-VGSWGCGISA-N 1 0 409.530 3.636 50 0 HHAARO Cc1ccc(-c2nccn3cc(C(=O)N4CC[NH+](C5CCCCC5)CC4)nc23)cc1 ZINC000065274560 569215187 /nfs/dbraw/zinc/21/51/87/569215187.db2.gz NYNWILJHVAXPHF-UHFFFAOYSA-N 1 0 403.530 3.795 50 0 HHAARO Cc1ccc(-c2nc3cnccn3c2Nc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000065322567 569224732 /nfs/dbraw/zinc/22/47/32/569224732.db2.gz UIQZWTSDGBCBBQ-UHFFFAOYSA-N 1 0 414.513 3.740 50 0 HHAARO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000170597464 569242106 /nfs/dbraw/zinc/24/21/06/569242106.db2.gz KIDNJHVEOHEFJF-OAQYLSRUSA-N 1 0 417.594 3.906 50 0 HHAARO COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(C[NH+]2CCC(C)CC2)cc1=O ZINC000017120719 569275102 /nfs/dbraw/zinc/27/51/02/569275102.db2.gz ONDOGEPMLUKLPH-UHFFFAOYSA-N 1 0 417.937 3.689 50 0 HHAARO O=C1N[C@@H](Cc2ccccc2)C(=O)N1CN1CCc2sccc2[C@H]1c1cccs1 ZINC000252444279 569285929 /nfs/dbraw/zinc/28/59/29/569285929.db2.gz NSCRMHWHGBMGRC-PXNSSMCTSA-N 1 0 423.563 3.878 50 0 HHAARO O=C(C[NH2+]C[C@@H](CO)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002187354 569293633 /nfs/dbraw/zinc/29/36/33/569293633.db2.gz QYNTUXMTCRQYTP-IBGZPJMESA-N 1 0 422.912 3.875 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000007696806 569301150 /nfs/dbraw/zinc/30/11/50/569301150.db2.gz OUUJROKPJWBLFR-UHFFFAOYSA-N 1 0 422.497 3.599 50 0 HHAARO CSc1ncc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)n1-c1ccccc1 ZINC000007738707 569305281 /nfs/dbraw/zinc/30/52/81/569305281.db2.gz GUAJHVOVHJHDGQ-UHFFFAOYSA-N 1 0 407.543 3.598 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002234548 569320632 /nfs/dbraw/zinc/32/06/32/569320632.db2.gz GXQMSWKNMKTJBC-GJZGRUSLSA-N 1 0 401.507 3.660 50 0 HHAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007910358 569321560 /nfs/dbraw/zinc/32/15/60/569321560.db2.gz QJMAHCIVKIVZFD-FQEVSTJZSA-N 1 0 407.558 3.701 50 0 HHAARO Cc1cc(C)c(N2CC[C@H]([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C2=O)c(C)c1 ZINC000253429210 569368781 /nfs/dbraw/zinc/36/87/81/569368781.db2.gz MKESYZTUMLPMOO-AABGKKOBSA-N 1 0 415.578 3.952 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000002311104 569373774 /nfs/dbraw/zinc/37/37/74/569373774.db2.gz LWNXKHZOARTHFU-LBPRGKRZSA-N 1 0 422.323 3.776 50 0 HHAARO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cnn1-c1cc(F)ccc1Cl ZINC000225414266 569395084 /nfs/dbraw/zinc/39/50/84/569395084.db2.gz BSRKOWKXVWEBEG-DNVCBOLYSA-N 1 0 404.917 3.968 50 0 biogenic HHAARO CCC[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2CCCOC ZINC000014540536 569402921 /nfs/dbraw/zinc/40/29/21/569402921.db2.gz ZUSOVVROXPSDBC-UHFFFAOYSA-N 1 0 423.557 3.885 50 0 HHAARO O=C(Nc1cccc(C(=O)N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1)c1ccco1 ZINC000079049430 569425451 /nfs/dbraw/zinc/42/54/51/569425451.db2.gz ZIMKYJLPEDOPPU-NHCUHLMSSA-N 1 0 415.493 3.736 50 0 HHAARO c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]CCNc1ccc2ccccc2n1 ZINC000079061177 569426247 /nfs/dbraw/zinc/42/62/47/569426247.db2.gz SOWSRPSSDVALHK-UHFFFAOYSA-N 1 0 401.470 3.598 50 0 HHAARO CCOc1ccc(NC(=O)c2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc2)cc1 ZINC000039229425 571121925 /nfs/dbraw/zinc/12/19/25/571121925.db2.gz JQRAULGZQNYDBS-QFIPXVFZSA-N 1 0 402.498 3.884 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)c(C)c1 ZINC000008901642 571144927 /nfs/dbraw/zinc/14/49/27/571144927.db2.gz SSAKUQJGLGRXDU-LJQANCHMSA-N 1 0 408.589 3.961 50 0 HHAARO COC(=O)c1cccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@@H+](C)CC3)c1 ZINC000008912270 571148357 /nfs/dbraw/zinc/14/83/57/571148357.db2.gz JTPWKXNRCOADNT-UHFFFAOYSA-N 1 0 424.526 3.635 50 0 HHAARO Fc1ccc(OCc2noc(CN3CCC[N@H+](Cc4cccs4)CC3)n2)cc1 ZINC000040088712 571158956 /nfs/dbraw/zinc/15/89/56/571158956.db2.gz WWYZRBXWJCHLKL-UHFFFAOYSA-N 1 0 402.495 3.557 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)NCCSCc2cccs2)CC1 ZINC000040103962 571164753 /nfs/dbraw/zinc/16/47/53/571164753.db2.gz QAGJHCQAIDSTGE-UHFFFAOYSA-N 1 0 404.605 3.945 50 0 HHAARO COc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccc1OCc1ccccc1 ZINC000008985094 571205749 /nfs/dbraw/zinc/20/57/49/571205749.db2.gz NXUMKCJHZZUJDO-UHFFFAOYSA-N 1 0 403.482 3.632 50 0 HHAARO O=c1c2ccc(Cl)cc2nc(SCC[NH+]2CCCCC2)n1C[C@H]1CCCO1 ZINC000009112574 571223333 /nfs/dbraw/zinc/22/33/33/571223333.db2.gz FMVBPTWULSHUIC-MRXNPFEDSA-N 1 0 407.967 3.807 50 0 HHAARO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000069950780 571250948 /nfs/dbraw/zinc/25/09/48/571250948.db2.gz HXANYRXTMUBJMB-UHFFFAOYSA-N 1 0 419.504 3.509 50 0 HHAARO C[NH+](C)CCNC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000010312721 571300158 /nfs/dbraw/zinc/30/01/58/571300158.db2.gz SAKSBODNNJFFLX-UHFFFAOYSA-N 1 0 401.510 3.749 50 0 HHAARO COc1cccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc32)[NH+]2CCCC2)c1 ZINC000010334097 571300727 /nfs/dbraw/zinc/30/07/27/571300727.db2.gz ZTWZUOZSSNROPC-QHCPKHFHSA-N 1 0 417.509 3.740 50 0 HHAARO COc1ccc(C(=O)Nc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1OC ZINC000028305476 571308962 /nfs/dbraw/zinc/30/89/62/571308962.db2.gz ROVBIDMRFQTKST-UHFFFAOYSA-N 1 0 408.502 3.792 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccccc1OC)C(C)=O ZINC000034740614 571316571 /nfs/dbraw/zinc/31/65/71/571316571.db2.gz ZZIPQWFPWLQCEV-TZIWHRDSSA-N 1 0 416.587 3.776 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1 ZINC000011782500 962188608 /nfs/dbraw/zinc/18/86/08/962188608.db2.gz MHRNBTIABQHAHA-CQSZACIVSA-N 1 0 407.436 3.698 50 0 HHAARO Cc1c(C[NH+]2CCC3(C[C@@H]3C(=O)NCc3ccccc3C(F)(F)F)CC2)cnn1C ZINC000011782745 962188854 /nfs/dbraw/zinc/18/88/54/962188854.db2.gz WCPDWJYMPRBBQM-LJQANCHMSA-N 1 0 420.479 3.666 50 0 HHAARO Cc1ccc2[nH]c(C(=O)NC[C@@H]3CCC4(CC[NH+](Cc5ccncc5)CC4)O3)cc2c1 ZINC000011783004 962189065 /nfs/dbraw/zinc/18/90/65/962189065.db2.gz UONHVQOMXXTMQT-NRFANRHFSA-N 1 0 418.541 3.815 50 0 HHAARO O=C(NCc1ncc[nH]1)c1cc(Cl)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011932934 962209831 /nfs/dbraw/zinc/20/98/31/962209831.db2.gz COKITFHOTNQEBH-UHFFFAOYSA-N 1 0 402.926 3.779 50 0 HHAARO CC(=O)c1ccc(-c2ccc3c4c(ccc3c2)O[C@H](CNC(=O)C[NH+](C)C)C4)s1 ZINC000011963916 962215504 /nfs/dbraw/zinc/21/55/04/962215504.db2.gz WKSGMSTYHXWBLH-KRWDZBQOSA-N 1 0 408.523 3.752 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNc1ncnc2sc(C(=O)NC3CCCCC3)c(C)c21 ZINC000012135688 962244917 /nfs/dbraw/zinc/24/49/17/962244917.db2.gz FHUSVZJYRQFBRN-INIZCTEOSA-N 1 0 401.580 3.958 50 0 HHAARO CC(=O)Nc1ccc(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000012164943 962247911 /nfs/dbraw/zinc/24/79/11/962247911.db2.gz ZTVQGFGSABBCQB-UHFFFAOYSA-N 1 0 419.447 3.898 50 0 HHAARO CN(CC1CC[NH+](Cc2ccccc2)CC1)c1nncc(-c2ccc3c(c2)OCO3)n1 ZINC000012191933 962250647 /nfs/dbraw/zinc/25/06/47/962250647.db2.gz LJWGCLYOCNLGBH-UHFFFAOYSA-N 1 0 417.513 3.616 50 0 HHAARO CC(=O)c1ccc(N2CC[NH+]([C@H]3CCC(=O)N(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000012242858 962257956 /nfs/dbraw/zinc/25/79/56/962257956.db2.gz GMRFOSMGSFBLFH-DEOSSOPVSA-N 1 0 423.532 3.732 50 0 HHAARO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)[nH]n1 ZINC000012301437 962266504 /nfs/dbraw/zinc/26/65/04/962266504.db2.gz VNAZKOHMCWKZRU-DEOSSOPVSA-N 1 0 408.546 3.864 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCC[C@H](CO)C1 ZINC000012452946 962282789 /nfs/dbraw/zinc/28/27/89/962282789.db2.gz YPIQCIRBRWDETE-QFIPXVFZSA-N 1 0 422.569 3.617 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000012577896 962296584 /nfs/dbraw/zinc/29/65/84/962296584.db2.gz YMYFCRZLUJSJGX-HXUWFJFHSA-N 1 0 405.970 3.573 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4[nH]c(C)cc4C)C3)C2)c1OC ZINC000012589663 962297895 /nfs/dbraw/zinc/29/78/95/962297895.db2.gz FIUMEAGAWGOHFK-XMMPIXPASA-N 1 0 411.546 3.777 50 0 HHAARO CCn1cc(C[NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)cn1 ZINC000012590862 962297928 /nfs/dbraw/zinc/29/79/28/962297928.db2.gz ZRAPEZSHOULXAN-UHFFFAOYSA-N 1 0 406.534 3.508 50 0 HHAARO FC(F)(F)c1cccc(Cc2noc(CN3CCC[C@@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000012709656 962316018 /nfs/dbraw/zinc/31/60/18/962316018.db2.gz AZIIXWNJMHAATO-KRWDZBQOSA-N 1 0 408.468 3.987 50 0 HHAARO CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@H+](C)Cc1ccsc1)C2 ZINC000014747000 962568048 /nfs/dbraw/zinc/56/80/48/962568048.db2.gz WULAIGRNLHBHJN-SFHVURJKSA-N 1 0 400.592 3.826 50 0 HHAARO C[N@H+](Cc1cccc(OCCNC(=O)[C@H]2CCCO2)c1)Cc1cccc2cccnc21 ZINC000014881800 962597530 /nfs/dbraw/zinc/59/75/30/962597530.db2.gz OZPUPBKGYLBNHY-HSZRJFAPSA-N 1 0 419.525 3.541 50 0 HHAARO CN(C)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)o1 ZINC000014956197 962613169 /nfs/dbraw/zinc/61/31/69/962613169.db2.gz AHAGAIAJXBNOIX-VWLOTQADSA-N 1 0 409.574 3.902 50 0 HHAARO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CC[NH+](C4CCCCC4)CC3)c2C1=O ZINC000015070779 962647531 /nfs/dbraw/zinc/64/75/31/962647531.db2.gz JVKCXUIIAWEQLB-MRXNPFEDSA-N 1 0 424.570 3.955 50 0 HHAARO c1ccc(COc2cccc(C[N@H+]3CCc4nnc([C@H]5CCCO5)n4CC3)c2)cc1 ZINC000019300358 963360856 /nfs/dbraw/zinc/36/08/56/963360856.db2.gz ZMZILQYCEWKNGE-JOCHJYFZSA-N 1 0 404.514 3.767 50 0 HHAARO COc1ccc(-c2noc(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)n2)c(OC)c1OC ZINC000020994951 963410788 /nfs/dbraw/zinc/41/07/88/963410788.db2.gz CBIPHGRENOYLIG-HNNXBMFYSA-N 1 0 413.449 3.891 50 0 HHAARO CCCn1ncc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1C ZINC000023339005 963800969 /nfs/dbraw/zinc/80/09/69/963800969.db2.gz KNEUWWJXHVRGKI-QFIPXVFZSA-N 1 0 424.633 3.929 50 0 HHAARO Cc1c(C[N@@H+]2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cnn1C ZINC000023366590 963808924 /nfs/dbraw/zinc/80/89/24/963808924.db2.gz WBKHUELPAQTKBF-OAQYLSRUSA-N 1 0 421.511 3.534 50 0 HHAARO CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000024190126 963955138 /nfs/dbraw/zinc/95/51/38/963955138.db2.gz PLTRVIVGXRUCBZ-FQEVSTJZSA-N 1 0 401.551 3.546 50 0 HHAARO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2cc(OC)ccc2F)CC1 ZINC000055060510 965748088 /nfs/dbraw/zinc/74/80/88/965748088.db2.gz CDFLIKVCMOXGAK-UHFFFAOYSA-N 1 0 401.526 3.590 50 0 HHAARO CCOCc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@H](CCO)C2)ccc1OC ZINC000039515802 966496275 /nfs/dbraw/zinc/49/62/75/966496275.db2.gz NZYMIKFQMFWQBR-XMMPIXPASA-N 1 0 412.574 3.609 50 0 HHAARO COc1ccc(CN2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000067692314 968784407 /nfs/dbraw/zinc/78/44/07/968784407.db2.gz RSBHPXHPAUZXDZ-RUZDIDTESA-N 1 0 416.569 3.963 50 0 HHAARO Cc1cc(C(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000076835790 968994405 /nfs/dbraw/zinc/99/44/05/968994405.db2.gz AYOILRGAYZFJKM-UHFFFAOYSA-N 1 0 400.954 3.774 50 0 HHAARO CS[C@@H]1CN(C(=O)/C=C/c2csc(Br)c2)C[C@H]1[NH+]1CCCC1 ZINC000095939722 969041176 /nfs/dbraw/zinc/04/11/76/969041176.db2.gz SIDZCRPAPUBGQE-KOABKASLSA-N 1 0 401.395 3.562 50 0 HHAARO CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cc[nH+]cc3)C2=O)cc1 ZINC000105321980 969230769 /nfs/dbraw/zinc/23/07/69/969230769.db2.gz VUJRNZDUBCKTEC-RCCKNPSSSA-N 1 0 413.433 3.898 50 0 HHAARO CS[C@@H]1CN(C(=O)/C=C\c2csc(Br)c2)C[C@@H]1[NH+]1CCCC1 ZINC000222302199 970102415 /nfs/dbraw/zinc/10/24/15/970102415.db2.gz SIDZCRPAPUBGQE-OQOSRZTISA-N 1 0 401.395 3.562 50 0 HHAARO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C\c2ccc(Br)s2)C[C@@H](C)O1 ZINC000229779548 970132452 /nfs/dbraw/zinc/13/24/52/970132452.db2.gz SYXJJCPLCGFMTF-UMYCQHFCSA-N 1 0 413.381 3.624 50 0 HHAARO Cc1ccsc1C[NH+]1CCC2(CC1)C[C@H](CC(=O)NCc1ccncc1)CCO2 ZINC000169774179 970478209 /nfs/dbraw/zinc/47/82/09/970478209.db2.gz DCTYGLFRUWFCFJ-FQEVSTJZSA-N 1 0 413.587 3.919 50 0 HHAARO CCOC(=O)CCNC(=O)N1CCC([N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000169791881 970483196 /nfs/dbraw/zinc/48/31/96/970483196.db2.gz GRIVABQZMFSAJP-JOCHJYFZSA-N 1 0 413.562 3.731 50 0 HHAARO Cc1nnc([C@H]2C[N@@H+](C)CC23CCN(C(=O)Nc2ccc(C)cc2Cl)CC3)o1 ZINC000257175025 970615818 /nfs/dbraw/zinc/61/58/18/970615818.db2.gz NBYMNOLZUFKDAB-OAHLLOKOSA-N 1 0 403.914 3.683 50 0 HHAARO Cc1nnc([C@@H]2CC3(CN2C(=O)c2ccccc2)CC[NH+](Cc2cccnc2)CC3)o1 ZINC000257184513 970621077 /nfs/dbraw/zinc/62/10/77/970621077.db2.gz IOXRDQXWVYRANZ-NRFANRHFSA-N 1 0 417.513 3.643 50 0 HHAARO COc1ccc(C(=O)N2CCC[C@H](Cc3ncc(C)n3Cc3ccc(F)cc3)C2)cn1 ZINC000257189026 970622041 /nfs/dbraw/zinc/62/20/41/970622041.db2.gz HEBBPJFFXAWVGR-LJQANCHMSA-N 1 0 422.504 3.877 50 0 HHAARO c1cnc2c(c1)nc([C@@H]1CCCO1)n2C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000299756857 970721249 /nfs/dbraw/zinc/72/12/49/970721249.db2.gz GNRJWCZRYKQIKF-NRFANRHFSA-N 1 0 420.513 3.891 50 0 HHAARO Cc1nn(C)c(C)c1CN(C(=O)CC[N@H+]1Cc2cc(C)ccc2O[C@H](C)C1)C(C)C ZINC000299773708 970721853 /nfs/dbraw/zinc/72/18/53/970721853.db2.gz DJUPVHHIECPROS-GOSISDBHSA-N 1 0 412.578 3.756 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC(c3noc(C4CC4)n3)CC2)CC1 ZINC000462271267 985261163 /nfs/dbraw/zinc/26/11/63/985261163.db2.gz NKZLYLYWFMCYLB-UHFFFAOYSA-N 1 0 424.549 3.500 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCCNC(=O)c2ccc(Cl)cc2)CC1 ZINC000004364519 132275782 /nfs/dbraw/zinc/27/57/82/132275782.db2.gz PZWHEQIOEMDZEH-UHFFFAOYSA-N 1 0 401.938 3.681 50 0 HHAARO CCCOc1ccc(C(=O)CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000007984732 132326549 /nfs/dbraw/zinc/32/65/49/132326549.db2.gz JBAZPEBBRBCJNW-UHFFFAOYSA-N 1 0 409.530 3.829 50 0 HHAARO O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697945 132349950 /nfs/dbraw/zinc/34/99/50/132349950.db2.gz UMQMYKFWORSVGS-UHFFFAOYSA-N 1 0 410.481 3.731 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)cc2)CC1 ZINC000012557710 132363831 /nfs/dbraw/zinc/36/38/31/132363831.db2.gz CVIHPOGIGGHCPE-XMMPIXPASA-N 1 0 418.541 3.731 50 0 HHAARO Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1N1CC[NH+](C)CC1 ZINC000012734802 132366269 /nfs/dbraw/zinc/36/62/69/132366269.db2.gz FFUWDWRKHNYPLW-UHFFFAOYSA-N 1 0 413.465 3.566 50 0 HHAARO CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1 ZINC000035398486 132801700 /nfs/dbraw/zinc/80/17/00/132801700.db2.gz OWNWKLVYEFYGSH-UHFFFAOYSA-N 1 0 409.578 3.517 50 0 HHAARO COc1cc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc(OC)c1 ZINC000020543190 522371486 /nfs/dbraw/zinc/37/14/86/522371486.db2.gz YEAZZPVEQHREAZ-JOCHJYFZSA-N 1 0 413.537 3.630 50 0 HHAARO COc1ccc(C(=O)N(C)C[C@H]2CCCCO2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000020601362 523602345 /nfs/dbraw/zinc/60/23/45/523602345.db2.gz FRQBEIIIKFSJOM-HXUWFJFHSA-N 1 0 404.551 3.588 50 0 HHAARO COc1ccc(CCNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+]2CCCC2)cc1OC ZINC000032754959 523964301 /nfs/dbraw/zinc/96/43/01/523964301.db2.gz NQASDOHJALQZOZ-WZONZLPQSA-N 1 0 411.546 3.771 50 0 HHAARO COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Oc3ccccc3Cl)CC2)cc1 ZINC000032795856 524026883 /nfs/dbraw/zinc/02/68/83/524026883.db2.gz DQCSEFVEFZEVLA-QGZVFWFLSA-N 1 0 402.922 3.850 50 0 HHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2)CN1Cc1cccc(Cl)c1 ZINC000032534830 524089639 /nfs/dbraw/zinc/08/96/39/524089639.db2.gz JXYQAFZWLFJJCG-GOTSBHOMSA-N 1 0 407.945 3.972 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2cccc(F)c2)n1 ZINC000040355170 524104256 /nfs/dbraw/zinc/10/42/56/524104256.db2.gz DPBWCJRDSRECMT-CQSZACIVSA-N 1 0 404.511 3.529 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000040355639 524104989 /nfs/dbraw/zinc/10/49/89/524104989.db2.gz MIYPSGTVRLEPST-CYBMUJFWSA-N 1 0 422.501 3.668 50 0 HHAARO Cc1cccc(C[N@H+]2CCc3nnc([C@H](CC(C)C)NC(=O)c4ccco4)n3CC2)c1 ZINC000020599110 524406300 /nfs/dbraw/zinc/40/63/00/524406300.db2.gz OFRZCWUFJFPXLL-FQEVSTJZSA-N 1 0 421.545 3.755 50 0 HHAARO Cc1cccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)c1 ZINC000020560415 524699380 /nfs/dbraw/zinc/69/93/80/524699380.db2.gz DXCDMKVDMNZFNQ-UHFFFAOYSA-N 1 0 413.529 3.738 50 0 HHAARO Cc1ccc(Nc2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2cnn3C)cc1 ZINC000020560419 525327431 /nfs/dbraw/zinc/32/74/31/525327431.db2.gz QPYPEPPNCMRCEK-UHFFFAOYSA-N 1 0 413.529 3.738 50 0 HHAARO COc1ccc([C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)N2CCCC2)cc1 ZINC000245228125 525361837 /nfs/dbraw/zinc/36/18/37/525361837.db2.gz FWCOYFNNVFSUMQ-HRNNMHKYSA-N 1 0 424.585 3.877 50 0 HHAARO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000053991270 525942814 /nfs/dbraw/zinc/94/28/14/525942814.db2.gz PLDCLOUWQDUWQB-CQSZACIVSA-N 1 0 408.329 3.937 50 0 HHAARO CC[NH+](CC)CCCN/C=C1\c2ccccc2C(=O)N(c2ccc(Cl)cn2)C1=O ZINC000003286876 535507787 /nfs/dbraw/zinc/50/77/87/535507787.db2.gz KYHZFXUHNQYPFX-XDJHFCHBSA-N 1 0 412.921 3.584 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000012646039 535754479 /nfs/dbraw/zinc/75/44/79/535754479.db2.gz ORFWWDLGMOBIFV-UHFFFAOYSA-N 1 0 404.514 3.973 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)cn2)CC1 ZINC000012613396 536422848 /nfs/dbraw/zinc/42/28/48/536422848.db2.gz IPUAPHAEEYGANB-UHFFFAOYSA-N 1 0 410.562 3.929 50 0 HHAARO COc1ccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c(OC)c1 ZINC000001179397 557229383 /nfs/dbraw/zinc/22/93/83/557229383.db2.gz RFMBZYJTWPYDRN-UHFFFAOYSA-N 1 0 402.922 3.886 50 0 HHAARO COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)c1 ZINC000002703961 557369014 /nfs/dbraw/zinc/36/90/14/557369014.db2.gz SHOZPGXGSUJDIG-JOCHJYFZSA-N 1 0 420.509 3.915 50 0 HHAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1ccccc1Cl ZINC000002845863 557402663 /nfs/dbraw/zinc/40/26/63/557402663.db2.gz WOGAHFLHAUYLEF-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO Cc1ccc(-c2cc(C(=O)NCC[NH+](C)C)c3cc(Br)ccc3n2)o1 ZINC000002867521 557412793 /nfs/dbraw/zinc/41/27/93/557412793.db2.gz BQEBHEOXUBHTAD-UHFFFAOYSA-N 1 0 402.292 3.857 50 0 HHAARO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261697 557532941 /nfs/dbraw/zinc/53/29/41/557532941.db2.gz VGLMEBSZWBJGQV-XMMPIXPASA-N 1 0 405.586 3.722 50 0 HHAARO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC[N@H+](CCc2ccccc2)CC1 ZINC000004324609 557541549 /nfs/dbraw/zinc/54/15/49/557541549.db2.gz YYOWZZIFKJXXPU-UHFFFAOYSA-N 1 0 412.477 3.645 50 0 HHAARO COc1ccc2c(c1)oc1c(c2=O)[C@@H](c2cccc(Cl)c2)N(CC[NH+](C)C)C1=O ZINC000006660975 557712765 /nfs/dbraw/zinc/71/27/65/557712765.db2.gz PBSKPFKKPIZKBS-LJQANCHMSA-N 1 0 412.873 3.562 50 0 HHAARO CCc1ccc([C@H](CNC(=O)CCc2nc(-c3ccc(C)cc3)no2)[NH+](C)C)cc1 ZINC000022684242 557766839 /nfs/dbraw/zinc/76/68/39/557766839.db2.gz FLEJKNYKLONWHG-NRFANRHFSA-N 1 0 406.530 3.959 50 0 HHAARO COc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000002974589 557776037 /nfs/dbraw/zinc/77/60/37/557776037.db2.gz PRPDFBZHRZIDAA-QFIPXVFZSA-N 1 0 403.449 3.947 50 0 HHAARO Cc1cc(O)c([C@H](c2ccncc2)[NH+]2CCC(C)CC2)c(=O)n1Cc1cccnc1 ZINC000022698123 557781868 /nfs/dbraw/zinc/78/18/68/557781868.db2.gz CBGYRBKDKKUAFX-QHCPKHFHSA-N 1 0 404.514 3.522 50 0 HHAARO CCC[NH+]1CCN(CCCNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)CC1 ZINC000022795531 557822788 /nfs/dbraw/zinc/82/27/88/557822788.db2.gz KBRLPHMGROAREH-UHFFFAOYSA-N 1 0 420.557 3.566 50 0 HHAARO O=C(COCc1cc(-c2ccc(F)cc2)on1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000009436262 557843245 /nfs/dbraw/zinc/84/32/45/557843245.db2.gz KDLGTDCXVBONCU-UHFFFAOYSA-N 1 0 423.488 3.778 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)CC1 ZINC000011662982 558266729 /nfs/dbraw/zinc/26/67/29/558266729.db2.gz IUUBWZAPFHIWSH-SFHVURJKSA-N 1 0 402.535 3.828 50 0 HHAARO CO[C@H]1[C@H](NC(=O)c2cccs2)c2ccccc2C12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000011784661 558275673 /nfs/dbraw/zinc/27/56/73/558275673.db2.gz LGUOOFZSTFYPAR-RTWAWAEBSA-N 1 0 422.554 3.505 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3ccc4cccnc4c3)CC2)O1)c1ccco1 ZINC000011785543 558275883 /nfs/dbraw/zinc/27/58/83/558275883.db2.gz FBJOABQZRNRNDE-FQEVSTJZSA-N 1 0 405.498 3.771 50 0 HHAARO O=C(C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCCCCC1 ZINC000011817768 558280977 /nfs/dbraw/zinc/28/09/77/558280977.db2.gz JKADMNDPJLKNDC-UHFFFAOYSA-N 1 0 410.562 3.911 50 0 HHAARO COc1ccc(CN2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)cc1C ZINC000019782094 558281411 /nfs/dbraw/zinc/28/14/11/558281411.db2.gz FTDSCZSTHXZZAY-VWLOTQADSA-N 1 0 423.601 3.541 50 0 HHAARO O=C(NCc1ccccn1)c1cccc(OC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000011820761 558283913 /nfs/dbraw/zinc/28/39/13/558283913.db2.gz WOTNXHNGIHFUOI-UHFFFAOYSA-N 1 0 411.571 3.750 50 0 HHAARO CSCC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1 ZINC000011821297 558284639 /nfs/dbraw/zinc/28/46/39/558284639.db2.gz ZOCGJJZRCJIQLZ-GOSISDBHSA-N 1 0 413.587 3.996 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011874581 558292265 /nfs/dbraw/zinc/29/22/65/558292265.db2.gz XJRHAHBVEHAJEV-HXUWFJFHSA-N 1 0 418.497 3.510 50 0 HHAARO COc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)ccc1F ZINC000019841068 558294073 /nfs/dbraw/zinc/29/40/73/558294073.db2.gz KFUBOLGRZBKLLL-OAQYLSRUSA-N 1 0 401.501 3.760 50 0 HHAARO Cc1ccc(CN2CC[N@@H+](C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@@H]2CCO)o1 ZINC000019852277 558295762 /nfs/dbraw/zinc/29/57/62/558295762.db2.gz NEFRKAQYPPHMLQ-VWLOTQADSA-N 1 0 423.601 3.614 50 0 HHAARO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(S(N)(=O)=O)cc3)o2)cc1Cl ZINC000019872508 558299836 /nfs/dbraw/zinc/29/98/36/558299836.db2.gz NNDFDKNKNIRXSR-UHFFFAOYSA-N 1 0 420.918 3.588 50 0 HHAARO CCOC(=O)N1CCC([N@H+](C)C[C@H]2CCCN(CCc3ccccc3OC)C2)CC1 ZINC000011955640 558303529 /nfs/dbraw/zinc/30/35/29/558303529.db2.gz HRPVYDCSOMIUOT-HXUWFJFHSA-N 1 0 417.594 3.502 50 0 HHAARO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CC[NH+](C)CC2)cc1 ZINC000019902212 558305357 /nfs/dbraw/zinc/30/53/57/558305357.db2.gz CGUBGAGWFOCETQ-QFIPXVFZSA-N 1 0 415.965 3.846 50 0 HHAARO C[NH+]1CCC(CN(CCc2ccccc2)C(=O)c2cc(=O)c3ccccc3o2)CC1 ZINC000012029756 558311035 /nfs/dbraw/zinc/31/10/35/558311035.db2.gz HLWZIVKOZWUCSC-UHFFFAOYSA-N 1 0 404.510 3.820 50 0 HHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)Cc1c(C)noc1C ZINC000012076039 558319830 /nfs/dbraw/zinc/31/98/30/558319830.db2.gz IXJIVEYAOTYGTM-NRFANRHFSA-N 1 0 413.562 3.646 50 0 HHAARO CCC[N@@H+](Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1)CC1CC1 ZINC000012157087 558340739 /nfs/dbraw/zinc/34/07/39/558340739.db2.gz RXAFPHVVDXMGFT-UHFFFAOYSA-N 1 0 421.463 3.946 50 0 HHAARO COCCN(Cc1ccc(COC)o1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000020204742 558346493 /nfs/dbraw/zinc/34/64/93/558346493.db2.gz CZTGEGCYMNDDNT-FQEVSTJZSA-N 1 0 412.574 3.754 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCC2CCOCC2)c1 ZINC000012200486 558351284 /nfs/dbraw/zinc/35/12/84/558351284.db2.gz AUFXZULHLAXNBD-UHFFFAOYSA-N 1 0 416.562 3.637 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CCC(=O)NCc3cccc(OC)c3)C2)cc1 ZINC000012297451 558367621 /nfs/dbraw/zinc/36/76/21/558367621.db2.gz UOIGHMYZAOUXQP-LJQANCHMSA-N 1 0 424.541 3.790 50 0 HHAARO Cn1cc(C[N@H+](C)Cc2cccc(-n3cccn3)c2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012300142 558370084 /nfs/dbraw/zinc/37/00/84/558370084.db2.gz RHPRYEHQKPBRFP-UHFFFAOYSA-N 1 0 415.497 3.676 50 0 HHAARO COCCN(Cc1cc(CC(C)C)n[nH]1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012302047 558371815 /nfs/dbraw/zinc/37/18/15/558371815.db2.gz BQUKZNYDUAGIJH-NRFANRHFSA-N 1 0 424.633 3.936 50 0 HHAARO O[C@H](COc1ccc(Cl)cc1CNCc1cccnc1)C[NH+]1CCCCCC1 ZINC000012306303 558375080 /nfs/dbraw/zinc/37/50/80/558375080.db2.gz PSUDLHHDWKEHFU-NRFANRHFSA-N 1 0 403.954 3.641 50 0 HHAARO Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)n(C)n1 ZINC000012315354 558378809 /nfs/dbraw/zinc/37/88/09/558378809.db2.gz PGUJTFXPDKANJZ-SFHVURJKSA-N 1 0 422.495 3.774 50 0 HHAARO CN(C)c1ccc(CCC(=O)N(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000012436159 558409106 /nfs/dbraw/zinc/40/91/06/558409106.db2.gz XWDAYJWUUIIOHO-XMMPIXPASA-N 1 0 405.586 3.775 50 0 HHAARO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C ZINC000012457469 558417831 /nfs/dbraw/zinc/41/78/31/558417831.db2.gz DHFDKUAEXIXZER-GOSISDBHSA-N 1 0 400.475 3.744 50 0 HHAARO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012458068 558417988 /nfs/dbraw/zinc/41/79/88/558417988.db2.gz AXYPDWMLKORYNS-QGZVFWFLSA-N 1 0 403.906 3.815 50 0 HHAARO CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)[C@H]2CCCCC[N@@H+]2C)CC1 ZINC000012458936 558418507 /nfs/dbraw/zinc/41/85/07/558418507.db2.gz UUHZMHSFRCELPX-HXUWFJFHSA-N 1 0 420.981 3.929 50 0 HHAARO COc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc2c1OCO2 ZINC000012464727 558420265 /nfs/dbraw/zinc/42/02/65/558420265.db2.gz OHZFOUOTKYWFIV-SFHVURJKSA-N 1 0 414.521 3.950 50 0 HHAARO CCc1ccc(C[N@H+]2CCc3nnc([C@@H](NC(=O)c4ccoc4)C(C)C)n3CC2)cc1 ZINC000020998000 558427557 /nfs/dbraw/zinc/42/75/57/558427557.db2.gz KHIDEZSFUASJQW-QFIPXVFZSA-N 1 0 421.545 3.619 50 0 HHAARO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](CNC(=O)c4cccnc4)C3)c2)n1 ZINC000012573395 558429970 /nfs/dbraw/zinc/42/99/70/558429970.db2.gz FXSJAHHAYWKJFM-NRFANRHFSA-N 1 0 403.530 3.526 50 0 HHAARO COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2ccnc(Cl)c2)CC1 ZINC000012585022 558433942 /nfs/dbraw/zinc/43/39/42/558433942.db2.gz UNKKMWRFDDGCAN-UHFFFAOYSA-N 1 0 401.938 3.770 50 0 HHAARO CC[C@H](COC)NC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012592139 558436082 /nfs/dbraw/zinc/43/60/82/558436082.db2.gz QRAKJXUPNTYMHY-QGZVFWFLSA-N 1 0 404.551 3.636 50 0 HHAARO Cc1cc(C(=O)N(C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3F)CC2)no1 ZINC000012702336 558448271 /nfs/dbraw/zinc/44/82/71/558448271.db2.gz RQHOMEPZCOTIAQ-HXUWFJFHSA-N 1 0 415.509 3.656 50 0 HHAARO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4cnc(N)nc4)C3)cc2)c1 ZINC000012703262 558448509 /nfs/dbraw/zinc/44/85/09/558448509.db2.gz CCHYSMBBVDACRD-HXUWFJFHSA-N 1 0 417.513 3.585 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021795196 558449261 /nfs/dbraw/zinc/44/92/61/558449261.db2.gz MVSYKVGHHLOOOC-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000012706877 558450329 /nfs/dbraw/zinc/45/03/29/558450329.db2.gz GLQKNOKMSUCPSS-QHCPKHFHSA-N 1 0 408.517 3.909 50 0 HHAARO Cc1ccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)nc2c1C ZINC000004359384 558451384 /nfs/dbraw/zinc/45/13/84/558451384.db2.gz HWNOWPPPDPNXKP-SFHVURJKSA-N 1 0 411.527 3.648 50 0 HHAARO C[NH+](C)CCN(C(=O)CCOc1ccccc1)c1nc2c(cc(F)cc2F)s1 ZINC000004359422 558451688 /nfs/dbraw/zinc/45/16/88/558451688.db2.gz JXTKKTCXYZHTFI-UHFFFAOYSA-N 1 0 405.470 3.938 50 0 HHAARO CC(=O)N1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)CC1 ZINC000012714074 558454184 /nfs/dbraw/zinc/45/41/84/558454184.db2.gz UJQCWYGHRSOCJR-XMMPIXPASA-N 1 0 403.611 3.530 50 0 HHAARO O=C1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CCN1 ZINC000012716703 558455417 /nfs/dbraw/zinc/45/54/17/558455417.db2.gz ANGFWFHWHAFYAU-UHFFFAOYSA-N 1 0 400.482 3.667 50 0 HHAARO COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1 ZINC000004359603 558456660 /nfs/dbraw/zinc/45/66/60/558456660.db2.gz BKUZCBVXFYVOAN-UHFFFAOYSA-N 1 0 415.490 3.821 50 0 HHAARO COCCN(Cc1ccc2nonc2c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012762735 558461300 /nfs/dbraw/zinc/46/13/00/558461300.db2.gz FSNYSBYOQHDANV-HXUWFJFHSA-N 1 0 420.557 3.551 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(COCC(F)(F)F)cc3)cc2)CC1 ZINC000022192727 558465907 /nfs/dbraw/zinc/46/59/07/558465907.db2.gz ZZSHJYFVUBYIQJ-UHFFFAOYSA-N 1 0 407.436 3.770 50 0 HHAARO O=C(CN[C@H](c1cccs1)c1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000012802750 558472296 /nfs/dbraw/zinc/47/22/96/558472296.db2.gz VRXMMHHXBXJTRR-URXFXBBRSA-N 1 0 423.557 3.957 50 0 HHAARO CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCCCC1)C(C)C ZINC000022277151 558475651 /nfs/dbraw/zinc/47/56/51/558475651.db2.gz VMNQZOKNQGOLEQ-QFIPXVFZSA-N 1 0 401.595 3.866 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012818020 558476064 /nfs/dbraw/zinc/47/60/64/558476064.db2.gz BJUVPTZYNUAMOV-FCHUYYIVSA-N 1 0 411.521 3.533 50 0 HHAARO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(I)cc1 ZINC000012983011 558494080 /nfs/dbraw/zinc/49/40/80/558494080.db2.gz PXDJEIYWSHDCGT-UHFFFAOYSA-N 1 0 420.294 3.817 50 0 HHAARO CC(C)[NH+](CCNC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)C(C)C ZINC000012992345 558496730 /nfs/dbraw/zinc/49/67/30/558496730.db2.gz CDHQPFLHTGYZDM-UHFFFAOYSA-N 1 0 405.546 3.842 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000022684588 558504413 /nfs/dbraw/zinc/50/44/13/558504413.db2.gz MUZLDWTVOFBNHH-LJQANCHMSA-N 1 0 402.922 3.635 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@H+](Cc2ccccc2)[C@@H](CCO)C1 ZINC000022913351 558520337 /nfs/dbraw/zinc/52/03/37/558520337.db2.gz XZVKUQKLYWSWFI-DEOSSOPVSA-N 1 0 422.548 3.697 50 0 HHAARO CC[NH+](CC)CCCn1c(S[C@@H](C)c2nc(C)no2)nc2ccccc2c1=O ZINC000022972382 558528445 /nfs/dbraw/zinc/52/84/45/558528445.db2.gz IJMFYFLIPOBTSQ-AWEZNQCLSA-N 1 0 401.536 3.673 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(C)c1C ZINC000023145674 558538352 /nfs/dbraw/zinc/53/83/52/558538352.db2.gz IAUOFQLPOPMPBS-FQEVSTJZSA-N 1 0 404.501 3.659 50 0 HHAARO O=C(NCc1ccccc1)c1cccc(OC2CC[NH+](CCCn3cccn3)CC2)c1 ZINC000023379880 558555198 /nfs/dbraw/zinc/55/51/98/558555198.db2.gz PSDSNMARMOLJOV-UHFFFAOYSA-N 1 0 418.541 3.747 50 0 HHAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1oc2ccc(Br)cc2c1C ZINC000013720985 558581906 /nfs/dbraw/zinc/58/19/06/558581906.db2.gz TZJIWGUPCGIGST-UHFFFAOYSA-N 1 0 407.308 3.788 50 0 HHAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000024363840 558596071 /nfs/dbraw/zinc/59/60/71/558596071.db2.gz NYVQBMUXPDLIFO-HSZRJFAPSA-N 1 0 418.537 3.681 50 0 HHAARO COc1ccc2c(CC(=O)NC[C@H](c3cccc(OC)c3)[NH+]3CCCC3)coc2c1 ZINC000013987763 558610774 /nfs/dbraw/zinc/61/07/74/558610774.db2.gz JVVXDKRAZISNGS-JOCHJYFZSA-N 1 0 408.498 3.946 50 0 HHAARO C[C@@H]1C[NH+](CCCNC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)C[C@@H](C)O1 ZINC000014187297 558631412 /nfs/dbraw/zinc/63/14/12/558631412.db2.gz UFVOYJCGNSYLHV-QZTJIDSGSA-N 1 0 424.570 3.830 50 0 HHAARO CC(C)C[N@@H+]1CCO[C@H](CSc2nc3ccccc3c(=O)n2C2CCCC2)C1 ZINC000025106168 558631811 /nfs/dbraw/zinc/63/18/11/558631811.db2.gz GPRKHNMBSFDHFO-SFHVURJKSA-N 1 0 401.576 3.961 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)Cc1ccccc1 ZINC000014196912 558633835 /nfs/dbraw/zinc/63/38/35/558633835.db2.gz XYDARHBNHXYYNL-FQEVSTJZSA-N 1 0 407.539 3.903 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419362 558640428 /nfs/dbraw/zinc/64/04/28/558640428.db2.gz CTEURORNABHDFN-DNQXCXABSA-N 1 0 415.537 3.967 50 0 HHAARO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238438 558642679 /nfs/dbraw/zinc/64/26/79/558642679.db2.gz OALJIVLWVZBTOD-RBBKRZOGSA-N 1 0 413.514 3.571 50 0 HHAARO Cc1ccccc1C[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014536100 558658198 /nfs/dbraw/zinc/65/81/98/558658198.db2.gz TWEYDJYGQYDTOQ-OAQYLSRUSA-N 1 0 402.542 3.589 50 0 HHAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000014539676 558659475 /nfs/dbraw/zinc/65/94/75/558659475.db2.gz CPUAHXSXKHOEHF-UHFFFAOYSA-N 1 0 418.497 3.647 50 0 HHAARO CC(C)CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccccc2)C1 ZINC000014745693 558668950 /nfs/dbraw/zinc/66/89/50/558668950.db2.gz VUJVSPGGZFXPPI-VQTJNVASSA-N 1 0 411.521 3.675 50 0 HHAARO COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000027664541 558679623 /nfs/dbraw/zinc/67/96/23/558679623.db2.gz QATKODMGOIIRMB-FQEVSTJZSA-N 1 0 412.530 3.978 50 0 HHAARO COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027667518 558679791 /nfs/dbraw/zinc/67/97/91/558679791.db2.gz ANKLGLQNOJMSSY-VGOFRKELSA-N 1 0 400.494 3.945 50 0 HHAARO COc1cccc(CC(=O)N(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000014948368 558680270 /nfs/dbraw/zinc/68/02/70/558680270.db2.gz QYFRNLZCTXPFRS-XMMPIXPASA-N 1 0 414.590 3.900 50 0 HHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 ZINC000014958074 558682837 /nfs/dbraw/zinc/68/28/37/558682837.db2.gz ZCSIBTOEAUYAHZ-GOSISDBHSA-N 1 0 423.586 3.516 50 0 HHAARO Cc1ccc(C[N@H+]2CCc3nnc([C@H](C)NC(=O)CCc4ccccc4)n3CC2)s1 ZINC000014958079 558682885 /nfs/dbraw/zinc/68/28/85/558682885.db2.gz ZCSIBTOEAUYAHZ-SFHVURJKSA-N 1 0 423.586 3.516 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCC(F)(F)F)C3)C2)c1OC ZINC000014980164 558690885 /nfs/dbraw/zinc/69/08/85/558690885.db2.gz FTUICHASAHRRDU-HXUWFJFHSA-N 1 0 414.468 3.861 50 0 HHAARO CC(C)=CCC[C@H](C)C[N@H+]1CCc2nnc(CNC(=O)c3cc(C)oc3C)n2CC1 ZINC000014980538 558691176 /nfs/dbraw/zinc/69/11/76/558691176.db2.gz AZWYUZJTAYIZQH-KRWDZBQOSA-N 1 0 413.566 3.659 50 0 HHAARO COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCCCC1)C3 ZINC000014988904 558693514 /nfs/dbraw/zinc/69/35/14/558693514.db2.gz YHLBYIIULYRIQW-KRWDZBQOSA-N 1 0 409.555 3.858 50 0 HHAARO COc1cc(CN2C(=O)CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]32)cc(OC)c1OC ZINC000014989610 558693846 /nfs/dbraw/zinc/69/38/46/558693846.db2.gz CZNQGAJYTJCEHA-RTWAWAEBSA-N 1 0 424.541 3.726 50 0 HHAARO O=c1c2c3c(sc2ncn1C1CCCC1)C[C@@H]([NH2+]CC1(O)CCCCC1)CC3 ZINC000014992360 558695087 /nfs/dbraw/zinc/69/50/87/558695087.db2.gz XCDOWSJGLAIBTB-HNNXBMFYSA-N 1 0 401.576 3.715 50 0 HHAARO Cc1ccccc1C[NH2+][C@H]1CCc2c(sc3ncn(Cc4ccccn4)c(=O)c32)C1 ZINC000014994707 558695847 /nfs/dbraw/zinc/69/58/47/558695847.db2.gz IIPLNAWXJUHLQL-SFHVURJKSA-N 1 0 416.550 3.857 50 0 HHAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@@H]([N@H+](C)CCc1ccccn1)C3 ZINC000015000027 558697262 /nfs/dbraw/zinc/69/72/62/558697262.db2.gz NGUIWJYNKDVZKR-GOSISDBHSA-N 1 0 410.587 3.931 50 0 HHAARO CC(C)CCn1cnc2sc3c(c2c1=O)CC[C@H]([N@H+](C)CCc1ccccn1)C3 ZINC000015000024 558697303 /nfs/dbraw/zinc/69/73/03/558697303.db2.gz NGUIWJYNKDVZKR-SFHVURJKSA-N 1 0 410.587 3.931 50 0 HHAARO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072277369 558703203 /nfs/dbraw/zinc/70/32/03/558703203.db2.gz LPDKOVIRMUYWOW-OFNKIYASSA-N 1 0 409.574 3.660 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2cnc(N(C)C)s2)C1 ZINC000015064199 558707082 /nfs/dbraw/zinc/70/70/82/558707082.db2.gz NXCVHWBPSMKKNU-SFHVURJKSA-N 1 0 402.608 3.604 50 0 HHAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cc1 ZINC000015070081 558712101 /nfs/dbraw/zinc/71/21/01/558712101.db2.gz XCCDXSTZBRJOOQ-SFHVURJKSA-N 1 0 412.505 3.921 50 0 HHAARO O=c1c2ccccc2c(-c2cccs2)nn1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000029498592 558715979 /nfs/dbraw/zinc/71/59/79/558715979.db2.gz IXPPKOSBRUTJIG-UHFFFAOYSA-N 1 0 416.550 3.900 50 0 HHAARO COc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000015079771 558718373 /nfs/dbraw/zinc/71/83/73/558718373.db2.gz JCMLENXIUNEDRW-OAQYLSRUSA-N 1 0 413.949 3.775 50 0 HHAARO CNC(=O)c1ccc(C[N@H+](C)C[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 ZINC000030533808 558731943 /nfs/dbraw/zinc/73/19/43/558731943.db2.gz RJOWXLVZXLTTLB-HXUWFJFHSA-N 1 0 401.510 3.647 50 0 HHAARO O=C(C1CCCC1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265663 558734318 /nfs/dbraw/zinc/73/43/18/558734318.db2.gz HDYJODGNVGAFOJ-UHFFFAOYSA-N 1 0 403.530 3.878 50 0 HHAARO O=C(c1ccc(SCC[NH+]2CCCCC2)nc1)N1CCN(Cc2ccccc2)CC1 ZINC000033115223 558761274 /nfs/dbraw/zinc/76/12/74/558761274.db2.gz VUSZYJYYZFVFQC-UHFFFAOYSA-N 1 0 424.614 3.618 50 0 HHAARO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072308341 558770209 /nfs/dbraw/zinc/77/02/09/558770209.db2.gz UHKWHLBHIMFQGW-WMZHIEFXSA-N 1 0 423.557 3.563 50 0 HHAARO COC(=O)[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)N1CCc2ccccc2C1 ZINC000035900513 558795791 /nfs/dbraw/zinc/79/57/91/558795791.db2.gz LHFPKCSLFHZBJD-GOSISDBHSA-N 1 0 407.297 3.922 50 0 HHAARO COc1cccc([C@@H](CNC(=O)c2ccc(NC(=O)C3CC3)cc2)[NH+]2CCCC2)c1 ZINC000032988482 558808265 /nfs/dbraw/zinc/80/82/65/558808265.db2.gz WNOSIYPDVROJQL-JOCHJYFZSA-N 1 0 407.514 3.611 50 0 HHAARO COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC(=O)N(c4cccc5ccccc54)C3=O)c2c1 ZINC000018088234 558830955 /nfs/dbraw/zinc/83/09/55/558830955.db2.gz KSAAKAHDLLHUOU-JOCHJYFZSA-N 1 0 413.477 3.794 50 0 HHAARO COc1ccc(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccn4)CC3)C2)c(OC)c1 ZINC000019112657 558841748 /nfs/dbraw/zinc/84/17/48/558841748.db2.gz FRYSEKCYGABFJU-IBGZPJMESA-N 1 0 423.557 3.658 50 0 HHAARO COCCN(C(=O)C1CC[NH+](C2CCN(Cc3ccccc3C)CC2)CC1)C(C)C ZINC000019218615 558851222 /nfs/dbraw/zinc/85/12/22/558851222.db2.gz ICYNQZHFYGXVJM-UHFFFAOYSA-N 1 0 415.622 3.555 50 0 HHAARO c1nn(-c2ccccn2)c2c1[C@H](NC1CC[NH+](CCc3ccccc3)CC1)CCC2 ZINC000019224768 558852653 /nfs/dbraw/zinc/85/26/53/558852653.db2.gz HHRMVQSDNGHAJF-HSZRJFAPSA-N 1 0 401.558 3.941 50 0 HHAARO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@H](C)Cc1cccnc1 ZINC000019228074 558853008 /nfs/dbraw/zinc/85/30/08/558853008.db2.gz VDPPSEUBFVOPON-LJQANCHMSA-N 1 0 405.546 3.775 50 0 HHAARO Cc1c(C(=O)NCC2CC[NH+](Cc3cc(C)ccc3C)CC2)sc2nc[nH]c(=O)c12 ZINC000033073404 558867393 /nfs/dbraw/zinc/86/73/93/558867393.db2.gz YTUUBUCEPVADJJ-UHFFFAOYSA-N 1 0 424.570 3.552 50 0 HHAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)COc4ccc(F)cc4)ccc3n2)CC1 ZINC000033084670 558869062 /nfs/dbraw/zinc/86/90/62/558869062.db2.gz HBCIIOJPMTUUNP-UHFFFAOYSA-N 1 0 422.504 3.842 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc4nonc43)CC2)cc1)N1CCCCC1 ZINC000055120330 558873269 /nfs/dbraw/zinc/87/32/69/558873269.db2.gz FMHZZRFMPUAPFJ-UHFFFAOYSA-N 1 0 420.513 3.892 50 0 HHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NCCC4=CCCCC4)c(C)c32)CC1 ZINC000033048325 558885354 /nfs/dbraw/zinc/88/53/54/558885354.db2.gz UAACMIRSSYJYOM-UHFFFAOYSA-N 1 0 413.591 3.762 50 0 HHAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000004699796 558907592 /nfs/dbraw/zinc/90/75/92/558907592.db2.gz VSFBZXVRRQHLEJ-UHFFFAOYSA-N 1 0 400.394 3.909 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000058183516 558910475 /nfs/dbraw/zinc/91/04/75/558910475.db2.gz BGOJPQNVEUMVGW-INIZCTEOSA-N 1 0 401.536 3.640 50 0 HHAARO C[C@@H]1CN(c2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2F)C[C@@H](C)O1 ZINC000058324411 558919592 /nfs/dbraw/zinc/91/95/92/558919592.db2.gz WQTKMQITCGZKGF-LMMKCTJWSA-N 1 0 404.530 3.531 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)NCCc2coc(-c3ccccc3)n2)CC1 ZINC000058331175 558920170 /nfs/dbraw/zinc/92/01/70/558920170.db2.gz SAQGAMKXIQPMDY-UHFFFAOYSA-N 1 0 419.529 3.848 50 0 HHAARO O=C(Cc1cc(Cl)c2c(c1)OCCO2)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000058392112 558923524 /nfs/dbraw/zinc/92/35/24/558923524.db2.gz RLWRTOHHHMLJKR-UHFFFAOYSA-N 1 0 418.896 3.574 50 0 HHAARO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](CCc4ccccn4)C3)CC2)c1 ZINC000072144483 558929488 /nfs/dbraw/zinc/92/94/88/558929488.db2.gz ZHEUDDWSXSRLRF-JOCHJYFZSA-N 1 0 418.507 3.930 50 0 HHAARO CNC(=O)c1ccc(/C=C/C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000036390865 558935048 /nfs/dbraw/zinc/93/50/48/558935048.db2.gz KDOQLXWKEQXRMJ-BGVYSJOJSA-N 1 0 411.933 3.666 50 0 HHAARO Cc1cc(N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000065363941 558974888 /nfs/dbraw/zinc/97/48/88/558974888.db2.gz ZLJHSGBWNVWZNJ-UHFFFAOYSA-N 1 0 414.941 3.783 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000067602127 558987786 /nfs/dbraw/zinc/98/77/86/558987786.db2.gz OKHFDIJNNCUWGY-UHFFFAOYSA-N 1 0 415.541 3.891 50 0 HHAARO O=C(CN1CC[NH+]([C@H]2CCCSC2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000097032805 558988282 /nfs/dbraw/zinc/98/82/82/558988282.db2.gz XJWJGYUCFMCKBW-AWEZNQCLSA-N 1 0 421.916 3.811 50 0 HHAARO Cc1ccnn1CCC(=O)N(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000077345050 559002024 /nfs/dbraw/zinc/00/20/24/559002024.db2.gz IWVRXLGWAGDTAJ-HXUWFJFHSA-N 1 0 402.970 3.648 50 0 HHAARO CS[C@@H](C)C(=O)Nc1nn(-c2cccc(F)c2)c2cccc(OCC[NH+](C)C)c12 ZINC000077488859 559007214 /nfs/dbraw/zinc/00/72/14/559007214.db2.gz JPHXFZPCQYATSV-AWEZNQCLSA-N 1 0 416.522 3.795 50 0 HHAARO Cc1cc(NC(=O)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000023127446 559015838 /nfs/dbraw/zinc/01/58/38/559015838.db2.gz DRNSWFJVQOBLCO-UHFFFAOYSA-N 1 0 416.525 3.510 50 0 HHAARO O=C([C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCCC1 ZINC000082127218 559039879 /nfs/dbraw/zinc/03/98/79/559039879.db2.gz PAVSQWRGQBNVCP-QHCPKHFHSA-N 1 0 412.622 3.941 50 0 HHAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)N1CCCCCCCC1 ZINC000082138568 559040619 /nfs/dbraw/zinc/04/06/19/559040619.db2.gz KZRXBMFCSZOXLL-HSZRJFAPSA-N 1 0 412.622 3.941 50 0 HHAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000072303669 559124277 /nfs/dbraw/zinc/12/42/77/559124277.db2.gz JWPAGRZVYIALCU-URXFXBBRSA-N 1 0 408.542 3.839 50 0 HHAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCc1nc(-c2ccccc2)no1 ZINC000072303667 559124286 /nfs/dbraw/zinc/12/42/86/559124286.db2.gz FABNVTJRHZMFQA-FQEVSTJZSA-N 1 0 404.514 3.650 50 0 HHAARO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000004928784 559208577 /nfs/dbraw/zinc/20/85/77/559208577.db2.gz ZENAWFLASUIGAP-HSZRJFAPSA-N 1 0 414.571 3.808 50 0 HHAARO COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CC[NH+](C)CC2)c(OC)c1 ZINC000005093821 559244382 /nfs/dbraw/zinc/24/43/82/559244382.db2.gz FZRKCEKKAABEDP-FQEVSTJZSA-N 1 0 423.513 3.678 50 0 HHAARO CC[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc4c(c3)OCO4)=NN12 ZINC000005093985 559244438 /nfs/dbraw/zinc/24/44/38/559244438.db2.gz YJWOUFKMTVTPQM-LJQANCHMSA-N 1 0 421.497 3.779 50 0 HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCc1ccc2c(c1)CCO2 ZINC000409415174 559251166 /nfs/dbraw/zinc/25/11/66/559251166.db2.gz WFVBMBLZTHGCIK-XZOQPEGZSA-N 1 0 414.590 3.684 50 0 HHAARO CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000005156501 559258981 /nfs/dbraw/zinc/25/89/81/559258981.db2.gz MXEWBDBYFYJRFK-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO CC1CC[NH+](CCc2nc3cc(NC(=O)COc4ccccc4)ccc3n2C)CC1 ZINC000005343577 560566276 /nfs/dbraw/zinc/56/62/76/560566276.db2.gz JQHNNOCPJMWBFU-UHFFFAOYSA-N 1 0 406.530 3.865 50 0 HHAARO c1ccc2c(c1)nc(-c1ccncc1)nc2N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000062580409 560631489 /nfs/dbraw/zinc/63/14/89/560631489.db2.gz IARLSEIPXGNSOR-UHFFFAOYSA-N 1 0 403.530 3.631 50 0 HHAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984303 560858967 /nfs/dbraw/zinc/85/89/67/560858967.db2.gz FIKUOGRGTTXSKB-FGZHOGPDSA-N 1 0 400.494 3.607 50 0 HHAARO COc1ccc2nc(N(CC[NH+](C)C)C(=O)c3cc4ccccc4oc3=O)sc2c1 ZINC000012140791 560890357 /nfs/dbraw/zinc/89/03/57/560890357.db2.gz ATWHAMOFVQZYSM-UHFFFAOYSA-N 1 0 423.494 3.620 50 0 HHAARO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000106920220 560894591 /nfs/dbraw/zinc/89/45/91/560894591.db2.gz JWPAGRZVYIALCU-XUZZJYLKSA-N 1 0 408.542 3.839 50 0 HHAARO CS[C@@H]1CN(c2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C[C@@H]1[NH+](C)C ZINC000107539578 560896601 /nfs/dbraw/zinc/89/66/01/560896601.db2.gz IKLPCNRHVPHPLB-DOTOQJQBSA-N 1 0 411.600 3.724 50 0 HHAARO CCC[N@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032300 568424632 /nfs/dbraw/zinc/42/46/32/568424632.db2.gz BFBVREOZWFUURF-UHFFFAOYSA-N 1 0 400.548 3.869 50 0 HHAARO COC(=O)c1cc(Cl)c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000048112763 568432086 /nfs/dbraw/zinc/43/20/86/568432086.db2.gz MRXLEXROINAXFS-CQSZACIVSA-N 1 0 411.911 3.621 50 0 HHAARO Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCC[N@@H+](C)CC2)nc1 ZINC000048287500 568434718 /nfs/dbraw/zinc/43/47/18/568434718.db2.gz SZGMTVUSYFGAPD-UHFFFAOYSA-N 1 0 423.948 3.664 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccsc1 ZINC000048311929 568437135 /nfs/dbraw/zinc/43/71/35/568437135.db2.gz KQWFCFCVAAEZMY-CXAGYDPISA-N 1 0 402.520 3.672 50 0 HHAARO C[C@H](CC[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cc(Cl)c(Cl)n1C ZINC000048355535 568441484 /nfs/dbraw/zinc/44/14/84/568441484.db2.gz UHUFKZMCWXQSPP-OAHLLOKOSA-N 1 0 409.361 3.663 50 0 HHAARO C[C@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049581018 568452815 /nfs/dbraw/zinc/45/28/15/568452815.db2.gz ROFHFLQINBZIGT-SFHVURJKSA-N 1 0 406.482 3.930 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)CCc1cc(OC)cc(OC)c1)c1cccc(OC)c1 ZINC000024836977 568470076 /nfs/dbraw/zinc/47/00/76/568470076.db2.gz TVOOGNIQTXJWQW-QHCPKHFHSA-N 1 0 414.546 3.844 50 0 HHAARO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326709 568471897 /nfs/dbraw/zinc/47/18/97/568471897.db2.gz BAMQVPYWMNHYKI-QVRRQISLSA-N 1 0 409.574 3.811 50 0 HHAARO COc1ccc(CCN(C)C(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000000778815 568473828 /nfs/dbraw/zinc/47/38/28/568473828.db2.gz YVIMTINVLFFETI-UHFFFAOYSA-N 1 0 410.558 3.925 50 0 HHAARO CCOC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@@H]1c1ccc(OC(C)C)cc1 ZINC000020214613 568594675 /nfs/dbraw/zinc/59/46/75/568594675.db2.gz CTEHOTDYYWVWMF-OAQYLSRUSA-N 1 0 415.534 3.521 50 0 HHAARO CNS(=O)(=O)c1ccccc1N1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000095348903 568600227 /nfs/dbraw/zinc/60/02/27/568600227.db2.gz OCRISXVSEOFVHR-SFHVURJKSA-N 1 0 409.555 3.631 50 0 HHAARO CNS(=O)(=O)c1ccccc1N1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000095348904 568600247 /nfs/dbraw/zinc/60/02/47/568600247.db2.gz OCRISXVSEOFVHR-GOSISDBHSA-N 1 0 409.555 3.631 50 0 HHAARO Cc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)cc1Cl ZINC000020467810 568610474 /nfs/dbraw/zinc/61/04/74/568610474.db2.gz YXWSSRJXJOAVMJ-UHFFFAOYSA-N 1 0 406.939 3.641 50 0 HHAARO CC[C@@H]([NH2+]Cc1ccc(OCC(F)(F)F)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000095462596 568621481 /nfs/dbraw/zinc/62/14/81/568621481.db2.gz NAFHCNHEFIZAMI-QGZVFWFLSA-N 1 0 402.438 3.516 50 0 HHAARO CC[NH+](CC)CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1c(C)noc1C ZINC000095944158 568663194 /nfs/dbraw/zinc/66/31/94/568663194.db2.gz WFBYTQXOVAVBDZ-UHFFFAOYSA-N 1 0 419.469 3.847 50 0 HHAARO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]CCNC(=O)c1ccccc1Cl ZINC000095945484 568663634 /nfs/dbraw/zinc/66/36/34/568663634.db2.gz LRLNJGQVVROVCN-HOTGVXAUSA-N 1 0 409.958 3.838 50 0 HHAARO C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000095961319 568670067 /nfs/dbraw/zinc/67/00/67/568670067.db2.gz VZUKITQPOHGDGQ-MDASCCDHSA-N 1 0 407.297 3.909 50 0 HHAARO COc1ccc(C(=O)Nc2cccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000096116511 568696035 /nfs/dbraw/zinc/69/60/35/568696035.db2.gz AEEUAMDQRIBWIJ-NZQKXSOJSA-N 1 0 421.541 3.942 50 0 biogenic HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000021413790 568701697 /nfs/dbraw/zinc/70/16/97/568701697.db2.gz PIBSWVHVOLGYER-UHFFFAOYSA-N 1 0 407.543 3.623 50 0 HHAARO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccnc1Oc1ccc(Br)cc1 ZINC000229605448 568714610 /nfs/dbraw/zinc/71/46/10/568714610.db2.gz BKRAGWZUQLQYSL-ROUUACIJSA-N 1 0 416.319 3.993 50 0 HHAARO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CCN(CC(F)(F)F)CC1 ZINC000239367339 568729238 /nfs/dbraw/zinc/72/92/38/568729238.db2.gz AIJFVHKPBNNODG-SJKOYZFVSA-N 1 0 421.866 3.837 50 0 HHAARO CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)n2)CC1 ZINC000021659464 568735222 /nfs/dbraw/zinc/73/52/22/568735222.db2.gz WRTKYPQKZXLOQV-UHFFFAOYSA-N 1 0 415.541 3.695 50 0 HHAARO CCOc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4sccc4C3)CC2)cc1C ZINC000225690125 568779130 /nfs/dbraw/zinc/77/91/30/568779130.db2.gz NDPVWGITZCODOD-UHFFFAOYSA-N 1 0 420.600 3.667 50 0 HHAARO COc1ccc([C@]2(O)C[N+](Cc3ccc(Br)cc3)=C3CCCCN32)cc1 ZINC000003165224 568858976 /nfs/dbraw/zinc/85/89/76/568858976.db2.gz OIXWWTMJKQHCAE-OAQYLSRUSA-N 1 0 416.339 3.714 50 0 HHAARO CCOc1ccc([N+]2=C3SCCCN3C[C@@]2(O)c2ccc(OC(F)F)cc2)cc1 ZINC000003239623 568865963 /nfs/dbraw/zinc/86/59/63/568865963.db2.gz WKAPRRNMBYFNFC-OAQYLSRUSA-N 1 0 421.489 3.857 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)[NH+]2CCCCC2)cc1 ZINC000030511808 568868239 /nfs/dbraw/zinc/86/82/39/568868239.db2.gz WJLACUOAAIEDDQ-QHCPKHFHSA-N 1 0 404.514 3.838 50 0 HHAARO COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000003261414 568869272 /nfs/dbraw/zinc/86/92/72/568869272.db2.gz VTHDVDAJZUUHBN-AUUYWEPGSA-N 1 0 404.532 3.729 50 0 HHAARO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299758570 568872986 /nfs/dbraw/zinc/87/29/86/568872986.db2.gz MVJKYXMPCLMUQN-BBWFWOEESA-N 1 0 404.436 3.646 50 0 HHAARO C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000299774291 568874610 /nfs/dbraw/zinc/87/46/10/568874610.db2.gz BOUJPUUIMYBWQU-QGZVFWFLSA-N 1 0 422.529 3.711 50 0 HHAARO O=C1CCCN1CCC[NH2+]Cc1cc2cc3c(cc2nc1-c1ccsc1)OCO3 ZINC000299783656 568875186 /nfs/dbraw/zinc/87/51/86/568875186.db2.gz XIJNYIUWSNXQSP-UHFFFAOYSA-N 1 0 409.511 3.794 50 0 HHAARO CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000058011055 568875937 /nfs/dbraw/zinc/87/59/37/568875937.db2.gz INENECQXBFFEDY-TZIWHRDSSA-N 1 0 413.587 3.673 50 0 HHAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299802636 568876764 /nfs/dbraw/zinc/87/67/64/568876764.db2.gz UKGNOQIYHQCACS-KSZLIROESA-N 1 0 418.463 3.688 50 0 HHAARO COc1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000003323922 568880990 /nfs/dbraw/zinc/88/09/90/568880990.db2.gz USUVCJLABUOKFJ-OAQYLSRUSA-N 1 0 423.513 3.912 50 0 HHAARO CC1CCC(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000052833862 568908842 /nfs/dbraw/zinc/90/88/42/568908842.db2.gz HWESFAVPUIMSGT-UHFFFAOYSA-N 1 0 409.368 3.739 50 0 HHAARO Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1C ZINC000012727298 568920990 /nfs/dbraw/zinc/92/09/90/568920990.db2.gz GXVWYDAALOMBEZ-SFHVURJKSA-N 1 0 409.530 3.537 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000058953711 568934604 /nfs/dbraw/zinc/93/46/04/568934604.db2.gz FHKNAPLOFUTHBM-NRFANRHFSA-N 1 0 402.922 3.681 50 0 HHAARO O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000012754164 568942129 /nfs/dbraw/zinc/94/21/29/568942129.db2.gz QGCXSCHVPHQSMN-UHFFFAOYSA-N 1 0 403.473 3.926 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2)CC1 ZINC000004123078 568945228 /nfs/dbraw/zinc/94/52/28/568945228.db2.gz VIRRUAAMWSEFSD-UHFFFAOYSA-N 1 0 402.951 3.609 50 0 HHAARO C[N@H+](CCCOC(=O)c1cnn(C(C)(C)C)c1)C1CCN(Cc2ccccc2)CC1 ZINC000084325821 568946187 /nfs/dbraw/zinc/94/61/87/568946187.db2.gz ZOCJSDJLABMBEU-UHFFFAOYSA-N 1 0 412.578 3.781 50 0 HHAARO CCOC(=O)c1c2c(sc1NC(=O)CCC[NH+]1CCCCC1)COC(C)(C)C2 ZINC000004155070 568947199 /nfs/dbraw/zinc/94/71/99/568947199.db2.gz OBHZBJSDQBCNCK-UHFFFAOYSA-N 1 0 408.564 3.981 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1N(C)C ZINC000004184755 568949860 /nfs/dbraw/zinc/94/98/60/568949860.db2.gz BMZLJIFMMFPVPR-LEWJYISDSA-N 1 0 422.573 3.566 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cncn2-c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000008012630 568968336 /nfs/dbraw/zinc/96/83/36/568968336.db2.gz LBZOPYGPXKTYRM-QFIPXVFZSA-N 1 0 404.514 3.838 50 0 HHAARO Cc1nn(-c2ccccc2)cc1-c1noc(C(=O)NCC[C@H](C)[NH+]2CCCCCC2)n1 ZINC000015729690 568980242 /nfs/dbraw/zinc/98/02/42/568980242.db2.gz FLQYNOQZPBJGPU-KRWDZBQOSA-N 1 0 422.533 3.615 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1 ZINC000015731287 568981891 /nfs/dbraw/zinc/98/18/91/568981891.db2.gz MVPZTKIJSFINEK-GOSISDBHSA-N 1 0 409.509 3.796 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2ccc(-n3nccc3C)cc2)[NH+]2CCCC2)cc1 ZINC000008264921 568985871 /nfs/dbraw/zinc/98/58/71/568985871.db2.gz VYZQEVDDHNRYCM-QHCPKHFHSA-N 1 0 404.514 3.756 50 0 HHAARO COc1ccc(C=C2C[N@H+](C)CC3C2=NC(=S)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000053213726 568992264 /nfs/dbraw/zinc/99/22/64/568992264.db2.gz SECUXGOCAXAHGI-GUOCTKQSSA-N 1 0 407.539 3.506 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000008345608 568994502 /nfs/dbraw/zinc/99/45/02/568994502.db2.gz LAQBRRWLGRRHLP-UHFFFAOYSA-N 1 0 423.532 3.590 50 0 HHAARO CCC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+](CC)CC ZINC000008346120 568994717 /nfs/dbraw/zinc/99/47/17/568994717.db2.gz ZMPGDLLGYVYCEG-QGZVFWFLSA-N 1 0 418.607 3.525 50 0 HHAARO C[NH+](C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(O)cc1 ZINC000008373796 568995783 /nfs/dbraw/zinc/99/57/83/568995783.db2.gz XQTCVMUAWZXZDJ-LJQANCHMSA-N 1 0 412.873 3.649 50 0 HHAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)N[C@@H]1COc2ccccc2C1 ZINC000015787270 569007720 /nfs/dbraw/zinc/00/77/20/569007720.db2.gz UONFCQIMRLZSDH-QHCPKHFHSA-N 1 0 407.558 3.634 50 0 HHAARO COc1ccc(C[N@H+]2CCN(Cc3ccc(F)c(OC)c3)C[C@H]2CCO)c(C)c1C ZINC000104349236 569008360 /nfs/dbraw/zinc/00/83/60/569008360.db2.gz RZSYFHNSQOFIGK-OAQYLSRUSA-N 1 0 416.537 3.529 50 0 HHAARO COc1ccc(CN2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@H]2CCO)cc1C ZINC000104456208 569008612 /nfs/dbraw/zinc/00/86/12/569008612.db2.gz FTDSCZSTHXZZAY-RUZDIDTESA-N 1 0 423.601 3.541 50 0 HHAARO Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)c12 ZINC000012882348 569018943 /nfs/dbraw/zinc/01/89/43/569018943.db2.gz WDQWKVSCQRGZRO-LJQANCHMSA-N 1 0 403.486 3.569 50 0 HHAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(Cn3cncn3)cc2)c2cccs2)CC1 ZINC000012904801 569021144 /nfs/dbraw/zinc/02/11/44/569021144.db2.gz WPXNSTUMOASGBQ-HXUWFJFHSA-N 1 0 409.559 3.591 50 0 HHAARO C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012909557 569021442 /nfs/dbraw/zinc/02/14/42/569021442.db2.gz XQQKWNODAONREE-AWEZNQCLSA-N 1 0 403.408 3.918 50 0 HHAARO COc1ccc(-n2nnnc2C2([NH2+]CCc3c[nH]c4ccccc34)CCCC2)cc1 ZINC000575443714 569028548 /nfs/dbraw/zinc/02/85/48/569028548.db2.gz JBWLNTQERPPKCO-UHFFFAOYSA-N 1 0 402.502 3.754 50 0 HHAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(F)c1)C(c1ccccc1)=N2 ZINC000035372751 569033714 /nfs/dbraw/zinc/03/37/14/569033714.db2.gz UVEISKZQTJIUCO-UHFFFAOYSA-N 1 0 410.518 3.821 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C(F)(F)F)c1cc2ccccc2o1 ZINC000575619997 569038769 /nfs/dbraw/zinc/03/87/69/569038769.db2.gz HIQANHVXSLEHRH-MRXNPFEDSA-N 1 0 419.403 3.809 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1nc(N2CCCCC2)ncc1Cl)c1ccc(Cl)cc1 ZINC000072309358 569048628 /nfs/dbraw/zinc/04/86/28/569048628.db2.gz ANGBDOWRRIVCJG-QGZVFWFLSA-N 1 0 422.360 3.806 50 0 HHAARO CC1(C)CN=C(N2CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)CC2)S1 ZINC000002027038 569066759 /nfs/dbraw/zinc/06/67/59/569066759.db2.gz KYYVTZWOPPHURW-SFHVURJKSA-N 1 0 422.598 3.654 50 0 HHAARO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](CCn4cc(Cl)cn4)C3)C2)c1 ZINC000426648176 569073693 /nfs/dbraw/zinc/07/36/93/569073693.db2.gz RPOGEBDWDQUXDG-OAQYLSRUSA-N 1 0 406.933 3.672 50 0 HHAARO CC(C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145900 569098367 /nfs/dbraw/zinc/09/83/67/569098367.db2.gz FIKUOGRGTTXSKB-YADHBBJMSA-N 1 0 400.494 3.607 50 0 HHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CC(c2ccccc2F)=NO1 ZINC000036146238 569098563 /nfs/dbraw/zinc/09/85/63/569098563.db2.gz RWTSNIIHWPDSRX-SFTDATJTSA-N 1 0 414.521 3.854 50 0 HHAARO O=C(C1=CC[N@H+](Cc2ccc(F)cc2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000064818052 569101174 /nfs/dbraw/zinc/10/11/74/569101174.db2.gz YLGUPRTWEINZEH-UHFFFAOYSA-N 1 0 413.924 3.960 50 0 HHAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3cccc(Br)c3)CC2)c1 ZINC000064818013 569101185 /nfs/dbraw/zinc/10/11/85/569101185.db2.gz YTQUUKKLRZJFSO-UHFFFAOYSA-N 1 0 415.331 3.906 50 0 HHAARO Cn1c2ccccc2c2sc(C(=O)NCC[N@H+](C)Cc3ccccc3)cc2c1=O ZINC000006771944 569117216 /nfs/dbraw/zinc/11/72/16/569117216.db2.gz RAMLYWYKRUGUTN-UHFFFAOYSA-N 1 0 405.523 3.615 50 0 HHAARO Cc1ccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000036309544 569131202 /nfs/dbraw/zinc/13/12/02/569131202.db2.gz WIRUARKGSPHMEU-NQIIRXRSSA-N 1 0 416.587 3.653 50 0 HHAARO COc1c(Br)cc(C[NH2+][C@@H](C)Cn2ccnc2)cc1Br ZINC000036325312 569137401 /nfs/dbraw/zinc/13/74/01/569137401.db2.gz MWPXPYHUGOWIAB-JTQLQIEISA-N 1 0 403.118 3.595 50 0 HHAARO Cc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](C)O)CC2)c1Cc1ccccc1F ZINC000036340397 569141652 /nfs/dbraw/zinc/14/16/52/569141652.db2.gz XNKYRGVFBSQGRC-SFHVURJKSA-N 1 0 420.532 3.685 50 0 HHAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1 ZINC000065023288 569154851 /nfs/dbraw/zinc/15/48/51/569154851.db2.gz VPJZEJKXIKBTFA-NRFANRHFSA-N 1 0 409.578 3.517 50 0 HHAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[NH+]4CCCCCC4)cc3)ccc21 ZINC000065026994 569155932 /nfs/dbraw/zinc/15/59/32/569155932.db2.gz GXINEZJQJDRLKJ-UHFFFAOYSA-N 1 0 405.542 3.868 50 0 HHAARO O=C(Cn1cccc1-c1nnc(-c2ccccc2)o1)N1CC[NH+](C2CCCCC2)CC1 ZINC000065035617 569158489 /nfs/dbraw/zinc/15/84/89/569158489.db2.gz APJRPIYAJRJBHM-UHFFFAOYSA-N 1 0 419.529 3.682 50 0 HHAARO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)cc1OCC ZINC000006891467 569174100 /nfs/dbraw/zinc/17/41/00/569174100.db2.gz AHPNCPDCFIKKOK-LJQANCHMSA-N 1 0 401.532 3.778 50 0 HHAARO CC[C@@H](C)[C@@H]1Nc2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2NC1=O ZINC000006919973 569181773 /nfs/dbraw/zinc/18/17/73/569181773.db2.gz BJAZSKMNNHULRK-IERDGZPVSA-N 1 0 400.567 3.850 50 0 HHAARO Cn1cc(CC[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c2cccnc21 ZINC000065164918 569189442 /nfs/dbraw/zinc/18/94/42/569189442.db2.gz IFKYVMXXXVZWTK-UHFFFAOYSA-N 1 0 410.949 3.798 50 0 HHAARO CCc1ccc(CNC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)cc1 ZINC000065256387 569208373 /nfs/dbraw/zinc/20/83/73/569208373.db2.gz BWMLITWOZYROBX-HSZRJFAPSA-N 1 0 400.526 3.725 50 0 HHAARO CCOC(=O)[C@H](C)Oc1c(Br)cc(C[NH2+]C2CCCC2)cc1OC ZINC000036611725 569208930 /nfs/dbraw/zinc/20/89/30/569208930.db2.gz YBGGCUAQHHEHEA-LBPRGKRZSA-N 1 0 400.313 3.820 50 0 HHAARO COc1ccc(OC)c2[nH]c(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)cc21 ZINC000524732311 569212624 /nfs/dbraw/zinc/21/26/24/569212624.db2.gz JXJZFJJOASNQTH-UHFFFAOYSA-N 1 0 409.486 3.912 50 0 HHAARO CCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000065322469 569224576 /nfs/dbraw/zinc/22/45/76/569224576.db2.gz MGDGPLPHNZLOTR-UHFFFAOYSA-N 1 0 408.502 3.678 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000065499287 569232560 /nfs/dbraw/zinc/23/25/60/569232560.db2.gz YPDUMDKWOJQOOD-UHFFFAOYSA-N 1 0 412.496 3.990 50 0 HHAARO O=S(=O)(NCC1CC[NH+](C2CCSCC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000252497566 569290857 /nfs/dbraw/zinc/29/08/57/569290857.db2.gz QKHAHAUCTSIQJF-UHFFFAOYSA-N 1 0 422.538 3.591 50 0 HHAARO COCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000037559640 569306865 /nfs/dbraw/zinc/30/68/65/569306865.db2.gz KCGUYHUEHGOBEK-UHFFFAOYSA-N 1 0 412.530 3.656 50 0 HHAARO CC(C)N1CC[NH+]([C@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819767 569320695 /nfs/dbraw/zinc/32/06/95/569320695.db2.gz JSTIRNGQEBXBOV-QFIPXVFZSA-N 1 0 405.627 3.523 50 0 HHAARO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000026771575 569357622 /nfs/dbraw/zinc/35/76/22/569357622.db2.gz IYKRYPCAWRTXRE-PZUNEJSGSA-N 1 0 408.542 3.680 50 0 biogenic HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OC)c1 ZINC000002421782 569398228 /nfs/dbraw/zinc/39/82/28/569398228.db2.gz KZBOAUAIAGOSIR-OAQYLSRUSA-N 1 0 406.482 3.689 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(CN2CCCC2=O)cc1 ZINC000007941335 569401881 /nfs/dbraw/zinc/40/18/81/569401881.db2.gz FWOFMQFJIKXYBG-UHFFFAOYSA-N 1 0 405.542 3.725 50 0 HHAARO CCc1[nH]c(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c(C)c1C(=O)OC ZINC000328591654 569415044 /nfs/dbraw/zinc/41/50/44/569415044.db2.gz GNOUXKGRBFBCQD-MRXNPFEDSA-N 1 0 417.575 3.636 50 0 HHAARO COc1cc(F)ccc1CN1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019300747 569415782 /nfs/dbraw/zinc/41/57/82/569415782.db2.gz MHFMUTGVUNGLFS-JOCHJYFZSA-N 1 0 401.501 3.760 50 0 HHAARO Cc1nc(-c2ccc(C)cc2C)sc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000078716637 569419854 /nfs/dbraw/zinc/41/98/54/569419854.db2.gz WCJZBILMZSBRCV-GOSISDBHSA-N 1 0 401.576 3.822 50 0 HHAARO C[C@H]1C[C@@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@@H+]1C ZINC000078870216 569421133 /nfs/dbraw/zinc/42/11/33/569421133.db2.gz OIOJDZZVRKWRCQ-KSSFIOAISA-N 1 0 405.336 3.922 50 0 HHAARO O=C(C1CC1)N1CCC[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000078879443 569421460 /nfs/dbraw/zinc/42/14/60/569421460.db2.gz AXJUCWBQEPAGOK-HSZRJFAPSA-N 1 0 423.601 3.682 50 0 HHAARO CC1(C)CCC[C@H]1[N@H+](CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000079022072 569424455 /nfs/dbraw/zinc/42/44/55/569424455.db2.gz FZTZZRQRGDKMDN-OAQYLSRUSA-N 1 0 400.563 3.869 50 0 HHAARO Cc1cc(C)nc(SCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)o2)n1 ZINC000079193988 569429403 /nfs/dbraw/zinc/42/94/03/569429403.db2.gz RWBUWSCVTDHDRL-PKOBYXMFSA-N 1 0 414.575 3.973 50 0 biogenic HHAARO c1cc(-c2nc3ccccc3c(NC[C@@H]([C@@H]3CCOC3)[NH+]3CCOCC3)n2)cs1 ZINC000040051251 571145103 /nfs/dbraw/zinc/14/51/03/571145103.db2.gz GGGAUBKPRTWGFG-UZLBHIALSA-N 1 0 410.543 3.508 50 0 HHAARO CC[NH+]1CCN(Cc2ccc(CNC(=O)CCc3nc4ccccc4s3)cc2)CC1 ZINC000040115268 571172987 /nfs/dbraw/zinc/17/29/87/571172987.db2.gz ZYTBTHPUUKMOQG-UHFFFAOYSA-N 1 0 422.598 3.683 50 0 HHAARO CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000040156445 571203537 /nfs/dbraw/zinc/20/35/37/571203537.db2.gz HARZTEAIRXPEDL-AUSIDOKSSA-N 1 0 409.574 3.988 50 0 HHAARO COc1cc2c(cc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)oc1ccccc12 ZINC000009183839 571234478 /nfs/dbraw/zinc/23/44/78/571234478.db2.gz FZQLBNKPCHZUNJ-UHFFFAOYSA-N 1 0 423.513 3.959 50 0 HHAARO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccc(F)cc2)C3)c1C ZINC000069656379 571237034 /nfs/dbraw/zinc/23/70/34/571237034.db2.gz DTZQIUSELYXLQF-MRXNPFEDSA-N 1 0 421.520 3.801 50 0 HHAARO Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069871358 571247385 /nfs/dbraw/zinc/24/73/85/571247385.db2.gz FLCGWZMYJGYAOE-UHFFFAOYSA-N 1 0 421.520 3.659 50 0 HHAARO Cc1c(C(=O)N2CCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000069873423 571247865 /nfs/dbraw/zinc/24/78/65/571247865.db2.gz RZYOGAXKSQIAAX-UHFFFAOYSA-N 1 0 419.504 3.509 50 0 HHAARO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000009446734 571259609 /nfs/dbraw/zinc/25/96/09/571259609.db2.gz YBMMTGPAAXNDSS-WBVHZDCISA-N 1 0 423.538 3.909 50 0 HHAARO O=C1c2cccn2CC[C@H]1[C@H](O)c1cc[n+](Cc2ccc(Br)cc2)cc1 ZINC000009498916 571263214 /nfs/dbraw/zinc/26/32/14/571263214.db2.gz XNYMQHDWHOGCCD-AZUAARDMSA-N 1 0 412.307 3.523 50 0 HHAARO COc1cc(OC)cc(C(=O)N(CC[NH+](C)C)c2nc3c(cc(F)cc3F)s2)c1 ZINC000010066336 571294701 /nfs/dbraw/zinc/29/47/01/571294701.db2.gz NOWQEVYEJJLWKG-UHFFFAOYSA-N 1 0 421.469 3.800 50 0 HHAARO Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccnc1)N(CCC[NH+](C)C)C3=O ZINC000010233077 571297489 /nfs/dbraw/zinc/29/74/89/571297489.db2.gz BWBSUCYELZQOJF-LJQANCHMSA-N 1 0 411.889 3.647 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@@H]1c1ccccc1 ZINC000010233195 571297624 /nfs/dbraw/zinc/29/76/24/571297624.db2.gz ARMRUHIOLSXDFV-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO COc1cc(C(=O)NC[C@@H](c2cccc3ccccc32)[NH+](C)C)cc(OC)c1OC ZINC000010330394 571300479 /nfs/dbraw/zinc/30/04/79/571300479.db2.gz XTZAHEAFCSJKAO-FQEVSTJZSA-N 1 0 408.498 3.898 50 0 HHAARO CCOC(=O)/C(C#N)=C/c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000002283390 960470615 /nfs/dbraw/zinc/47/06/15/960470615.db2.gz ZCWBEIJXBFYJQN-RCKJYZIUSA-N 1 0 401.510 3.992 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(Cl)cc2)CC1)C(=O)c1n[nH]c2c1CCC2 ZINC000011664868 962158292 /nfs/dbraw/zinc/15/82/92/962158292.db2.gz ALRHNEWFXDGHNG-UHFFFAOYSA-N 1 0 400.954 3.579 50 0 HHAARO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C3)s1 ZINC000011881521 962205939 /nfs/dbraw/zinc/20/59/39/962205939.db2.gz YDVFMXIQRPAVIG-WMZOPIPTSA-N 1 0 416.518 3.661 50 0 HHAARO CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C3)s1 ZINC000011881520 962206396 /nfs/dbraw/zinc/20/63/96/962206396.db2.gz YDVFMXIQRPAVIG-FUHWJXTLSA-N 1 0 416.518 3.661 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3cccc4ncccc34)CC2)O1)c1ccco1 ZINC000011912632 962207273 /nfs/dbraw/zinc/20/72/73/962207273.db2.gz QEPPGAFXEHJOCG-LJQANCHMSA-N 1 0 405.498 3.771 50 0 HHAARO CSc1ncc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011934585 962210779 /nfs/dbraw/zinc/21/07/79/962210779.db2.gz JGLIOQGDZYNWDO-NRFANRHFSA-N 1 0 404.530 3.965 50 0 HHAARO CN(C(=O)c1ccn(C)n1)[C@@H](Cc1ccccc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000011971777 962217843 /nfs/dbraw/zinc/21/78/43/962217843.db2.gz GLDIOTVSTBTAKC-QHCPKHFHSA-N 1 0 406.530 3.609 50 0 HHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCn1ccc(C)n1 ZINC000011997851 962221364 /nfs/dbraw/zinc/22/13/64/962221364.db2.gz ZFSORIYNMUYVHG-OAQYLSRUSA-N 1 0 400.542 3.524 50 0 HHAARO COc1ccccc1CCC(=O)Nc1ccc2c(c1)C[N@@H+](CCCn1cccn1)CC2 ZINC000011998592 962221923 /nfs/dbraw/zinc/22/19/23/962221923.db2.gz GZOVJLNGGGJKPT-UHFFFAOYSA-N 1 0 418.541 3.911 50 0 HHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012029019 962224674 /nfs/dbraw/zinc/22/46/74/962224674.db2.gz VUJMDMBPORWEKL-FQEVSTJZSA-N 1 0 402.498 3.658 50 0 HHAARO C[C@H](c1ccon1)[N@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012041235 962226566 /nfs/dbraw/zinc/22/65/66/962226566.db2.gz YOHOSSXKWIEJSP-HIFRSBDPSA-N 1 0 405.882 3.631 50 0 HHAARO Cc1nc(CNCc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)cs1 ZINC000012076819 962234836 /nfs/dbraw/zinc/23/48/36/962234836.db2.gz XVCSOKPXMHVAGP-NRFANRHFSA-N 1 0 403.592 3.746 50 0 HHAARO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)sc2ncnc(NCc3ccco3)c12 ZINC000012097216 962238157 /nfs/dbraw/zinc/23/81/57/962238157.db2.gz AUDCXPPTAAWESO-OAHLLOKOSA-N 1 0 413.547 3.619 50 0 HHAARO CC(=O)N1CCC([N@@H+]2CC[C@@H](C3CCN(Cc4cccc(F)c4F)CC3)C2)CC1 ZINC000012111730 962242485 /nfs/dbraw/zinc/24/24/85/962242485.db2.gz LURXWXFOZBZPBZ-LJQANCHMSA-N 1 0 405.533 3.510 50 0 HHAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCC([C@@]3(CCc4ccccc4)NC(=O)NC3=O)CC1)=CC2 ZINC000012134269 962245081 /nfs/dbraw/zinc/24/50/81/962245081.db2.gz VAALVFIVNDOGBE-AOJNWGRGSA-N 1 0 421.585 3.902 50 0 HHAARO Cc1cc(CN(C)C(=O)c2ccccc2OC2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000012192361 962250885 /nfs/dbraw/zinc/25/08/85/962250885.db2.gz IYAXODDYYBYSID-UHFFFAOYSA-N 1 0 420.513 3.694 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1cc(C)nn1C)c1nc2c(cc(F)cc2F)s1 ZINC000012229398 962255926 /nfs/dbraw/zinc/25/59/26/962255926.db2.gz BOQFRRQDEGNRIR-UHFFFAOYSA-N 1 0 407.490 3.605 50 0 HHAARO CC(=O)c1ccc(N2CC[NH+]([C@@H]3CCC(=O)N(Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000012242859 962257303 /nfs/dbraw/zinc/25/73/03/962257303.db2.gz GMRFOSMGSFBLFH-XMMPIXPASA-N 1 0 423.532 3.732 50 0 HHAARO CCC(=O)N[C@H](c1nnc2n1CC[N@@H+](Cc1ccc(CC(C)C)cc1)CC2)C(C)C ZINC000012244612 962257722 /nfs/dbraw/zinc/25/77/22/962257722.db2.gz KOZVLWJFDAFVRL-QHCPKHFHSA-N 1 0 411.594 3.758 50 0 HHAARO CCCC[C@@H]1C[N@H+](CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 ZINC000012244174 962257810 /nfs/dbraw/zinc/25/78/10/962257810.db2.gz JFXLYMAPSWZBQO-OAQYLSRUSA-N 1 0 406.530 3.794 50 0 HHAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H]([NH2+]CC1CCCCC1)CC3 ZINC000012243283 962257847 /nfs/dbraw/zinc/25/78/47/962257847.db2.gz ODQMACJQAATFPO-KRWDZBQOSA-N 1 0 408.571 3.929 50 0 HHAARO O=C(NCCc1cscn1)c1ccccc1OC1CC[NH+](Cc2ccccn2)CC1 ZINC000012304104 962268756 /nfs/dbraw/zinc/26/87/56/962268756.db2.gz OXVUYGFWSNNTBT-UHFFFAOYSA-N 1 0 422.554 3.554 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)Cc2[nH]nc3ccccc32)C1 ZINC000012316957 962270765 /nfs/dbraw/zinc/27/07/65/962270765.db2.gz IMIHFYMDCXYEFP-IBGZPJMESA-N 1 0 420.557 3.527 50 0 HHAARO Cc1cc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCC[N@H+]24)cc(C)c1O ZINC000012372830 962273489 /nfs/dbraw/zinc/27/34/89/962273489.db2.gz BBCCJVHLTGSGHW-KJOQGJGQSA-N 1 0 402.538 3.914 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 ZINC000012433976 962278363 /nfs/dbraw/zinc/27/83/63/962278363.db2.gz VHPVLUDDAXPWNQ-IBGZPJMESA-N 1 0 408.477 3.619 50 0 HHAARO Cn1cc(C[N@@H+]2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)c(-c2ccccc2)n1 ZINC000012711240 962315290 /nfs/dbraw/zinc/31/52/90/962315290.db2.gz AMNYHIHGDBCMRK-QHCPKHFHSA-N 1 0 416.525 3.763 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccc(OC)cc1)C2 ZINC000014536702 962524977 /nfs/dbraw/zinc/52/49/77/962524977.db2.gz ZLHIRAGOHVTXLO-HXUWFJFHSA-N 1 0 424.589 3.617 50 0 HHAARO Cc1nc2sccn2c1C[N@@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000015065414 962645535 /nfs/dbraw/zinc/64/55/35/962645535.db2.gz DRYXOFIRMYEDQU-KRWDZBQOSA-N 1 0 420.542 3.741 50 0 HHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc2ccccc21 ZINC000020452970 963389178 /nfs/dbraw/zinc/38/91/78/963389178.db2.gz ARGSREXGQOFGJU-MBSDFSHPSA-N 1 0 409.480 3.597 50 0 HHAARO CC(=O)N(c1nc(/C=C\C(=O)N2CC[NH+](CC(C)C)CC2)cs1)c1ccccc1 ZINC000096585356 969047460 /nfs/dbraw/zinc/04/74/60/969047460.db2.gz DTMFHVRPEOHAMK-KTKRTIGZSA-N 1 0 412.559 3.641 50 0 HHAARO CNC(=O)c1ccc(/C=C\C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1 ZINC000098004780 969185436 /nfs/dbraw/zinc/18/54/36/969185436.db2.gz KDOQLXWKEQXRMJ-NZIDHHNMSA-N 1 0 411.933 3.666 50 0 HHAARO COc1cccc(C(=O)N2CCC3(CC2)C[C@H]([N@H+](C)Cc2ccccc2)CCO3)c1 ZINC000169773928 970477377 /nfs/dbraw/zinc/47/73/77/970477377.db2.gz ICQLMISCAYIDQH-JOCHJYFZSA-N 1 0 408.542 3.981 50 0 HHAARO O=C(C1CCOCC1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779209 970479852 /nfs/dbraw/zinc/47/98/52/970479852.db2.gz NCBLUFGGQRHQFH-QHCPKHFHSA-N 1 0 412.574 3.618 50 0 HHAARO CC(=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(-n2ccnc2)cc1 ZINC000254852915 970581653 /nfs/dbraw/zinc/58/16/53/970581653.db2.gz ACIJYBUBBHFWBM-UHFFFAOYSA-N 1 0 423.691 3.964 50 0 HHAARO Cc1cnc(CO[C@H]2CCCN(C(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)C2)n1C ZINC000257176773 970617657 /nfs/dbraw/zinc/61/76/57/970617657.db2.gz URLBUUUQCLPWSR-KRWDZBQOSA-N 1 0 413.909 3.593 50 0 HHAARO O=C(c1cccnc1)N1CCCn2ccnc2[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257189712 970623806 /nfs/dbraw/zinc/62/38/06/970623806.db2.gz NZRFROPPASRNRE-HSZRJFAPSA-N 1 0 415.541 3.778 50 0 HHAARO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2nc(CCOCC3CCOCC3)no2)C1 ZINC000257189605 970623899 /nfs/dbraw/zinc/62/38/99/970623899.db2.gz JCZYWFXEGMCFJG-GOSISDBHSA-N 1 0 405.564 3.805 50 0 HHAARO O=C(CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](CN1C(=O)c1ccccc1)[C@@H]23)N1CCCC1 ZINC000257194929 970625933 /nfs/dbraw/zinc/62/59/33/970625933.db2.gz UZFDVMOTXNMASC-KBOSCXGNSA-N 1 0 423.601 3.794 50 0 HHAARO CO[C@H]1[C@H](NC(=O)CSC)c2ccccc2C12CC[NH+](CCc1ccccc1)CC2 ZINC000299762612 970721015 /nfs/dbraw/zinc/72/10/15/970721015.db2.gz OKMWTHNKGZLFNC-RPWUZVMVSA-N 1 0 424.610 3.812 50 0 HHAARO C[NH+](C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)CCCCc1ccccc1)CCO2 ZINC000299790755 970723584 /nfs/dbraw/zinc/72/35/84/970723584.db2.gz CNOQIIBAHZDXPB-RUZDIDTESA-N 1 0 410.558 3.590 50 0 HHAARO COCC(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2Cl)CC12CCCCC2 ZINC000409420387 972891187 /nfs/dbraw/zinc/89/11/87/972891187.db2.gz MFHTUOOANRALGY-QGZVFWFLSA-N 1 0 424.969 3.502 50 0 HHAARO COc1ccc([C@@H]([NH2+]CC(=O)N2CCC(OCc3ccccc3)CC2)C2CC2)cc1 ZINC000540592536 1011250196 /nfs/dbraw/zinc/25/01/96/1011250196.db2.gz PKLIIQNWNBNZPW-VWLOTQADSA-N 1 0 408.542 3.944 50 0 HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000001179440 132240663 /nfs/dbraw/zinc/24/06/63/132240663.db2.gz MQELJBIOOYOULG-UHFFFAOYSA-N 1 0 413.587 3.708 50 0 HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000004676819 132282343 /nfs/dbraw/zinc/28/23/43/132282343.db2.gz MVLSGOOBORSGFR-UHFFFAOYSA-N 1 0 421.585 3.955 50 0 HHAARO Cc1ccc2c(c1)N(C(=O)CCC(=O)NCCC[N@H+](C)Cc1ccccc1)C[C@@H](C)O2 ZINC000006798011 132317151 /nfs/dbraw/zinc/31/71/51/132317151.db2.gz JBPKQLDCIMJVQF-HXUWFJFHSA-N 1 0 423.557 3.527 50 0 HHAARO O=C(CCCc1ccccc1)Nc1cccc(N2CCC([NH2+][C@@H]3CCOC3)CC2)c1 ZINC000011786860 132350554 /nfs/dbraw/zinc/35/05/54/132350554.db2.gz LUBYUHVTMJTOFU-HSZRJFAPSA-N 1 0 407.558 3.995 50 0 HHAARO FC(F)(F)c1ccc(N2CCC[C@@H]([NH2+]C3CCN(Cc4ccco4)CC3)C2)nc1 ZINC000012597158 132364856 /nfs/dbraw/zinc/36/48/56/132364856.db2.gz QKAUJUXFINJHOI-GOSISDBHSA-N 1 0 408.468 3.916 50 0 HHAARO Cc1c(C(=O)Nc2ccc(Cl)cc2C)sc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000033048315 132501478 /nfs/dbraw/zinc/50/14/78/132501478.db2.gz ZKVLNIOYCHVYHR-UHFFFAOYSA-N 1 0 415.950 3.966 50 0 HHAARO CC(=O)Nc1nc2ccc(CC(=O)NCC[C@@H](C)[NH+]3CCCCCC3)cc2s1 ZINC000032959605 519753157 /nfs/dbraw/zinc/75/31/57/519753157.db2.gz VGXDSTXVTSUDBC-OAHLLOKOSA-N 1 0 402.564 3.568 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000042699185 520700364 /nfs/dbraw/zinc/70/03/64/520700364.db2.gz INYAPPOMJJCPIP-UHFFFAOYSA-N 1 0 409.530 3.782 50 0 HHAARO CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000032930757 520941903 /nfs/dbraw/zinc/94/19/03/520941903.db2.gz QFXCTELSOMCKJL-RXVVDRJESA-N 1 0 401.551 3.546 50 0 HHAARO CCC[NH+](CCC)[C@@H]1CCCC[C@H]1NC(=S)N[C@H](C(=O)NC(C)C)C(C)(C)C ZINC000043763938 521650045 /nfs/dbraw/zinc/65/00/45/521650045.db2.gz XULQYZJFCNMXTM-GUDVDZBRSA-N 1 0 412.688 3.823 50 0 HHAARO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 ZINC000032908703 521891781 /nfs/dbraw/zinc/89/17/81/521891781.db2.gz XZTIKVQKABGNGB-UHFFFAOYSA-N 1 0 419.569 3.680 50 0 HHAARO COc1cccc([C@H](CNC(=O)c2cnn(-c3ccccc3F)c2C)[NH+]2CCCC2)c1 ZINC000032903433 524161684 /nfs/dbraw/zinc/16/16/84/524161684.db2.gz YDZPDTPNLKDNBF-QHCPKHFHSA-N 1 0 422.504 3.895 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccccc2F)n1 ZINC000040355990 526248684 /nfs/dbraw/zinc/24/86/84/526248684.db2.gz IBIKYIDMPYPBRV-AWEZNQCLSA-N 1 0 404.511 3.529 50 0 HHAARO Cc1nc2cccnc2n1-c1cc(C(=O)NCC[C@@H](C)[NH+]2CCCC2)ccc1Cl ZINC000032932243 527182115 /nfs/dbraw/zinc/18/21/15/527182115.db2.gz AGWLZQDTYDTQAB-OAHLLOKOSA-N 1 0 411.937 3.987 50 0 HHAARO COc1ccccc1N1CCN(c2c3ccccc3oc(=O)c2C[NH+]2CCCC2)CC1 ZINC000007504109 537071428 /nfs/dbraw/zinc/07/14/28/537071428.db2.gz BQEPGJNWQWTLJX-UHFFFAOYSA-N 1 0 419.525 3.724 50 0 HHAARO C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccccc1I ZINC000000641639 557032909 /nfs/dbraw/zinc/03/29/09/557032909.db2.gz AZLNEGKRNAPIKU-CQSZACIVSA-N 1 0 409.267 3.969 50 0 HHAARO C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000002147535 557319327 /nfs/dbraw/zinc/31/93/27/557319327.db2.gz VMJLAPJNBUEOJR-UHFFFAOYSA-N 1 0 410.301 3.792 50 0 HHAARO Cc1ccc(OCCOCC[NH+]2CCC(C)CC2)c(I)c1 ZINC000002955917 557430641 /nfs/dbraw/zinc/43/06/41/557430641.db2.gz UXCTYFGTSBTYDE-UHFFFAOYSA-N 1 0 403.304 3.727 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740505 557443861 /nfs/dbraw/zinc/44/38/61/557443861.db2.gz QHTQETRUAUTZJL-DENIHFKCSA-N 1 0 401.526 3.500 50 0 HHAARO COCC(=O)N(C[C@@H]1C[N@H+](Cc2cccs2)C[C@@H]1c1ccccc1OC)C(C)C ZINC000034740915 557444419 /nfs/dbraw/zinc/44/44/19/557444419.db2.gz IQMZANICZKCOLZ-RXVVDRJESA-N 1 0 416.587 3.856 50 0 HHAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000034912437 557486923 /nfs/dbraw/zinc/48/69/23/557486923.db2.gz SBCMPHWSIBBLIK-UHFFFAOYSA-N 1 0 413.606 3.784 50 0 HHAARO COc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CCCn2ccnc2)c1 ZINC000035310472 557505372 /nfs/dbraw/zinc/50/53/72/557505372.db2.gz XXRMHADVBKEJIO-UHFFFAOYSA-N 1 0 401.514 3.983 50 0 HHAARO O=C1C[C@H]([NH2+]CCc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 ZINC000004682445 557580784 /nfs/dbraw/zinc/58/07/84/557580784.db2.gz NLSVFZPHOHCARU-INIZCTEOSA-N 1 0 407.695 3.567 50 0 HHAARO COc1ccc(-c2cc(C(=O)NCCSCc3ccc(C[NH+](C)C)o3)no2)cc1 ZINC000022668849 557735739 /nfs/dbraw/zinc/73/57/39/557735739.db2.gz APEOURLKLQRTSU-UHFFFAOYSA-N 1 0 415.515 3.668 50 0 HHAARO CCOc1ccc(N2C[C@@](O)(c3ccc(OC)c(OC)c3)[N+]3=C2CCCCC3)cc1 ZINC000002974611 557776115 /nfs/dbraw/zinc/77/61/15/557776115.db2.gz ZTHOFHOXHNPYGZ-XMMPIXPASA-N 1 0 411.522 3.753 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C)cc2)N2CC[NH+](C)CC2)cc1 ZINC000022794325 557822136 /nfs/dbraw/zinc/82/21/36/557822136.db2.gz FPZHZZRLSYEUAN-HSZRJFAPSA-N 1 0 409.574 3.711 50 0 HHAARO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@@H]2c1ccccc1 ZINC000009287510 557834239 /nfs/dbraw/zinc/83/42/39/557834239.db2.gz XGFDOSCJZDUNBE-QHCPKHFHSA-N 1 0 413.525 3.835 50 0 HHAARO O=C(CCc1nc(-c2ccccc2)no1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000011769977 558274310 /nfs/dbraw/zinc/27/43/10/558274310.db2.gz QMSWPEWXAGOUQK-QFIPXVFZSA-N 1 0 418.541 3.883 50 0 HHAARO O=C(NC[C@@H]1CCC2(CC[NH+](Cc3nc4ccccc4[nH]3)CC2)O1)c1ccccc1 ZINC000011784694 558275529 /nfs/dbraw/zinc/27/55/29/558275529.db2.gz PHRWWDLORJYRHP-IBGZPJMESA-N 1 0 404.514 3.507 50 0 HHAARO O=C(Cc1ccc(Cl)cc1)NC[C@@H]1CCC2(CC[NH+](Cc3cccnc3)CC2)O1 ZINC000011791347 558277474 /nfs/dbraw/zinc/27/74/74/558277474.db2.gz RRVWRRANJGHBQX-NRFANRHFSA-N 1 0 413.949 3.608 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)c1 ZINC000011818641 558281845 /nfs/dbraw/zinc/28/18/45/558281845.db2.gz HKRMKVGHVNMDAU-ONEGZZNKSA-N 1 0 412.505 3.759 50 0 HHAARO Cc1c(CN2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000019792881 558283777 /nfs/dbraw/zinc/28/37/77/558283777.db2.gz ROGAGCPNPOPAMI-QHCPKHFHSA-N 1 0 404.558 3.581 50 0 HHAARO NC(=O)CC[NH+]1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 ZINC000019801823 558285578 /nfs/dbraw/zinc/28/55/78/558285578.db2.gz YTRZDTTZCDSVOR-GOSISDBHSA-N 1 0 419.953 3.721 50 0 HHAARO CC(C)(C)C[NH+]1CCC(Oc2ccc(C(=O)NCCc3c[nH]cn3)cc2Cl)CC1 ZINC000011935599 558299704 /nfs/dbraw/zinc/29/97/04/558299704.db2.gz UTXNKTUMKTVPLH-UHFFFAOYSA-N 1 0 418.969 3.925 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000019881353 558300991 /nfs/dbraw/zinc/30/09/91/558300991.db2.gz FTUCIZNIMGFHOE-KMYAOZERSA-N 1 0 403.526 3.905 50 0 HHAARO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000011957631 558303731 /nfs/dbraw/zinc/30/37/31/558303731.db2.gz AGFAQAJHGMIHIO-QFIPXVFZSA-N 1 0 419.953 3.996 50 0 HHAARO CCc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000011972238 558305105 /nfs/dbraw/zinc/30/51/05/558305105.db2.gz AQYBESSAIORXBH-DEOSSOPVSA-N 1 0 421.585 3.789 50 0 HHAARO O=c1cc(C(F)(F)F)nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019991945 558317614 /nfs/dbraw/zinc/31/76/14/558317614.db2.gz XNJCBZYOBFNUCU-UHFFFAOYSA-N 1 0 414.431 3.700 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](Cc3ccc(C)o3)CC2)c(Cl)c1 ZINC000012072780 558317976 /nfs/dbraw/zinc/31/79/76/558317976.db2.gz VXHNQAPABVSVEW-UHFFFAOYSA-N 1 0 406.910 3.661 50 0 HHAARO CC(C)C(=O)N[C@H](C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000012098687 558325227 /nfs/dbraw/zinc/32/52/27/558325227.db2.gz ZBPXDNJXLPENPB-LJQANCHMSA-N 1 0 417.557 3.837 50 0 HHAARO O=C1CC[C@@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCc1ccc(F)cc1 ZINC000012099406 558325565 /nfs/dbraw/zinc/32/55/65/558325565.db2.gz IAEUTGPQXMPGIS-SFHVURJKSA-N 1 0 418.896 3.921 50 0 HHAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCCc3ccccc3)CC2)cc1O ZINC000012155246 558340018 /nfs/dbraw/zinc/34/00/18/558340018.db2.gz XUYKVBYVNQAOLX-OAQYLSRUSA-N 1 0 408.542 3.752 50 0 HHAARO Cc1c(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000020166096 558342967 /nfs/dbraw/zinc/34/29/67/558342967.db2.gz NSFZYIILAWDYSK-DEOSSOPVSA-N 1 0 418.585 3.623 50 0 HHAARO COc1cc(C[NH2+]Cc2ccc(F)cc2)ccc1Oc1nnnn1-c1ccccc1 ZINC000020228736 558349841 /nfs/dbraw/zinc/34/98/41/558349841.db2.gz SETFOUHLQXWBIA-UHFFFAOYSA-N 1 0 405.433 3.892 50 0 HHAARO Cc1nnsc1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000012197404 558350260 /nfs/dbraw/zinc/35/02/60/558350260.db2.gz RYZJNUUULPNGPW-LJQANCHMSA-N 1 0 413.591 3.929 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012210083 558353791 /nfs/dbraw/zinc/35/37/91/558353791.db2.gz LKILXATTWHWHQB-RUZDIDTESA-N 1 0 411.542 3.754 50 0 HHAARO O[C@@H](COc1ccc(F)cc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421516 558361927 /nfs/dbraw/zinc/36/19/27/558361927.db2.gz YGNJSKJVZZPYPP-XMMPIXPASA-N 1 0 420.528 3.973 50 0 HHAARO COc1ccc(C(=O)NC2CC2)cc1OC1CC[NH+]([C@@H](C)Cc2cc(C)ccn2)CC1 ZINC000020450718 558365533 /nfs/dbraw/zinc/36/55/33/558365533.db2.gz MYJMDHNEGYCHGR-SFHVURJKSA-N 1 0 423.557 3.765 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@@H]2CCCO2)C(=O)Cc2ccncc2)CC1 ZINC000012305648 558374732 /nfs/dbraw/zinc/37/47/32/558374732.db2.gz HZYKYMVJTIPTBQ-VWLOTQADSA-N 1 0 421.585 3.852 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2ccncc2)CC1 ZINC000012305650 558374761 /nfs/dbraw/zinc/37/47/61/558374761.db2.gz HZYKYMVJTIPTBQ-RUZDIDTESA-N 1 0 421.585 3.852 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3cc4ccccc4o3)CC2)c1 ZINC000012313904 558377555 /nfs/dbraw/zinc/37/75/55/558377555.db2.gz VIQCXQCSUPUTDA-UHFFFAOYSA-N 1 0 408.498 3.852 50 0 HHAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1Cc1cccc(F)c1 ZINC000012328945 558383645 /nfs/dbraw/zinc/38/36/45/558383645.db2.gz RDMHMDLRWCPLAB-QGZVFWFLSA-N 1 0 404.869 3.879 50 0 HHAARO O=C(Cc1cnc(-n2cccc2)s1)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000020718889 558402249 /nfs/dbraw/zinc/40/22/49/558402249.db2.gz DDBJTYJSQLYASE-UHFFFAOYSA-N 1 0 408.571 3.895 50 0 HHAARO CC(=O)c1ccc(OCC(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1 ZINC000012432867 558407009 /nfs/dbraw/zinc/40/70/09/558407009.db2.gz ANQKKYALLDXINW-QHCPKHFHSA-N 1 0 408.542 3.824 50 0 HHAARO CCN1CC[NH+](C2CCN(c3ccc(C(=O)N[C@H](C)c4ccccc4)cc3)CC2)CC1 ZINC000020782998 558413041 /nfs/dbraw/zinc/41/30/41/558413041.db2.gz CHGKDFGMJBPNMR-OAQYLSRUSA-N 1 0 420.601 3.784 50 0 HHAARO O=C(NCC1([NH+]2CCCCC2)CCCC1)[C@H]1CCC(=O)N(CC2CCCCC2)C1 ZINC000012479863 558423226 /nfs/dbraw/zinc/42/32/26/558423226.db2.gz WYLCQAPVSLVBTO-NRFANRHFSA-N 1 0 403.611 3.720 50 0 HHAARO CCOCCCNC(=O)c1cc(OC)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000012574176 558430343 /nfs/dbraw/zinc/43/03/43/558430343.db2.gz SRCZNFCJVFQYKF-UHFFFAOYSA-N 1 0 404.551 3.637 50 0 HHAARO CC(=O)Nc1ccnn1C1CC[NH+](Cc2cc(F)ccc2-n2nc(C)cc2C)CC1 ZINC000012580534 558432325 /nfs/dbraw/zinc/43/23/25/558432325.db2.gz SIDXTESSSSKCRT-UHFFFAOYSA-N 1 0 410.497 3.620 50 0 HHAARO COc1ccc(-n2cc(C[NH2+]C[C@@H]3COCCO3)c(-c3ccccc3Cl)n2)cc1 ZINC000012586104 558434106 /nfs/dbraw/zinc/43/41/06/558434106.db2.gz NYFVZETXZOTSHL-LJQANCHMSA-N 1 0 413.905 3.706 50 0 HHAARO Cc1cc(C)n(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)n1 ZINC000012593871 558436587 /nfs/dbraw/zinc/43/65/87/558436587.db2.gz HWWVDYHDFAVVJE-UHFFFAOYSA-N 1 0 415.497 3.871 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000012595124 558437388 /nfs/dbraw/zinc/43/73/88/558437388.db2.gz AVIXWNUGZDCXHI-INIZCTEOSA-N 1 0 410.468 3.823 50 0 HHAARO O=C(c1ccc2c(c1)OCO2)N1CC[C@@]2(C1)CCC[N@H+](CCCc1ccccc1)C2 ZINC000012703562 558448617 /nfs/dbraw/zinc/44/86/17/558448617.db2.gz FVGSSLVJVXIXMA-VWLOTQADSA-N 1 0 406.526 3.976 50 0 HHAARO C[NH+](C)CCCN(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccc(F)cc2s1 ZINC000004359624 558456778 /nfs/dbraw/zinc/45/67/78/558456778.db2.gz GCMIYTIHKDPSIC-GOSISDBHSA-N 1 0 415.490 3.560 50 0 HHAARO O=C1NCCN1c1ccc(C[N@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012762811 558461362 /nfs/dbraw/zinc/46/13/62/558461362.db2.gz UTOBZSYFHQKVIW-VWLOTQADSA-N 1 0 407.558 3.814 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C)c1ccccc1 ZINC000012794426 558467656 /nfs/dbraw/zinc/46/76/56/558467656.db2.gz AMJQWHOAKOQPID-VXKWHMMOSA-N 1 0 413.537 3.779 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012818026 558476082 /nfs/dbraw/zinc/47/60/82/558476082.db2.gz BJUVPTZYNUAMOV-VXKWHMMOSA-N 1 0 411.521 3.533 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000012835388 558477825 /nfs/dbraw/zinc/47/78/25/558477825.db2.gz WMUZQIPZKREFMR-LJQANCHMSA-N 1 0 413.468 3.973 50 0 HHAARO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[N@@H+]5CCC[C@@H]5C4)cc3)sc2c1 ZINC000022752751 558507817 /nfs/dbraw/zinc/50/78/17/558507817.db2.gz PZSUYMXJTDFDJP-LJQANCHMSA-N 1 0 406.555 3.990 50 0 HHAARO Cc1ccc2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(=O)n2c1 ZINC000022782802 558510174 /nfs/dbraw/zinc/51/01/74/558510174.db2.gz PUPOZCWMJSTBAX-UHFFFAOYSA-N 1 0 424.548 3.910 50 0 HHAARO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)N1CCC(c2ccccc2)=N1 ZINC000022786109 558511061 /nfs/dbraw/zinc/51/10/61/558511061.db2.gz UGXYHWYSTGNJNX-UHFFFAOYSA-N 1 0 412.537 3.594 50 0 HHAARO Cc1cc(C)n(-c2ccc(F)cc2CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)n1 ZINC000022932694 558524908 /nfs/dbraw/zinc/52/49/08/558524908.db2.gz VSPBXXAVMJANBD-DEOSSOPVSA-N 1 0 422.548 3.697 50 0 HHAARO CC[NH+]1CCN(CC(=O)NCc2ccc3[nH]c(-c4ccc(F)cc4)c(C)c3c2)CC1 ZINC000023374853 558554568 /nfs/dbraw/zinc/55/45/68/558554568.db2.gz VVPMGDOOYXWVFF-UHFFFAOYSA-N 1 0 408.521 3.536 50 0 HHAARO OCC[C@@H]1CN(Cc2c[nH]nc2-c2ccccc2)CC[N@@H+]1CCCc1ccccc1 ZINC000023375270 558554792 /nfs/dbraw/zinc/55/47/92/558554792.db2.gz GWBFSEDNPRJLFB-XMMPIXPASA-N 1 0 404.558 3.578 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023718917 558570435 /nfs/dbraw/zinc/57/04/35/558570435.db2.gz FRWHTMJXZZEQFH-HXUWFJFHSA-N 1 0 416.953 3.597 50 0 HHAARO O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024633025 558605747 /nfs/dbraw/zinc/60/57/47/558605747.db2.gz IRJDTYIBVXXHDK-UHFFFAOYSA-N 1 0 415.537 3.872 50 0 HHAARO Cn1nnnc1SCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000013945472 558606901 /nfs/dbraw/zinc/60/69/01/558606901.db2.gz REKYTEWKSLGLEO-UHFFFAOYSA-N 1 0 424.357 3.978 50 0 HHAARO COc1cc(OC)c(OC)c2[nH]c(C(=O)N[C@@H]3CC[N@@H+](C4CCCCCC4)C3)cc21 ZINC000072230573 558619073 /nfs/dbraw/zinc/61/90/73/558619073.db2.gz GZFKIXOJZQIDPW-OAHLLOKOSA-N 1 0 415.534 3.721 50 0 HHAARO COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014239193 558642779 /nfs/dbraw/zinc/64/27/79/558642779.db2.gz AZBIKEUTFNSGNG-QHCPKHFHSA-N 1 0 419.525 3.668 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(Br)cc1F ZINC000025861900 558651447 /nfs/dbraw/zinc/65/14/47/558651447.db2.gz JKHNEAUIPHELPL-UHFFFAOYSA-N 1 0 420.326 3.530 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]C1Cc3ccccc3C1)C2 ZINC000014536204 558658212 /nfs/dbraw/zinc/65/82/12/558658212.db2.gz WMOUUJWGAZIGOI-HXUWFJFHSA-N 1 0 406.574 3.534 50 0 HHAARO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000026299711 558658602 /nfs/dbraw/zinc/65/86/02/558658602.db2.gz ZIXHHZJJVCNDCX-FDDCHVKYSA-N 1 0 403.530 3.796 50 0 HHAARO CCN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000014539615 558659465 /nfs/dbraw/zinc/65/94/65/558659465.db2.gz WFNZBUDZKHRBPE-GOSISDBHSA-N 1 0 424.545 3.796 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)c(C)c2)CC1 ZINC000026908860 558666817 /nfs/dbraw/zinc/66/68/17/558666817.db2.gz HNKXBIDDDXAZIC-UHFFFAOYSA-N 1 0 424.570 3.824 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1Cl)C2 ZINC000014740949 558666862 /nfs/dbraw/zinc/66/68/62/558666862.db2.gz WVHGKABSSPSKBX-KRWDZBQOSA-N 1 0 400.954 3.830 50 0 HHAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(C(C)C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014746834 558669347 /nfs/dbraw/zinc/66/93/47/558669347.db2.gz BGECRCCMAHIDAF-GOSISDBHSA-N 1 0 401.551 3.543 50 0 HHAARO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](C/C=C/c3ccccc3OC)CC2)C1=O ZINC000014750104 558670544 /nfs/dbraw/zinc/67/05/44/558670544.db2.gz KXUQZBMLGDZTNX-CSKARUKUSA-N 1 0 413.562 3.873 50 0 HHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3ncc(C)c(-c4cccs4)n3)c2C)C1 ZINC000014886879 558677645 /nfs/dbraw/zinc/67/76/45/558677645.db2.gz HNRMMZVZMPYPBP-KRWDZBQOSA-N 1 0 424.574 3.564 50 0 HHAARO COC(=O)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1 ZINC000014955617 558682274 /nfs/dbraw/zinc/68/22/74/558682274.db2.gz ZWSMVPUSGPFIBS-SFHVURJKSA-N 1 0 412.505 3.639 50 0 HHAARO COc1ccc(C(=O)CCC(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000014956770 558682662 /nfs/dbraw/zinc/68/26/62/558682662.db2.gz FOMPIYRXAGQVCI-JOCHJYFZSA-N 1 0 408.542 3.824 50 0 HHAARO COc1ccc([C@@H](CNC(=O)[C@H](C)Oc2ccccc2F)[NH+]2CCCCC2)cc1 ZINC000027794321 558682864 /nfs/dbraw/zinc/68/28/64/558682864.db2.gz KUGQEVHCUDJCHY-LAUBAEHRSA-N 1 0 400.494 3.945 50 0 HHAARO COc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cc(OC)c1 ZINC000014972455 558687796 /nfs/dbraw/zinc/68/77/96/558687796.db2.gz JVYRGEGVOORBEB-UHFFFAOYSA-N 1 0 420.513 3.990 50 0 HHAARO O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000028036867 558689811 /nfs/dbraw/zinc/68/98/11/558689811.db2.gz ZQQPBXQHLFLZCT-UHFFFAOYSA-N 1 0 402.545 3.527 50 0 HHAARO Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000028022734 558689853 /nfs/dbraw/zinc/68/98/53/558689853.db2.gz OYJYSMHKHFBIKZ-UHFFFAOYSA-N 1 0 410.543 3.970 50 0 HHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2cccc(-n3cccn3)c2)c1 ZINC000014977815 558689990 /nfs/dbraw/zinc/68/99/90/558689990.db2.gz IDOASEZUIBGWJM-OAQYLSRUSA-N 1 0 404.514 3.552 50 0 HHAARO Cc1cnc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000014978804 558690397 /nfs/dbraw/zinc/69/03/97/558690397.db2.gz MNYMXSNDUNATRN-GOSISDBHSA-N 1 0 420.479 3.831 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)[C@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1 ZINC000028293553 558698527 /nfs/dbraw/zinc/69/85/27/558698527.db2.gz DUUABTSIADMIET-NRFANRHFSA-N 1 0 401.595 3.527 50 0 HHAARO Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c(Cl)cc12 ZINC000028349672 558699543 /nfs/dbraw/zinc/69/95/43/558699543.db2.gz KBNRRYTZJGLIKS-YJBOKZPZSA-N 1 0 418.921 3.514 50 0 HHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+]([C@@H](C)CCSC)CC2)c1 ZINC000015063110 558705663 /nfs/dbraw/zinc/70/56/63/558705663.db2.gz OHOXUWAWULAMTD-KRWDZBQOSA-N 1 0 406.592 3.916 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2cnc(N(C)C)s2)C1 ZINC000015064200 558706938 /nfs/dbraw/zinc/70/69/38/558706938.db2.gz NXCVHWBPSMKKNU-GOSISDBHSA-N 1 0 402.608 3.604 50 0 HHAARO COc1ccccc1C[NH+]1CCC(CN(CC(C)C)C(=O)c2snnc2C)CC1 ZINC000015064383 558707316 /nfs/dbraw/zinc/70/73/16/558707316.db2.gz PGYHOBAECPCAOH-UHFFFAOYSA-N 1 0 416.591 3.866 50 0 HHAARO c1ccc(CN2CCC([NH2+][C@H]3CCCN(c4nc5ccccc5s4)C3)CC2)nc1 ZINC000015064773 558707715 /nfs/dbraw/zinc/70/77/15/558707715.db2.gz QGBFKGLNTWLXCX-FQEVSTJZSA-N 1 0 407.587 3.914 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)c1ccccc1 ZINC000028957097 558707939 /nfs/dbraw/zinc/70/79/39/558707939.db2.gz DHHPQPXOUPJBEJ-SJLPKXTDSA-N 1 0 403.935 3.562 50 0 HHAARO O=C(CCC1CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1)N1CCOCC1 ZINC000015065381 558708301 /nfs/dbraw/zinc/70/83/01/558708301.db2.gz HBISXGDEQSNVTD-UHFFFAOYSA-N 1 0 400.563 3.859 50 0 HHAARO CC[N@H+](CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015068603 558711294 /nfs/dbraw/zinc/71/12/94/558711294.db2.gz JTXRVQCNLCXMGM-UHFFFAOYSA-N 1 0 415.497 3.987 50 0 HHAARO CC[NH+](CC)[C@@H](C(=O)NCc1ccc(NC(N)=O)cc1)c1cccc(C(F)(F)F)c1 ZINC000072284285 558715853 /nfs/dbraw/zinc/71/58/53/558715853.db2.gz HKNVTIYEPBTYHM-GOSISDBHSA-N 1 0 422.451 3.895 50 0 HHAARO COc1cc(C[C@@H]2CC(C[NH2+]Cc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081378 558718993 /nfs/dbraw/zinc/71/89/93/558718993.db2.gz KSIGJMIVEPCDIA-QGZVFWFLSA-N 1 0 418.877 3.563 50 0 HHAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(OC)c(OC)c(OC)c2)N3)C1 ZINC000004556307 558725531 /nfs/dbraw/zinc/72/55/31/558725531.db2.gz RPMKWVKRDFMHHW-SFHVURJKSA-N 1 0 403.504 3.581 50 0 HHAARO COc1cc(OC)c(OC)cc1C[NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000030545418 558732375 /nfs/dbraw/zinc/73/23/75/558732375.db2.gz CTAQXMWJBOVOSU-UHFFFAOYSA-N 1 0 424.497 3.985 50 0 HHAARO O=C(c1ccco1)N1CCC[C@@]2(C1)Nc1cccnc1[NH+]=C2NCc1ccccc1 ZINC000065265676 558735605 /nfs/dbraw/zinc/73/56/05/558735605.db2.gz JPQUUYVHJMEBAF-QHCPKHFHSA-N 1 0 401.470 3.595 50 0 biogenic HHAARO COc1cc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000015477249 558740783 /nfs/dbraw/zinc/74/07/83/558740783.db2.gz DXBYMFMFECDJJG-QZEKMECESA-N 1 0 414.502 3.662 50 0 HHAARO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000015679390 558748824 /nfs/dbraw/zinc/74/88/24/558748824.db2.gz FSTZMZYJXIEXDZ-UHFFFAOYSA-N 1 0 417.351 3.930 50 0 HHAARO CCc1ccccc1NC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000033318539 558766319 /nfs/dbraw/zinc/76/63/19/558766319.db2.gz BZLHJMQGVJKFEB-UHFFFAOYSA-N 1 0 408.550 3.692 50 0 HHAARO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000004580658 558766737 /nfs/dbraw/zinc/76/67/37/558766737.db2.gz ORJFYUPREGGLMN-UHFFFAOYSA-N 1 0 418.603 3.751 50 0 HHAARO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)cc1C ZINC000004581168 558767136 /nfs/dbraw/zinc/76/71/36/558767136.db2.gz FTQJENVLAQONJF-UHFFFAOYSA-N 1 0 402.604 3.887 50 0 HHAARO CN(Cc1ccccc1Cl)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000072309745 558773978 /nfs/dbraw/zinc/77/39/78/558773978.db2.gz ZYVPAJLTKFKFDH-UHFFFAOYSA-N 1 0 416.953 3.630 50 0 HHAARO Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc4c(c3)OCCO4)sc2cc1C ZINC000004586162 558782018 /nfs/dbraw/zinc/78/20/18/558782018.db2.gz BSDISBRCAKWDFS-UHFFFAOYSA-N 1 0 411.527 3.893 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@@H+](CCC(C)C)[C@H](CCO)C1 ZINC000038149276 558811032 /nfs/dbraw/zinc/81/10/32/558811032.db2.gz UGCGHCLEVHEWLA-JOCHJYFZSA-N 1 0 402.558 3.543 50 0 HHAARO Cc1cc(C)n(-c2cccc(CN3CC[N@H+](CCc4ccccc4)[C@H](CCO)C3)c2)n1 ZINC000039364236 558820384 /nfs/dbraw/zinc/82/03/84/558820384.db2.gz XYZFJEYWQBSSJM-AREMUKBSSA-N 1 0 418.585 3.600 50 0 HHAARO COc1cc2c(cc1C[NH2+][C@H]1CCCN(c3ccc(C(F)(F)F)cn3)C1)OCO2 ZINC000019223093 558852275 /nfs/dbraw/zinc/85/22/75/558852275.db2.gz ZGTWOWATIZMULZ-HNNXBMFYSA-N 1 0 409.408 3.596 50 0 HHAARO COc1cc2c(cc1C[NH2+][C@@H]1CCCN(c3ccc(C(F)(F)F)cn3)C1)OCO2 ZINC000019223092 558852295 /nfs/dbraw/zinc/85/22/95/558852295.db2.gz ZGTWOWATIZMULZ-OAHLLOKOSA-N 1 0 409.408 3.596 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC000023017974 558863115 /nfs/dbraw/zinc/86/31/15/558863115.db2.gz PVKGRKAVVYKXCX-VQTJNVASSA-N 1 0 411.571 3.554 50 0 HHAARO COc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)cc1OC ZINC000019300342 558866121 /nfs/dbraw/zinc/86/61/21/558866121.db2.gz BVCODQJLYMAJBK-FQEVSTJZSA-N 1 0 413.537 3.630 50 0 HHAARO Cc1ccc(CCC(=O)N2CCC[C@@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055042136 558870470 /nfs/dbraw/zinc/87/04/70/558870470.db2.gz PVJIDBIDJUTCTG-XMMPIXPASA-N 1 0 409.549 3.880 50 0 HHAARO C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1 ZINC000055326978 558879369 /nfs/dbraw/zinc/87/93/69/558879369.db2.gz BATCCVLRBAYAMG-UHFFFAOYSA-N 1 0 405.542 3.561 50 0 HHAARO CC(=O)Nc1nc(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cs1 ZINC000058143726 558901654 /nfs/dbraw/zinc/90/16/54/558901654.db2.gz KHDPZRYMRIPENL-GASCZTMLSA-N 1 0 400.548 3.509 50 0 HHAARO CCC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000058156825 558903069 /nfs/dbraw/zinc/90/30/69/558903069.db2.gz YBJGCQWVLCWBHW-UHFFFAOYSA-N 1 0 404.514 3.716 50 0 HHAARO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1I ZINC000058160710 558905372 /nfs/dbraw/zinc/90/53/72/558905372.db2.gz ZVHABDXESJHHNY-LBPRGKRZSA-N 1 0 410.255 3.589 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(-n2cncn2)cc1C(F)(F)F)c1cccs1 ZINC000058162097 558906148 /nfs/dbraw/zinc/90/61/48/558906148.db2.gz MWXQYHQTPHDMHO-OAHLLOKOSA-N 1 0 424.452 3.772 50 0 HHAARO C[C@@H]1C[N@@H+](CC2CCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C[C@H](C)O1 ZINC000058227371 558913705 /nfs/dbraw/zinc/91/37/05/558913705.db2.gz CHICMEBTUXRVHK-GASCZTMLSA-N 1 0 414.377 3.753 50 0 HHAARO CCOC(=O)N1CCC(N(CC[NH+](C)C)C(=S)Nc2ccccc2Cl)CC1 ZINC000004710303 558914302 /nfs/dbraw/zinc/91/43/02/558914302.db2.gz FRUIKUIJTWWSBM-UHFFFAOYSA-N 1 0 412.987 3.521 50 0 HHAARO CCOc1ccc(-c2nc(CSCC(=O)NCCC[NH+]3CCCC3)c(C)o2)cc1 ZINC000004715077 558914505 /nfs/dbraw/zinc/91/45/05/558914505.db2.gz QFVYZYWFWKBUNZ-UHFFFAOYSA-N 1 0 417.575 3.884 50 0 HHAARO O=C(NC[C@@H]([C@H]1CCOC1)[NH+]1CCCC1)Nc1ccc(OCc2cccs2)cc1 ZINC000058331393 558920124 /nfs/dbraw/zinc/92/01/24/558920124.db2.gz VBZBPNSCOVIEGT-UWJYYQICSA-N 1 0 415.559 3.950 50 0 HHAARO CCN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccc1C[NH+](CC)CC ZINC000058467168 558928009 /nfs/dbraw/zinc/92/80/09/558928009.db2.gz ZYAWXOVYMBKOJO-NRFANRHFSA-N 1 0 411.546 3.900 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3cc(N4CCCC4)[nH+]c(C)n3)CC2)cc1Cl ZINC000072139277 558928972 /nfs/dbraw/zinc/92/89/72/558928972.db2.gz AILCXVASLPONMR-UHFFFAOYSA-N 1 0 414.941 3.701 50 0 HHAARO COc1cc(Br)c(CN2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000019609066 558946912 /nfs/dbraw/zinc/94/69/12/558946912.db2.gz YVQXLUFOXHPKBN-UHFFFAOYSA-N 1 0 405.336 3.784 50 0 HHAARO O=C(CC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000019626761 558947288 /nfs/dbraw/zinc/94/72/88/558947288.db2.gz LHWYIJDQWAAMBY-UHFFFAOYSA-N 1 0 407.436 3.732 50 0 HHAARO CCc1cccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000065365839 558976635 /nfs/dbraw/zinc/97/66/35/558976635.db2.gz QAMFZCJTAACNPO-UHFFFAOYSA-N 1 0 408.550 3.692 50 0 HHAARO O=C(NCc1nc(-c2cccs2)no1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000067601849 558987553 /nfs/dbraw/zinc/98/75/53/558987553.db2.gz GHGSHTKCOFKISR-UHFFFAOYSA-N 1 0 416.934 3.980 50 0 HHAARO C[NH+]1CCC(N(c2ccccc2)S(=O)(=O)c2cc(Cl)cc3c2OCC3)CC1 ZINC000097117241 558996120 /nfs/dbraw/zinc/99/61/20/558996120.db2.gz PJXMWHDROYUNSF-UHFFFAOYSA-N 1 0 406.935 3.564 50 0 HHAARO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000023114563 559012584 /nfs/dbraw/zinc/01/25/84/559012584.db2.gz NFTBHWHEEJLRLO-SCBMRQJBSA-N 1 0 404.982 3.808 50 0 HHAARO CCCN(C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCC1 ZINC000082083824 559036663 /nfs/dbraw/zinc/03/66/63/559036663.db2.gz UMOOROUJGKDEKU-QFIPXVFZSA-N 1 0 412.622 3.939 50 0 HHAARO O=C([C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1)N1CCCCCCCC1 ZINC000082127220 559039868 /nfs/dbraw/zinc/03/98/68/559039868.db2.gz PAVSQWRGQBNVCP-HSZRJFAPSA-N 1 0 412.622 3.941 50 0 HHAARO Cc1ccccc1Sc1nccnc1SCC(=O)NCC[NH+]1CCCCC1 ZINC000033288973 559044449 /nfs/dbraw/zinc/04/44/49/559044449.db2.gz MCAQZYUDNOJPJM-UHFFFAOYSA-N 1 0 402.589 3.630 50 0 HHAARO COc1ccc(C(=O)NCCc2cccs2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000095522415 559085503 /nfs/dbraw/zinc/08/55/03/559085503.db2.gz RVYCDNDAKUFCLQ-UHFFFAOYSA-N 1 0 402.560 3.981 50 0 HHAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000014245832 559161885 /nfs/dbraw/zinc/16/18/85/559161885.db2.gz OBMHOTWZMJIZDZ-UHFFFAOYSA-N 1 0 402.542 3.815 50 0 HHAARO COc1ccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)cc1Cl ZINC000072405072 559190922 /nfs/dbraw/zinc/19/09/22/559190922.db2.gz FIUJJLIXOVFARV-UHFFFAOYSA-N 1 0 420.893 3.695 50 0 HHAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000004879686 559196127 /nfs/dbraw/zinc/19/61/27/559196127.db2.gz CFLHPIIEIIYTCB-KRWDZBQOSA-N 1 0 402.535 3.580 50 0 HHAARO O=C1C[C@@H]([NH2+]C23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc(Br)cc1 ZINC000004904839 559200511 /nfs/dbraw/zinc/20/05/11/559200511.db2.gz PCCYUJRAKWLFES-ANCGMVAHSA-N 1 0 403.320 3.639 50 0 HHAARO COc1cc(NC(=O)c2cc3cc4c5c(c3oc2=[NH2+])CCCN5CCC4)cc(OC)c1 ZINC000004921994 559207018 /nfs/dbraw/zinc/20/70/18/559207018.db2.gz VKLQCYIOFPCXQV-UHFFFAOYSA-N 1 0 419.481 3.881 50 0 HHAARO O=C(CC1(n2cccc2)CCOCC1)Nc1ccccc1OCC[NH+]1CCCCC1 ZINC000409413570 559250747 /nfs/dbraw/zinc/25/07/47/559250747.db2.gz IWJAMFJJYSCVLO-UHFFFAOYSA-N 1 0 411.546 3.887 50 0 HHAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H](CCSC)n1cccc1 ZINC000409413970 559250898 /nfs/dbraw/zinc/25/08/98/559250898.db2.gz HMPCLVYNJFZKMK-BHDDXSALSA-N 1 0 421.651 3.912 50 0 HHAARO COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)c(C)c1 ZINC000011818795 559260507 /nfs/dbraw/zinc/26/05/07/559260507.db2.gz CPIFUTQOEQLNDN-HXUWFJFHSA-N 1 0 415.578 3.837 50 0 HHAARO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000248115875 559264086 /nfs/dbraw/zinc/26/40/86/559264086.db2.gz SHTFPMVMGLVGSN-NFAWXSAZSA-N 1 0 419.360 3.614 50 0 HHAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]12CC[N@H+](CCOc1ccccc1)C2 ZINC000426538654 559274589 /nfs/dbraw/zinc/27/45/89/559274589.db2.gz ULHOSFHAYIAXFC-QHCPKHFHSA-N 1 0 400.469 3.858 50 0 HHAARO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NC2CCCCC2)cc1 ZINC000005164251 559275797 /nfs/dbraw/zinc/27/57/97/559275797.db2.gz ZVKBSENSURYYII-JRFVFWCSSA-N 1 0 400.563 3.812 50 0 HHAARO Nc1nn2c(nc(-c3ccccc3)cc2-c2ccccc2)[n+]1CC(=O)c1ccccc1 ZINC000005279898 560561913 /nfs/dbraw/zinc/56/19/13/560561913.db2.gz YWJFYDCTUBOQHJ-UHFFFAOYSA-N 1 0 406.469 3.816 50 0 HHAARO CC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2C1 ZINC000062007124 560566341 /nfs/dbraw/zinc/56/63/41/560566341.db2.gz FWRKOUFFVTUWQP-UHFFFAOYSA-N 1 0 422.916 3.580 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cncn2-c2ccc(F)cc2)[NH+]2CCCC2)cc1 ZINC000017911670 560730520 /nfs/dbraw/zinc/73/05/20/560730520.db2.gz YOQFJCPYDCHIDH-OAQYLSRUSA-N 1 0 408.477 3.587 50 0 HHAARO Cc1noc(COc2ccccc2OC[C@@H](O)C[N@H+](Cc2ccccc2)C(C)C)n1 ZINC000003154776 560750064 /nfs/dbraw/zinc/75/00/64/560750064.db2.gz GYHQROWBQCPTKR-FQEVSTJZSA-N 1 0 411.502 3.607 50 0 HHAARO CC[C@@H](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)N1Cc2ccccc2C1=O ZINC000583652520 560779344 /nfs/dbraw/zinc/77/93/44/560779344.db2.gz KZCPABYIXPBIRS-VGOFRKELSA-N 1 0 409.530 3.636 50 0 HHAARO CC[NH+](CC)CCOc1ccccc1CNC(=O)CSCc1csc(C)n1 ZINC000046890777 560878600 /nfs/dbraw/zinc/87/86/00/560878600.db2.gz BFXMTRFVVAGUQY-UHFFFAOYSA-N 1 0 407.605 3.722 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1cccs1 ZINC000047588558 560892694 /nfs/dbraw/zinc/89/26/94/560892694.db2.gz GODQZBNFFDDDHB-MRXNPFEDSA-N 1 0 406.939 3.718 50 0 HHAARO Cc1ccc(OCCC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000048289093 568434898 /nfs/dbraw/zinc/43/48/98/568434898.db2.gz KAWROSRJAQBXGN-SFTDATJTSA-N 1 0 410.558 3.998 50 0 HHAARO C[NH+](C)C[C@@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@@H](O)c1ccccc1 ZINC000048275196 568435457 /nfs/dbraw/zinc/43/54/57/568435457.db2.gz KYEHYGQAEPWBEK-MSOLQXFVSA-N 1 0 417.579 3.619 50 0 HHAARO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(I)c2)C1 ZINC000048313419 568439161 /nfs/dbraw/zinc/43/91/61/568439161.db2.gz CAMRPBCXZPQFOW-AWEZNQCLSA-N 1 0 400.304 3.533 50 0 HHAARO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CN(C)C(=O)c2ccccc2)C1 ZINC000048373997 568442316 /nfs/dbraw/zinc/44/23/16/568442316.db2.gz ZCGYDLYJBSSASO-PMACEKPBSA-N 1 0 407.558 3.553 50 0 HHAARO Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000049006118 568444662 /nfs/dbraw/zinc/44/46/62/568444662.db2.gz BOAQTEXDLHURAF-UHFFFAOYSA-N 1 0 403.527 3.820 50 0 HHAARO CCC[N@@H+]1CCc2nc(-c3ccccc3)n(CC(=O)Nc3ccccc3C)c(=O)c2C1 ZINC000049400697 568447702 /nfs/dbraw/zinc/44/77/02/568447702.db2.gz OGPUOZVVHWVIDK-UHFFFAOYSA-N 1 0 416.525 3.626 50 0 HHAARO CC[NH+]1CCC(N(Cc2ccco2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000006877600 568462937 /nfs/dbraw/zinc/46/29/37/568462937.db2.gz OBYGNZREHKFNFQ-UHFFFAOYSA-N 1 0 417.506 3.824 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)O[C@@H](C)C2 ZINC000022804355 568499785 /nfs/dbraw/zinc/49/97/85/568499785.db2.gz JNEXNZCUVPEBRT-PXNSSMCTSA-N 1 0 415.603 3.549 50 0 HHAARO CC[NH+]1CCN(CCCN(Cc2ccco2)C(=S)Nc2ccc(OC)cc2)CC1 ZINC000020107821 568588164 /nfs/dbraw/zinc/58/81/64/568588164.db2.gz NGNOOYMDMIRRBM-UHFFFAOYSA-N 1 0 416.591 3.515 50 0 HHAARO C[C@H](NC(=O)OC(C)(C)C)[C@@H](Cc1ccccc1)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000095432511 568609361 /nfs/dbraw/zinc/60/93/61/568609361.db2.gz NQSUMJCNGCJJDJ-LRXVAGHRSA-N 1 0 407.624 3.538 50 0 HHAARO C[C@H](NC(=O)OC(C)(C)C)[C@H](Cc1ccccc1)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000095432513 568609378 /nfs/dbraw/zinc/60/93/78/568609378.db2.gz NQSUMJCNGCJJDJ-LQBOVUBWSA-N 1 0 407.624 3.538 50 0 HHAARO COc1ccc([C@H](O)[C@@H](C)[NH2+]CC2=Cc3cc(Br)ccc3OC2)cc1 ZINC000095442652 568611050 /nfs/dbraw/zinc/61/10/50/568611050.db2.gz XCOIHEIQXXMCMO-ZUOKHONESA-N 1 0 404.304 3.945 50 0 HHAARO CN1CC[NH+]([C@H]2CCCCN(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)C2)CC1 ZINC000095454965 568616743 /nfs/dbraw/zinc/61/67/43/568616743.db2.gz PJLNSLAJSFHIIL-IBGZPJMESA-N 1 0 420.001 3.574 50 0 HHAARO CC(C)NC(=O)Nc1ccc2c(c1)nc1n2CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000020762158 568642623 /nfs/dbraw/zinc/64/26/23/568642623.db2.gz MWHAEIYCMQZNGZ-RXVVDRJESA-N 1 0 424.593 3.646 50 0 biogenic HHAARO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1NC(=O)C1=CSCCO1 ZINC000021019779 568658093 /nfs/dbraw/zinc/65/80/93/568658093.db2.gz NZNPYBIXDOHCND-KRWDZBQOSA-N 1 0 417.575 3.533 50 0 HHAARO Oc1ccc([C@](O)(Cc2ccccc2)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170157 568676048 /nfs/dbraw/zinc/67/60/48/568676048.db2.gz KUHATIPKCXBPFU-CLJLJLNGSA-N 1 0 403.522 3.939 50 0 HHAARO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095996280 568678700 /nfs/dbraw/zinc/67/87/00/568678700.db2.gz GROSREIMQAXVAN-VQIMIIECSA-N 1 0 405.539 3.652 50 0 HHAARO CC[N@H+](C)Cc1cccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)c1 ZINC000096102426 568691434 /nfs/dbraw/zinc/69/14/34/568691434.db2.gz LLARBGZVTDZMAY-SEYXRHQNSA-N 1 0 419.569 3.707 50 0 HHAARO Cc1nn2c(ncc(C(=O)NCCC[N@H+]3CCC[C@@H](C)C3)c2C)c1-c1ccccc1 ZINC000021537992 568713027 /nfs/dbraw/zinc/71/30/27/568713027.db2.gz HYJQZVZHWJDNDV-QGZVFWFLSA-N 1 0 405.546 3.865 50 0 HHAARO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000229979033 568716272 /nfs/dbraw/zinc/71/62/72/568716272.db2.gz PUNHDKQWQBPEAM-QAPCUYQASA-N 1 0 403.573 3.723 50 0 HHAARO COc1ccccc1N1CC[NH+](C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000239358362 568729030 /nfs/dbraw/zinc/72/90/30/568729030.db2.gz NCPYNQDHIIBZIX-MDAIXWLXSA-N 1 0 404.595 3.656 50 0 HHAARO COc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Br ZINC000025262228 568761090 /nfs/dbraw/zinc/76/10/90/568761090.db2.gz FQVVTGRSFBTTCC-LJQANCHMSA-N 1 0 423.326 3.760 50 0 HHAARO Cn1ncc2c1nc(N1CCC([NH+]3CCCCC3)CC1)nc2NCc1ccc(F)cc1 ZINC000021930029 568761615 /nfs/dbraw/zinc/76/16/15/568761615.db2.gz BNGLJTAUBRVLNB-UHFFFAOYSA-N 1 0 423.540 3.569 50 0 HHAARO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[NH2+][C@@H](CCO)C2CCCCC2)cs1 ZINC000097048967 568767185 /nfs/dbraw/zinc/76/71/85/568767185.db2.gz JRRYZNMSRMZUAA-FQEVSTJZSA-N 1 0 413.587 3.929 50 0 HHAARO CC[C@H](C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1Cc2ccccc2C1=O ZINC000299754340 568782196 /nfs/dbraw/zinc/78/21/96/568782196.db2.gz BGJGYRYEEYYBGW-VOFXCDAESA-N 1 0 411.590 3.780 50 0 HHAARO C[NH2+]CCCNCc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261491721 568820265 /nfs/dbraw/zinc/82/02/65/568820265.db2.gz FNXDOAGSSBVCMQ-UHFFFAOYSA-N 1 0 404.345 3.999 50 0 HHAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000057378670 568830240 /nfs/dbraw/zinc/83/02/40/568830240.db2.gz IFVKGSUVXLKMSV-RBUKOAKNSA-N 1 0 407.558 3.976 50 0 HHAARO CN1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 ZINC000057464147 568838297 /nfs/dbraw/zinc/83/82/97/568838297.db2.gz NHLQGJFFVXWCMB-MEKIYTOJSA-N 1 0 401.441 3.596 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)[NH+]2CCCCC2)cc1 ZINC000030511804 568868330 /nfs/dbraw/zinc/86/83/30/568868330.db2.gz WJLACUOAAIEDDQ-HSZRJFAPSA-N 1 0 404.514 3.838 50 0 HHAARO C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)Oc1cccc(C[N@H+](C)Cc2ccoc2)c1 ZINC000299774290 568874620 /nfs/dbraw/zinc/87/46/20/568874620.db2.gz BOUJPUUIMYBWQU-KRWDZBQOSA-N 1 0 422.529 3.711 50 0 HHAARO CCS(=O)(=O)Nc1cccc(N2CCC([NH2+]Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000299795824 568876348 /nfs/dbraw/zinc/87/63/48/568876348.db2.gz MDBFEOZRWASIEG-UHFFFAOYSA-N 1 0 412.559 3.688 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)C3 ZINC000299799661 568876566 /nfs/dbraw/zinc/87/65/66/568876566.db2.gz UKVJGNBEYZUAMN-INIZCTEOSA-N 1 0 421.570 3.861 50 0 HHAARO COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1 ZINC000058154439 568892954 /nfs/dbraw/zinc/89/29/54/568892954.db2.gz BGVRPJUZXLNPDZ-HSZRJFAPSA-N 1 0 410.562 3.587 50 0 HHAARO C[C@@]1(O)N(CCOC23CC4CC(CC(C4)C2)C3)C(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000004168406 568948067 /nfs/dbraw/zinc/94/80/67/568948067.db2.gz ATDSJDRTYBFROH-QFCGLHBCSA-N 1 0 420.594 3.812 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H](C)[NH2+][C@]12C(=O)Nc1c2cccc1Cl ZINC000059488012 568956571 /nfs/dbraw/zinc/95/65/71/568956571.db2.gz TXDPUOBNDFYVIE-YVKATFEGSA-N 1 0 420.296 3.786 50 0 biogenic HHAARO Fc1ccc(C[N@@H+]2CCCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000012785853 568960041 /nfs/dbraw/zinc/96/00/41/568960041.db2.gz UMBVWJAYICTRRN-UHFFFAOYSA-N 1 0 402.477 3.667 50 0 HHAARO CC(=O)N1CCC(N(CCC[NH+]2CCC(C)CC2)C(=O)Nc2ccccc2C)CC1 ZINC000015679790 568966887 /nfs/dbraw/zinc/96/68/87/568966887.db2.gz JMWBSSAVAIIOJI-UHFFFAOYSA-N 1 0 414.594 3.962 50 0 HHAARO Cc1ccc(-n2ncc(C(=O)NCCC[NH+]3CCCCCC3)c2-n2cccc2)cc1 ZINC000015681272 568968008 /nfs/dbraw/zinc/96/80/08/568968008.db2.gz URKAXUITMSPBIA-UHFFFAOYSA-N 1 0 405.546 3.967 50 0 HHAARO O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000008013064 568968429 /nfs/dbraw/zinc/96/84/29/568968429.db2.gz ZXJBBDXXWFPQAJ-JOCHJYFZSA-N 1 0 420.557 3.843 50 0 HHAARO Cc1noc(C)c1COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000008133838 568976628 /nfs/dbraw/zinc/97/66/28/568976628.db2.gz OSMLZOTVJGXJJO-NRFANRHFSA-N 1 0 405.498 3.875 50 0 HHAARO COC(=O)C1CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000008213128 568982664 /nfs/dbraw/zinc/98/26/64/568982664.db2.gz NGEQJEPUBVEMDW-UHFFFAOYSA-N 1 0 405.498 3.933 50 0 HHAARO COc1cccc([C@H](C[NH2+][C@@H](C)C(=O)N2CCCC2)c2c[nH]c3ccccc32)c1OC ZINC000008323980 568990667 /nfs/dbraw/zinc/99/06/67/568990667.db2.gz HFXROQJCCNMMGU-UWJYYQICSA-N 1 0 421.541 3.918 50 0 HHAARO COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008374043 568995695 /nfs/dbraw/zinc/99/56/95/568995695.db2.gz HLXDNXWBZSUKES-IBGZPJMESA-N 1 0 412.873 3.562 50 0 HHAARO O=C(NC[C@@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)NC1CCCCC1 ZINC000038628413 569003776 /nfs/dbraw/zinc/00/37/76/569003776.db2.gz MZUOQMPONHUFRJ-DEOSSOPVSA-N 1 0 421.589 3.572 50 0 HHAARO Cc1ccc(C[N@@H+]2CCN(Cc3cccn3-c3ccc(Cl)cn3)C[C@H]2CCO)cc1 ZINC000104384300 569008538 /nfs/dbraw/zinc/00/85/38/569008538.db2.gz XOHCTIZHLXLAPZ-JOCHJYFZSA-N 1 0 424.976 3.903 50 0 HHAARO C[NH+]1CCC(N2CCN(Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2CCO)CC1 ZINC000104506707 569008792 /nfs/dbraw/zinc/00/87/92/569008792.db2.gz UZGQSDRJOWTCFF-LJQANCHMSA-N 1 0 417.981 3.563 50 0 HHAARO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012865549 569012147 /nfs/dbraw/zinc/01/21/47/569012147.db2.gz GATPCLBCTFRLKD-AUSIDOKSSA-N 1 0 411.521 3.990 50 0 HHAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC[C@@H](C)[NH+]3CCCCCC3)c2)on1 ZINC000015942769 569024236 /nfs/dbraw/zinc/02/42/36/569024236.db2.gz VGSOSFQDDHOMKW-GOSISDBHSA-N 1 0 405.564 3.891 50 0 HHAARO COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)c1 ZINC000239672630 569054443 /nfs/dbraw/zinc/05/44/43/569054443.db2.gz BUIGRYTWMJQJQY-BXWFABGCSA-N 1 0 418.559 3.531 50 0 HHAARO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000241587825 569054787 /nfs/dbraw/zinc/05/47/87/569054787.db2.gz OXMJVAXFVCTJCV-LRPZHRECSA-N 1 0 409.618 3.914 50 0 HHAARO CCc1n[nH]c(=O)c(C[NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)c1CC ZINC000089282570 569056449 /nfs/dbraw/zinc/05/64/49/569056449.db2.gz JEQTXNANOKTKPT-UHFFFAOYSA-N 1 0 413.953 3.700 50 0 HHAARO C[C@H](C(=O)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)[NH+]1CCCCCC1 ZINC000089448653 569060580 /nfs/dbraw/zinc/06/05/80/569060580.db2.gz PIEZLAUTRCTMJL-QZTJIDSGSA-N 1 0 404.555 3.851 50 0 HHAARO COc1cccc(NC(=O)[C@@H]2Cc3ccccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)c1 ZINC000035870718 569064052 /nfs/dbraw/zinc/06/40/52/569064052.db2.gz BNOFXMNAWAIVGP-ISKFKSNPSA-N 1 0 405.542 3.939 50 0 HHAARO COc1ccc(NC(=O)NCCC[NH+]2CCN(c3ccc(SC)cc3)CC2)cc1 ZINC000005069310 569071707 /nfs/dbraw/zinc/07/17/07/569071707.db2.gz AECYRFYLCGUJJB-UHFFFAOYSA-N 1 0 414.575 3.751 50 0 HHAARO Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000006660167 569084132 /nfs/dbraw/zinc/08/41/32/569084132.db2.gz CFZSQEVKGQDUCF-SFHVURJKSA-N 1 0 420.509 3.650 50 0 biogenic HHAARO COc1cccc([C@H](CNC(=O)Cc2ccc(Br)cc2)[NH+]2CCCC2)c1 ZINC000036074971 569086887 /nfs/dbraw/zinc/08/68/87/569086887.db2.gz WPJYLWNEIXSDIT-FQEVSTJZSA-N 1 0 417.347 3.954 50 0 HHAARO CC1CCN(c2ccc(-c3noc(C(=O)NCC[NH+]4CCCCCC4)n3)cc2)CC1 ZINC000064746430 569088530 /nfs/dbraw/zinc/08/85/30/569088530.db2.gz MYVUWFZXKREATR-UHFFFAOYSA-N 1 0 411.550 3.579 50 0 HHAARO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096038 569090092 /nfs/dbraw/zinc/09/00/92/569090092.db2.gz LZJPQKCSYHUARK-FQEVSTJZSA-N 1 0 419.493 3.549 50 0 HHAARO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C)ccc1C ZINC000036103946 569092390 /nfs/dbraw/zinc/09/23/90/569092390.db2.gz RDYXOTFASOXZCO-OAQYLSRUSA-N 1 0 413.514 3.739 50 0 HHAARO CC[NH+](CC)CC(=O)Nc1c(C(=O)OC)sc2nc(C)c3c(c21)CC(C)(C)OC3 ZINC000006719183 569097765 /nfs/dbraw/zinc/09/77/65/569097765.db2.gz OLNTVVXCSUELEH-UHFFFAOYSA-N 1 0 419.547 3.523 50 0 HHAARO CC(C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12 ZINC000169681568 569127591 /nfs/dbraw/zinc/12/75/91/569127591.db2.gz GJMMNJHLDBUAMN-ICSRJNTNSA-N 1 0 409.496 3.836 50 0 HHAARO Cc1ccccc1Cc1c(C)nc(-c2ccccc2)nc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000036340150 569141459 /nfs/dbraw/zinc/14/14/59/569141459.db2.gz DICVMSDDBSCXQE-HXUWFJFHSA-N 1 0 416.569 3.854 50 0 HHAARO CC1CC[NH+](CC(=O)N2N=C(c3ccccc3F)C[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036341830 569141680 /nfs/dbraw/zinc/14/16/80/569141680.db2.gz OQHGQKUKNJQEQG-OAQYLSRUSA-N 1 0 423.488 3.964 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(C)cc3C)C[C@@H]2c2ccccc2C)CC1 ZINC000036344972 569143052 /nfs/dbraw/zinc/14/30/52/569143052.db2.gz TZAOOWOHRYAEDP-RUZDIDTESA-N 1 0 418.585 3.927 50 0 HHAARO CC1CC[NH+](CCCNC(=O)c2cccc(-c3cc(N4CCCC4)ncn3)c2)CC1 ZINC000064989575 569145957 /nfs/dbraw/zinc/14/59/57/569145957.db2.gz FEPCRIQJTKITLY-UHFFFAOYSA-N 1 0 407.562 3.596 50 0 HHAARO Cc1cccc(-c2cnc(N3CCC(C(=O)NCC[NH+]4CCCCCC4)CC3)nc2)c1 ZINC000065023854 569155204 /nfs/dbraw/zinc/15/52/04/569155204.db2.gz JRYIEUNRDZCOIZ-UHFFFAOYSA-N 1 0 421.589 3.661 50 0 HHAARO CC(=O)N1CCc2cc(-c3ccc(C(=O)NCC[N@H+]4CCCC[C@H]4C)cc3)ccc21 ZINC000065026997 569155851 /nfs/dbraw/zinc/15/58/51/569155851.db2.gz OEYNHAXOTFKXNN-GOSISDBHSA-N 1 0 405.542 3.867 50 0 HHAARO Cc1ccc(C)c(N2N=C(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CCC2=O)c1 ZINC000006864038 569158741 /nfs/dbraw/zinc/15/87/41/569158741.db2.gz RWJGHWDHSWYICQ-UHFFFAOYSA-N 1 0 418.541 3.567 50 0 HHAARO COc1cc(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000006877207 569163753 /nfs/dbraw/zinc/16/37/53/569163753.db2.gz MYDLXSCOBTVXKC-UHFFFAOYSA-N 1 0 405.539 3.688 50 0 HHAARO O=C(Nc1ccc2c(c1)OCCO2)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000006877332 569164029 /nfs/dbraw/zinc/16/40/29/569164029.db2.gz ZVGUZWRBRRJYNP-UHFFFAOYSA-N 1 0 407.514 3.760 50 0 HHAARO CC(=O)N[C@@H](CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000036390481 569165626 /nfs/dbraw/zinc/16/56/26/569165626.db2.gz BXRYPLBFKUNBSK-CYFREDJKSA-N 1 0 407.558 3.802 50 0 HHAARO COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036392126 569167393 /nfs/dbraw/zinc/16/73/93/569167393.db2.gz OALJIVLWVZBTOD-UNMCSNQZSA-N 1 0 413.514 3.571 50 0 HHAARO Cn1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210841 569196187 /nfs/dbraw/zinc/19/61/87/569196187.db2.gz DCONMPRNHGDGSH-UHFFFAOYSA-N 1 0 420.601 3.674 50 0 HHAARO O=C(NCc1ccccc1Cl)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256000 569208300 /nfs/dbraw/zinc/20/83/00/569208300.db2.gz ANFSBJOZFKUWPJ-OAQYLSRUSA-N 1 0 406.917 3.816 50 0 HHAARO CCOc1ccc(NC(=O)c2cccc(N3CC[NH2+][C@H](c4ccccc4)C3)n2)cc1 ZINC000065256303 569208387 /nfs/dbraw/zinc/20/83/87/569208387.db2.gz GJLWQYPXQJJLOD-QFIPXVFZSA-N 1 0 402.498 3.884 50 0 HHAARO C[NH+](C)CCNC(=O)c1cc(-c2ccccc2F)nc2onc(-c3ccccc3)c21 ZINC000036618322 569209910 /nfs/dbraw/zinc/20/99/10/569209910.db2.gz AXXLQJHDFIANFI-UHFFFAOYSA-N 1 0 404.445 3.987 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000065604708 569237193 /nfs/dbraw/zinc/23/71/93/569237193.db2.gz GENMROSVISJXQZ-AUSIDOKSSA-N 1 0 410.537 3.788 50 0 HHAARO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 ZINC000007587833 569283593 /nfs/dbraw/zinc/28/35/93/569283593.db2.gz RUOAGGNHMSYGST-YOEHRIQHSA-N 1 0 407.440 3.879 50 0 HHAARO COC[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000252537340 569293110 /nfs/dbraw/zinc/29/31/10/569293110.db2.gz KYRLKKDTSBXEHV-HKBOAZHASA-N 1 0 408.464 3.618 50 0 HHAARO COc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000007671240 569300080 /nfs/dbraw/zinc/30/00/80/569300080.db2.gz ISFWUPSYHIHQSH-QGZVFWFLSA-N 1 0 418.559 3.977 50 0 HHAARO CC(C)CN1CC[NH+]([C@@H]2CCOC3(CCN(C(=O)CCC4CCCC4)CC3)C2)CC1 ZINC000581819692 569320704 /nfs/dbraw/zinc/32/07/04/569320704.db2.gz CFMJRLRLXUTYIJ-HSZRJFAPSA-N 1 0 419.654 3.771 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)C[NH+]3C[C@H](C)C[C@@H](C)C3)c21 ZINC000002260086 569324956 /nfs/dbraw/zinc/32/49/56/569324956.db2.gz QULKUUWSBDULNO-HUUCEWRRSA-N 1 0 415.534 3.588 50 0 HHAARO COCCn1cc(CCC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2ccccc21 ZINC000253412369 569366560 /nfs/dbraw/zinc/36/65/60/569366560.db2.gz QTRDUETWKJKTES-JTHBVZDNSA-N 1 0 411.590 3.943 50 0 biogenic HHAARO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCC[NH+]2CCCCC2)cc1C ZINC000027550274 569372520 /nfs/dbraw/zinc/37/25/20/569372520.db2.gz FGIPIGSKPCFACZ-PGMHBOJBSA-N 1 0 411.571 3.738 50 0 HHAARO CC(C)(C)OC(=O)N1CCN(CCCOc2ccc(Br)cc2F)CC1 ZINC000230533139 569383723 /nfs/dbraw/zinc/38/37/23/569383723.db2.gz PADAKZUPXAHSHG-UHFFFAOYSA-N 1 0 417.319 3.910 50 0 HHAARO CC(C)Oc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000002417851 569397508 /nfs/dbraw/zinc/39/75/08/569397508.db2.gz IVANQYYXDUESFW-OAQYLSRUSA-N 1 0 406.482 3.687 50 0 HHAARO C[NH+](C)CCCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000012419504 569401088 /nfs/dbraw/zinc/40/10/88/569401088.db2.gz VULTZTDYDVKQHA-UHFFFAOYSA-N 1 0 409.895 3.784 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000002454256 569409525 /nfs/dbraw/zinc/40/95/25/569409525.db2.gz GFFODZUIKWXLQE-GASCZTMLSA-N 1 0 401.507 3.660 50 0 HHAARO COc1ccc(NC(=O)NCC2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000013363929 569412122 /nfs/dbraw/zinc/41/21/22/569412122.db2.gz DZSGOYZCTMELLV-UHFFFAOYSA-N 1 0 401.482 3.877 50 0 HHAARO O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC(=O)C1CC[NH2+]CC1 ZINC000013369451 569412627 /nfs/dbraw/zinc/41/26/27/569412627.db2.gz XJUKGFBPZKUCRZ-UHFFFAOYSA-N 1 0 424.932 3.779 50 0 HHAARO COc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008549480 571077897 /nfs/dbraw/zinc/07/78/97/571077897.db2.gz KFNSIXGYIONWMI-NRFANRHFSA-N 1 0 406.482 3.525 50 0 HHAARO COc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CC[NH+](C)C)c1 ZINC000008549535 571077932 /nfs/dbraw/zinc/07/79/32/571077932.db2.gz SOKWOKBIQRIPEU-OAQYLSRUSA-N 1 0 406.482 3.525 50 0 HHAARO Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc12 ZINC000427586291 571131827 /nfs/dbraw/zinc/13/18/27/571131827.db2.gz CWGFCDROYMSBTK-SJKOYZFVSA-N 1 0 402.951 3.836 50 0 HHAARO COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008893075 571142648 /nfs/dbraw/zinc/14/26/48/571142648.db2.gz OWKKQROSBHJZEX-LJQANCHMSA-N 1 0 415.559 3.737 50 0 HHAARO O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccsc1)[NH+]1CCCCCC1 ZINC000008892877 571142844 /nfs/dbraw/zinc/14/28/44/571142844.db2.gz RQZSBVWIXSNQNZ-IBGZPJMESA-N 1 0 419.978 3.751 50 0 HHAARO CC1CC[NH+](CCCCNC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000040151780 571199614 /nfs/dbraw/zinc/19/96/14/571199614.db2.gz DXXQPTUFEXRBHX-BGYRXZFFSA-N 1 0 402.583 3.934 50 0 HHAARO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)c1ccc(Br)cc1 ZINC000069352133 571222905 /nfs/dbraw/zinc/22/29/05/571222905.db2.gz MXIACQKIYDHCLK-MAUKXSAKSA-N 1 0 402.336 3.934 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000009125189 571226251 /nfs/dbraw/zinc/22/62/51/571226251.db2.gz HUQNNOQVRIMRKT-UHFFFAOYSA-N 1 0 424.364 3.835 50 0 HHAARO CC[C@@H](C)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2cccc(F)c2)C3)c1C ZINC000069656418 571236965 /nfs/dbraw/zinc/23/69/65/571236965.db2.gz GWMBZVPGFRLXLJ-MRXNPFEDSA-N 1 0 421.520 3.801 50 0 HHAARO CCc1nc2ccccc2n1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000009378342 571253342 /nfs/dbraw/zinc/25/33/42/571253342.db2.gz TVGHWPHTXUYGTA-QHCPKHFHSA-N 1 0 420.557 3.951 50 0 HHAARO O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000009711179 571281146 /nfs/dbraw/zinc/28/11/46/571281146.db2.gz CNFDUWGLDBTIHZ-UHFFFAOYSA-N 1 0 402.502 3.913 50 0 HHAARO COc1ccccc1[C@H]1c2c(oc3cc(C)c(C)cc3c2=O)C(=O)N1CCC[NH+](C)C ZINC000010233147 571297584 /nfs/dbraw/zinc/29/75/84/571297584.db2.gz VNMKBORTAQFCER-QFIPXVFZSA-N 1 0 420.509 3.915 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc2ccccc21 ZINC000010333773 571300707 /nfs/dbraw/zinc/30/07/07/571300707.db2.gz YRKNOWPNBXUQSV-OAQYLSRUSA-N 1 0 409.917 3.529 50 0 HHAARO COc1ccc(-c2cc(C(=O)N3CCC[C@H]([N@H+](C)Cc4ccccc4)C3)[nH]n2)cc1 ZINC000011664410 962158510 /nfs/dbraw/zinc/15/85/10/962158510.db2.gz YJRDDGGLZWNEDX-FQEVSTJZSA-N 1 0 404.514 3.822 50 0 HHAARO C[C@]1(C2CC[NH+](Cc3ccc(F)cc3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000011784125 962189285 /nfs/dbraw/zinc/18/92/85/962189285.db2.gz GUPZVOWIGFAOHJ-OAQYLSRUSA-N 1 0 401.507 3.610 50 0 HHAARO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(-n3cccn3)cc2)c1 ZINC000011784293 962190969 /nfs/dbraw/zinc/19/09/69/962190969.db2.gz RTLVOUNNBKKESA-OAQYLSRUSA-N 1 0 404.514 3.552 50 0 HHAARO CC(C)(CO)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)C1 ZINC000011818840 962197683 /nfs/dbraw/zinc/19/76/83/962197683.db2.gz CULLEFBPLKGCDO-GOSISDBHSA-N 1 0 406.530 3.899 50 0 HHAARO COc1cccc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c1OC ZINC000011815585 962197730 /nfs/dbraw/zinc/19/77/30/962197730.db2.gz HXTSTXIRLUJHFJ-SFHVURJKSA-N 1 0 414.521 3.870 50 0 HHAARO Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011957546 962216031 /nfs/dbraw/zinc/21/60/31/962216031.db2.gz FZJTVXAOSZNAMM-QHCPKHFHSA-N 1 0 410.606 3.949 50 0 HHAARO CN(C(=O)c1ccn(C)n1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2ccoc2)CC1 ZINC000011971782 962217730 /nfs/dbraw/zinc/21/77/30/962217730.db2.gz GLDIOTVSTBTAKC-HSZRJFAPSA-N 1 0 406.530 3.609 50 0 HHAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@](CCc3ccccc3)(C(=O)OCC)C2)CC1 ZINC000012001074 962221086 /nfs/dbraw/zinc/22/10/86/962221086.db2.gz FQEDZEOLDOHLJN-XMMPIXPASA-N 1 0 416.562 3.885 50 0 HHAARO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000012029014 962224583 /nfs/dbraw/zinc/22/45/83/962224583.db2.gz VUJMDMBPORWEKL-HXUWFJFHSA-N 1 0 402.498 3.658 50 0 HHAARO COCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)c(F)c2)C3)o1 ZINC000012054827 962230094 /nfs/dbraw/zinc/23/00/94/962230094.db2.gz WFYLTHKFLRXRSB-QFIPXVFZSA-N 1 0 404.457 3.833 50 0 HHAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@H]2C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000012132778 962245238 /nfs/dbraw/zinc/24/52/38/962245238.db2.gz VMMQYYHLWDWPNO-INIZCTEOSA-N 1 0 424.526 3.674 50 0 HHAARO CCn1cc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(OC)c2OC)C3)c(C)n1 ZINC000012193957 962250710 /nfs/dbraw/zinc/25/07/10/962250710.db2.gz LJQTYFXQVVPKMW-XMMPIXPASA-N 1 0 412.578 3.717 50 0 HHAARO CC(C)CC[C@@]1(C2CC[NH+](Cc3ccc(OC(C)C)cc3)CC2)NC(=O)NC1=O ZINC000012209583 962253272 /nfs/dbraw/zinc/25/32/72/962253272.db2.gz FAFBKSGJHLLEPC-QHCPKHFHSA-N 1 0 401.551 3.700 50 0 HHAARO Cc1ccccc1-c1cccc(C[NH+]2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)c1 ZINC000012218227 962255746 /nfs/dbraw/zinc/25/57/46/962255746.db2.gz HBVUZHMHUYODBU-UHFFFAOYSA-N 1 0 415.541 3.983 50 0 HHAARO Cc1ccc(C[NH+]2CCC(n3nccc3NC(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000012386252 962273849 /nfs/dbraw/zinc/27/38/49/962273849.db2.gz UJUYOGCZQSQKNJ-UHFFFAOYSA-N 1 0 408.458 3.603 50 0 HHAARO O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)C1([NH+]2CCCC2)CCCC1 ZINC000012387676 962274095 /nfs/dbraw/zinc/27/40/95/962274095.db2.gz ZPQVSJOYNOMZIT-KRWDZBQOSA-N 1 0 410.484 3.594 50 0 HHAARO CCc1nc(C)c(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(OC)c2OC)C3)[nH]1 ZINC000012440644 962280831 /nfs/dbraw/zinc/28/08/31/962280831.db2.gz ABJDURDDKUAGKB-XMMPIXPASA-N 1 0 412.578 3.786 50 0 HHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000012586114 962297877 /nfs/dbraw/zinc/29/78/77/962297877.db2.gz NEIBHJYLNUATAX-UHFFFAOYSA-N 1 0 404.576 3.670 50 0 HHAARO Cc1ccc(F)cc1C[NH2+][C@@H]1CCc2c(c(C(=O)N(C)C)nn2Cc2ccccc2)C1 ZINC000014742622 962566343 /nfs/dbraw/zinc/56/63/43/962566343.db2.gz UONFGFVQEGDEDG-OAQYLSRUSA-N 1 0 420.532 3.728 50 0 HHAARO Cc1cc(C)cc(CNC(=O)[C@@H]2C[C@H](C[NH+]3CCCC3)CN(Cc3ccncc3)C2)c1 ZINC000014740581 962566775 /nfs/dbraw/zinc/56/67/75/962566775.db2.gz ZQUPTMHPNICUIH-JWQCQUIFSA-N 1 0 420.601 3.549 50 0 HHAARO CCCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cnc3ccccc3c1)C2 ZINC000014750881 962567879 /nfs/dbraw/zinc/56/78/79/962567879.db2.gz ICXURLNZJVHIRF-HXUWFJFHSA-N 1 0 417.557 3.724 50 0 HHAARO Cc1ccsc1C[NH+]1CCC([C@@]2(C)NC(=O)N(C3Cc4ccccc4C3)C2=O)CC1 ZINC000014888278 962599173 /nfs/dbraw/zinc/59/91/73/962599173.db2.gz WUQKOJUJTIPNCN-XMMPIXPASA-N 1 0 423.582 3.746 50 0 HHAARO COc1ccc(CC[N@H+](C)[C@H]2CCC(=O)N(Cc3ccccc3F)CC2)cc1OC ZINC000014955484 962612514 /nfs/dbraw/zinc/61/25/14/962612514.db2.gz JFXOAQYMPNMJFX-FQEVSTJZSA-N 1 0 414.521 3.899 50 0 HHAARO CN(C)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)o1 ZINC000014956193 962612874 /nfs/dbraw/zinc/61/28/74/962612874.db2.gz AHAGAIAJXBNOIX-RUZDIDTESA-N 1 0 409.574 3.902 50 0 HHAARO CCOc1ccc2nc(N3CCC[C@@H]([NH2+]Cc4cnn(CC)c4)CC3)nc(C)c2c1 ZINC000014953634 962613310 /nfs/dbraw/zinc/61/33/10/962613310.db2.gz XSMOMBTZJUNJTL-LJQANCHMSA-N 1 0 408.550 3.702 50 0 HHAARO COCCN(Cc1c(C)nn(C)c1Cl)CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000015066024 962645692 /nfs/dbraw/zinc/64/56/92/962645692.db2.gz DPVRMZRYFLIIKM-UHFFFAOYSA-N 1 0 422.976 3.882 50 0 HHAARO CCn1nc(C)c(CN2CCC[C@@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1C ZINC000020449930 963388845 /nfs/dbraw/zinc/38/88/45/963388845.db2.gz IHINCUYZCFOQIB-OAQYLSRUSA-N 1 0 414.594 3.676 50 0 HHAARO COc1ccc(OC)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000020999620 963410272 /nfs/dbraw/zinc/41/02/72/963410272.db2.gz DMWQTOFPDDILDK-HMHJJOSWSA-N 1 0 422.525 3.650 50 0 HHAARO Fc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4ccc5nsnc5c4)C3)CC2)cc1 ZINC000022912922 963738250 /nfs/dbraw/zinc/73/82/50/963738250.db2.gz VNEUDZZNNUUXDR-HXUWFJFHSA-N 1 0 411.550 3.617 50 0 HHAARO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](C2CSCCSC2)C1 ZINC000055271577 965800951 /nfs/dbraw/zinc/80/09/51/965800951.db2.gz RHDAHQGRKIMVQA-OAQYLSRUSA-N 1 0 409.617 3.732 50 0 HHAARO Cn1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)c(-c2ccccc2)n1 ZINC000039532074 966497307 /nfs/dbraw/zinc/49/73/07/966497307.db2.gz ILHKSUJDCQOOLT-NRFANRHFSA-N 1 0 404.514 3.935 50 0 HHAARO Cc1cccc(-c2ncc(CN3CC[N@H+](CC4CCCCC4)[C@H](CCO)C3)cn2)c1 ZINC000039532082 966497656 /nfs/dbraw/zinc/49/76/56/966497656.db2.gz QXTPQLJPPBBABF-XMMPIXPASA-N 1 0 408.590 3.901 50 0 HHAARO Cn1cnnc1Sc1ccc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)o1 ZINC000096794704 969051764 /nfs/dbraw/zinc/05/17/64/969051764.db2.gz NRQOPZXNHZMNBV-QGZVFWFLSA-N 1 0 415.538 3.795 50 0 HHAARO Cc1oc2c(c1C(=O)N(C)CCc1ccccn1)CN(Cc1cccc(F)c1)CC2 ZINC000104917915 969212059 /nfs/dbraw/zinc/21/20/59/969212059.db2.gz KTAGQZUZXQPFSJ-UHFFFAOYSA-N 1 0 407.489 3.995 50 0 HHAARO O=C(/C=C\c1ccc(OC(F)F)cc1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000222285631 970101604 /nfs/dbraw/zinc/10/16/04/970101604.db2.gz IGRNSXPILTUZPA-FNUUXAGOSA-N 1 0 416.468 3.574 50 0 HHAARO CCn1nccc1C(=O)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776629 970478119 /nfs/dbraw/zinc/47/81/19/970478119.db2.gz SHEOSRANCYTKFH-JOCHJYFZSA-N 1 0 422.573 3.721 50 0 HHAARO CCn1ccc(C(=O)N2CCC3(CC2)C[C@H]([N@H+](Cc2ccccc2)C2CC2)CCO3)n1 ZINC000169776631 970478538 /nfs/dbraw/zinc/47/85/38/970478538.db2.gz ODUBXQNBKFWCOI-JOCHJYFZSA-N 1 0 422.573 3.721 50 0 HHAARO O=C(C1CCOCC1)N1CCC2(CC1)C[C@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169779210 970479870 /nfs/dbraw/zinc/47/98/70/970479870.db2.gz NCBLUFGGQRHQFH-HSZRJFAPSA-N 1 0 412.574 3.618 50 0 HHAARO COCCCNC(=O)N1CCC([N@@H+]2CC3(CCCCC3)[C@@H]2c2ccncc2)CC1 ZINC000169786995 970481561 /nfs/dbraw/zinc/48/15/61/970481561.db2.gz JCKZTJQAKPIWLE-NRFANRHFSA-N 1 0 400.567 3.599 50 0 HHAARO CCOc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](Cc1nc(COC)no1)CCO2 ZINC000169787354 970481826 /nfs/dbraw/zinc/48/18/26/970481826.db2.gz BEEJQDHXOQCMJR-GOSISDBHSA-N 1 0 415.534 3.619 50 0 HHAARO O=C(NC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC12CCOCC2)N1CCCC1 ZINC000257176138 970617710 /nfs/dbraw/zinc/61/77/10/970617710.db2.gz RWRWXZHVDDUFCW-QGZVFWFLSA-N 1 0 409.933 3.513 50 0 HHAARO Cc1c[nH+]c(CC2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1CC1CC1 ZINC000257187360 970622744 /nfs/dbraw/zinc/62/27/44/970622744.db2.gz ATOVVOOJUUBUTF-UHFFFAOYSA-N 1 0 413.587 3.734 50 0 HHAARO COc1ccc(OC)c(-c2n[nH]cc2CN2CC(F)(F)C[C@H]2C[NH+]2CCCCC2)c1 ZINC000257189323 970623449 /nfs/dbraw/zinc/62/34/49/970623449.db2.gz IINOWZFREGPGKB-KRWDZBQOSA-N 1 0 420.504 3.789 50 0 HHAARO C[NH+]1CCC(O)(c2ccc3c(c2)CN(Cc2ccc(F)cc2Cl)CCO3)CC1 ZINC000299756493 970721149 /nfs/dbraw/zinc/72/11/49/970721149.db2.gz FZVLTFKFKQGTAZ-UHFFFAOYSA-N 1 0 404.913 3.787 50 0 HHAARO COc1cc(C(=O)N[C@H]2CC[C@H](O)CC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000299872940 970724717 /nfs/dbraw/zinc/72/47/17/970724717.db2.gz OZDURRICBRPXGZ-KESTWPANSA-N 1 0 416.562 3.514 50 0 HHAARO O=C(c1ccccn1)N1CCC2(CC1)C[C@@H]([N@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169748762 1075688540 /nfs/dbraw/zinc/68/85/40/1075688540.db2.gz BGDOAFUTRSDFKH-QFIPXVFZSA-N 1 0 405.542 3.900 50 0 HHAARO COc1ccccc1N1CC[NH+](CCCCOc2c(OC)cccc2OC)CC1 ZINC000004003967 132269510 /nfs/dbraw/zinc/26/95/10/132269510.db2.gz ZOJJVSZFIYSTHC-UHFFFAOYSA-N 1 0 400.519 3.694 50 0 HHAARO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000004325200 132275388 /nfs/dbraw/zinc/27/53/88/132275388.db2.gz IKHCYRGAOCNKQJ-UHFFFAOYSA-N 1 0 400.841 3.800 50 0 HHAARO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000008188957 132328376 /nfs/dbraw/zinc/32/83/76/132328376.db2.gz AFMBLIKULRZCCH-GOSISDBHSA-N 1 0 419.566 3.524 50 0 HHAARO Cc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1C ZINC000011697975 132349990 /nfs/dbraw/zinc/34/99/90/132349990.db2.gz BRVJCRSIBKEUDN-UHFFFAOYSA-N 1 0 403.490 3.586 50 0 HHAARO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc(C(=O)NC3CCCC3)cc2)CC1 ZINC000011911041 132352236 /nfs/dbraw/zinc/35/22/36/132352236.db2.gz VDIKRMWWARNSPX-KRWDZBQOSA-N 1 0 409.578 3.721 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000012508569 132361162 /nfs/dbraw/zinc/36/11/62/132361162.db2.gz WXWSZVHMPFKAFW-UHFFFAOYSA-N 1 0 414.358 3.936 50 0 HHAARO C[NH+]1CCN(c2ccccc2NC(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 ZINC000015356528 132461496 /nfs/dbraw/zinc/46/14/96/132461496.db2.gz PVGSYTMBJXIOOY-UHFFFAOYSA-N 1 0 410.518 3.882 50 0 HHAARO COc1cccc(Nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021928428 132474022 /nfs/dbraw/zinc/47/40/22/132474022.db2.gz HOXMLTLLJOTZQT-UHFFFAOYSA-N 1 0 421.549 3.570 50 0 HHAARO CCOc1cc(/C=C/C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)ccc1OC ZINC000040162201 520618941 /nfs/dbraw/zinc/61/89/41/520618941.db2.gz LZDLMANBVUCURT-ACCUITESSA-N 1 0 409.530 3.888 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000043193443 520863661 /nfs/dbraw/zinc/86/36/61/520863661.db2.gz KXBIJYCEIHVHSR-HXUWFJFHSA-N 1 0 402.564 3.789 50 0 HHAARO CC1CC[NH+]([C@@H](CNC(=O)Cn2ccc(C(F)(F)F)n2)c2cccs2)CC1 ZINC000041299863 521035212 /nfs/dbraw/zinc/03/52/12/521035212.db2.gz UHSUNESZNDCTSU-AWEZNQCLSA-N 1 0 400.470 3.553 50 0 HHAARO COC(=O)c1ccc(C[N@H+](Cc2ccc(C(=O)NCC(F)(F)F)cc2)C2CC2)cc1 ZINC000029699765 522003015 /nfs/dbraw/zinc/00/30/15/522003015.db2.gz MKDABAUQMVCFIY-UHFFFAOYSA-N 1 0 420.431 3.930 50 0 HHAARO CC(C)(C)C[NH+]1CCN(c2cccc3c2C(=O)N(CCc2cccc(F)c2)C3=O)CC1 ZINC000012245897 534606211 /nfs/dbraw/zinc/60/62/11/534606211.db2.gz NZFQMHJABNRZBA-UHFFFAOYSA-N 1 0 423.532 3.833 50 0 HHAARO C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@@H]1CCc2ccccc21 ZINC000029482772 522506638 /nfs/dbraw/zinc/50/66/38/522506638.db2.gz GMETYCXIABXAKD-QGZVFWFLSA-N 1 0 406.267 3.849 50 0 HHAARO C[NH+](C)C1(CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)CCCCC1 ZINC000042232820 524037267 /nfs/dbraw/zinc/03/72/67/524037267.db2.gz BPLFZKRFQKEHKT-UHFFFAOYSA-N 1 0 414.571 3.655 50 0 HHAARO Cc1cc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)ccc1N1CC[NH+](C)CC1 ZINC000032882294 525100923 /nfs/dbraw/zinc/10/09/23/525100923.db2.gz IWIGOQFDCAPEDE-KPKJPENVSA-N 1 0 418.541 3.526 50 0 HHAARO Cc1c(C)n(CCC[NH+]2CCOCC2)c2ncn3nc(-c4ccccc4Cl)nc3c12 ZINC000020588488 525684061 /nfs/dbraw/zinc/68/40/61/525684061.db2.gz WHUHYSGQMPOIEE-UHFFFAOYSA-N 1 0 424.936 3.739 50 0 HHAARO Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCC[NH+]4CCCC4)cc3)n2)cc1 ZINC000032579066 525870091 /nfs/dbraw/zinc/87/00/91/525870091.db2.gz SQANOJBUFGIHNO-UHFFFAOYSA-N 1 0 420.513 3.693 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2)n1 ZINC000040355640 526249569 /nfs/dbraw/zinc/24/95/69/526249569.db2.gz MIYPSGTVRLEPST-ZDUSSCGKSA-N 1 0 422.501 3.668 50 0 HHAARO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CNC(=O)c1ccccc1Cl ZINC000032930749 526251796 /nfs/dbraw/zinc/25/17/96/526251796.db2.gz WIWOWBWOIGCIAR-KRWDZBQOSA-N 1 0 413.949 3.761 50 0 HHAARO O=C(c1nc2ccc(Cl)cn2c1C[NH2+]C[C@H]1CCCO1)N1CCCCCCC1 ZINC000020167109 526918173 /nfs/dbraw/zinc/91/81/73/526918173.db2.gz OEPLESHKVNLZHD-QGZVFWFLSA-N 1 0 404.942 3.663 50 0 HHAARO O=C(NC1CC1)c1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc2ccccc21 ZINC000032853557 527494219 /nfs/dbraw/zinc/49/42/19/527494219.db2.gz UWWOSFCQAVQQCQ-UHFFFAOYSA-N 1 0 400.526 3.839 50 0 HHAARO CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000004543798 535715664 /nfs/dbraw/zinc/71/56/64/535715664.db2.gz WCDCWOPXWWVJBQ-UHFFFAOYSA-N 1 0 420.513 3.916 50 0 HHAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000004869680 537068531 /nfs/dbraw/zinc/06/85/31/537068531.db2.gz IYDMGZQYYTYKAO-UHFFFAOYSA-N 1 0 413.949 3.775 50 0 HHAARO COc1cc(C[NH2+]CCCN2CCOCC2)ccc1OCc1cccc(Cl)c1 ZINC000005019806 557626614 /nfs/dbraw/zinc/62/66/14/557626614.db2.gz YFNVYZPEQYHJLT-UHFFFAOYSA-N 1 0 404.938 3.740 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000006767744 557720579 /nfs/dbraw/zinc/72/05/79/557720579.db2.gz IVEYAOZRNCFLTG-UHFFFAOYSA-N 1 0 403.939 3.715 50 0 HHAARO Cc1cc(=O)n2c(n1)NC(N1CCC(Cc3ccccc3)CC1)=[NH+][C@H]2c1ccccc1 ZINC000009287511 557834275 /nfs/dbraw/zinc/83/42/75/557834275.db2.gz XGFDOSCJZDUNBE-HSZRJFAPSA-N 1 0 413.525 3.835 50 0 HHAARO C[NH+]1CCC(N2CCN(Cc3ccc(-c4cccc(Cl)c4)o3)C[C@@H]2CCO)CC1 ZINC000019740641 558261602 /nfs/dbraw/zinc/26/16/02/558261602.db2.gz IQZPLNCCQZCVQM-NRFANRHFSA-N 1 0 417.981 3.563 50 0 HHAARO Cc1nccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011663393 558267016 /nfs/dbraw/zinc/26/70/16/558267016.db2.gz QIJPFQJNRMLCJF-SFHVURJKSA-N 1 0 416.485 3.568 50 0 HHAARO Cn1cc(C[NH2+]CCSc2c[nH]nn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000011664204 558267818 /nfs/dbraw/zinc/26/78/18/558267818.db2.gz UDCNLVGTEJNYDE-UHFFFAOYSA-N 1 0 406.515 3.879 50 0 HHAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C)c(C)[nH]c1=O ZINC000011719703 558271977 /nfs/dbraw/zinc/27/19/77/558271977.db2.gz RUNLLPALOFGWTQ-HXUWFJFHSA-N 1 0 413.537 3.548 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)[C@H]1CC12CCC2 ZINC000011718212 558272100 /nfs/dbraw/zinc/27/21/00/558272100.db2.gz HNWTXLHBXNUEPS-OAQYLSRUSA-N 1 0 400.563 3.572 50 0 HHAARO COc1ccccc1-c1ncc(C[NH2+][C@H]2CCCN(C3Cc4ccccc4C3)C2)cn1 ZINC000019794924 558284375 /nfs/dbraw/zinc/28/43/75/558284375.db2.gz DDXALEVLCLWZBL-QFIPXVFZSA-N 1 0 414.553 3.874 50 0 HHAARO FC(F)(F)c1cccc(N2CC[NH+]([C@H]3CCCN(Cc4cccnc4)C3)CC2)c1 ZINC000019798623 558284740 /nfs/dbraw/zinc/28/47/40/558284740.db2.gz MORMPUYFYCRRMZ-NRFANRHFSA-N 1 0 404.480 3.887 50 0 HHAARO CO[C@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2cccc(O)c2)CC1)c1ccccc1 ZINC000011873229 558290991 /nfs/dbraw/zinc/29/09/91/558290991.db2.gz NJLGVOTYHPRQJT-QHCPKHFHSA-N 1 0 420.513 3.752 50 0 HHAARO CCn1ncc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3cc(OC)cc(OC)c3)C2)c1C ZINC000011878311 558292726 /nfs/dbraw/zinc/29/27/26/558292726.db2.gz BMTZNCBUAYSUOA-GOSISDBHSA-N 1 0 414.550 3.860 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)Cc4ccccc4)C3)C2)c1OC ZINC000011879493 558294299 /nfs/dbraw/zinc/29/42/99/558294299.db2.gz LLGFYAVIOQSWRY-VWLOTQADSA-N 1 0 408.542 3.761 50 0 HHAARO c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)n(-c2cccnc2)c1 ZINC000019850327 558295452 /nfs/dbraw/zinc/29/54/52/558295452.db2.gz MEVNRZDQSGVIQU-XMMPIXPASA-N 1 0 401.558 3.659 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1cc(-c2cccn2C)n[nH]1 ZINC000011935262 558299477 /nfs/dbraw/zinc/29/94/77/558299477.db2.gz RITRWMFZXDBKJR-UHFFFAOYSA-N 1 0 423.536 3.581 50 0 HHAARO CN(C[C@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)C(=O)CCc1ccccc1 ZINC000012004189 558308707 /nfs/dbraw/zinc/30/87/07/558308707.db2.gz JKWJECJZNUUZCQ-OAQYLSRUSA-N 1 0 410.533 3.741 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](C3CSCCSC3)CC2)cc1)N1CCCC1 ZINC000012005428 558309238 /nfs/dbraw/zinc/30/92/38/558309238.db2.gz HSNFGTYNMQSIBU-UHFFFAOYSA-N 1 0 406.617 3.614 50 0 HHAARO CC(C)Cc1ccc(C[NH+]2CCC3(CC[C@H](CNC(=O)c4ccnn4C)O3)CC2)cc1 ZINC000012041677 558313084 /nfs/dbraw/zinc/31/30/84/558313084.db2.gz ZEZMMYIKNQHIBA-JOCHJYFZSA-N 1 0 424.589 3.562 50 0 HHAARO COC[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012074208 558318967 /nfs/dbraw/zinc/31/89/67/558318967.db2.gz NYLCWZPUVBALBO-LJQANCHMSA-N 1 0 405.498 3.795 50 0 HHAARO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)c1 ZINC000012074079 558318973 /nfs/dbraw/zinc/31/89/73/558318973.db2.gz XUDIKEJMTAXSHT-NRFANRHFSA-N 1 0 402.498 3.926 50 0 HHAARO O[C@H](COc1ccccc1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020294435 558354204 /nfs/dbraw/zinc/35/42/04/558354204.db2.gz MIEQTGGXHMZWBB-DEOSSOPVSA-N 1 0 402.538 3.834 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2F)CC1)C(=O)c1sc(C)nc1C ZINC000012228674 558357614 /nfs/dbraw/zinc/35/76/14/558357614.db2.gz AAOVAHFUDMSCQA-UHFFFAOYSA-N 1 0 419.566 3.900 50 0 HHAARO O=C1CC[C@H](CC[NH2+]Cc2cc3c(cc2Cl)OCO3)N1CCCc1ccncc1 ZINC000012246944 558362004 /nfs/dbraw/zinc/36/20/04/558362004.db2.gz URVPQDOWKBGPAF-GOSISDBHSA-N 1 0 415.921 3.567 50 0 HHAARO O=C(c1ccco1)N1CCC[C@@H](COc2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000012283185 558365377 /nfs/dbraw/zinc/36/53/77/558365377.db2.gz ZRYYZRYBBUKQTH-LJQANCHMSA-N 1 0 400.544 3.760 50 0 HHAARO O=C(c1ccccc1OC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1)N1CCCC1 ZINC000012304063 558373306 /nfs/dbraw/zinc/37/33/06/558373306.db2.gz JTZJOXZATSSKAT-UHFFFAOYSA-N 1 0 422.525 3.737 50 0 HHAARO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316341 558379655 /nfs/dbraw/zinc/37/96/55/558379655.db2.gz VGONXDGCNFVQQS-KRWDZBQOSA-N 1 0 408.550 3.552 50 0 HHAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1)NC[C@H]1CCCO1 ZINC000012317816 558381103 /nfs/dbraw/zinc/38/11/03/558381103.db2.gz KFLYPUBPHRNOQA-OAQYLSRUSA-N 1 0 414.525 3.503 50 0 HHAARO O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccn3-c3ccccn3)[N@@H+]3CCC[C@@]123 ZINC000012318218 558381425 /nfs/dbraw/zinc/38/14/25/558381425.db2.gz UDOVUVSNSCAONF-KJOQGJGQSA-N 1 0 412.537 3.853 50 0 HHAARO COc1ccc(CCC(=O)N(C)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000012439069 558410594 /nfs/dbraw/zinc/41/05/94/558410594.db2.gz SLLDGWIEDGBANQ-JOCHJYFZSA-N 1 0 410.558 3.802 50 0 HHAARO COc1cc(C(=O)N[C@@H](C)Cn2ccc3ccccc32)ccc1OC1CC[NH+](C)CC1 ZINC000012442533 558412630 /nfs/dbraw/zinc/41/26/30/558412630.db2.gz JPYIFXKJMQGGMT-SFHVURJKSA-N 1 0 421.541 3.941 50 0 HHAARO CN(C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1)C(=O)c1ccc2c(c1)OCCO2 ZINC000012443196 558412975 /nfs/dbraw/zinc/41/29/75/558412975.db2.gz UWTBLEWZRVVWBZ-SFHVURJKSA-N 1 0 412.505 3.624 50 0 HHAARO COC(=O)c1ccccc1C(=O)N(C)CC1CC[NH+](CCc2ccccc2F)CC1 ZINC000012456886 558417476 /nfs/dbraw/zinc/41/74/76/558417476.db2.gz SIHVQVMAUPVIEH-UHFFFAOYSA-N 1 0 412.505 3.639 50 0 HHAARO COc1ccc(C(=O)N2CCCC2)c(OC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000012468198 558421011 /nfs/dbraw/zinc/42/10/11/558421011.db2.gz GUOIHZVVPLWCNS-UHFFFAOYSA-N 1 0 420.553 3.942 50 0 HHAARO COc1cc(OC)c(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)c(OC)c1 ZINC000012471760 558422045 /nfs/dbraw/zinc/42/20/45/558422045.db2.gz IEOQQEYUAGXHTN-UHFFFAOYSA-N 1 0 415.530 3.756 50 0 HHAARO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000020945328 558424868 /nfs/dbraw/zinc/42/48/68/558424868.db2.gz CVLJZVDDMQCKPQ-IBGZPJMESA-N 1 0 419.905 3.899 50 0 HHAARO COc1ccc(-c2n[nH]cc2CN2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cc1F ZINC000020999086 558427757 /nfs/dbraw/zinc/42/77/57/558427757.db2.gz KHWAWUHSFXSGSX-JOCHJYFZSA-N 1 0 420.532 3.900 50 0 HHAARO COc1ccc(-c2n[nH]cc2CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cc1F ZINC000020999087 558427897 /nfs/dbraw/zinc/42/78/97/558427897.db2.gz KHWAWUHSFXSGSX-QFIPXVFZSA-N 1 0 420.532 3.900 50 0 HHAARO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CCC(=O)NCc2ccc(F)c(F)c2)C1 ZINC000012590574 558435514 /nfs/dbraw/zinc/43/55/14/558435514.db2.gz NNTAIFPQXMBXNX-OAHLLOKOSA-N 1 0 424.923 3.969 50 0 HHAARO COc1ccc(OC)c(C[NH+]2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)c1 ZINC000012595932 558437668 /nfs/dbraw/zinc/43/76/68/558437668.db2.gz PXGCTYKUXZKELN-UHFFFAOYSA-N 1 0 400.523 3.722 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cn(C/C=C/c2ccccc2)nn1 ZINC000012705380 558449499 /nfs/dbraw/zinc/44/94/99/558449499.db2.gz DNSCXIHZBJSGPH-MURVUTHMSA-N 1 0 415.541 3.949 50 0 HHAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3cccc(-c4nnc(C)s4)c3)CC2)c(C)n1 ZINC000012707150 558450338 /nfs/dbraw/zinc/45/03/38/558450338.db2.gz SNNAHEVJRWABEC-UHFFFAOYSA-N 1 0 424.574 3.889 50 0 HHAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)[C@H]3COc4ccccc4O3)sc2c1 ZINC000004359551 558456655 /nfs/dbraw/zinc/45/66/55/558456655.db2.gz WDHRVDFWVVWJEM-LJQANCHMSA-N 1 0 411.527 3.729 50 0 HHAARO COc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccc(O)cc4)CC3)cc2)cc1 ZINC000022010238 558457522 /nfs/dbraw/zinc/45/75/22/558457522.db2.gz ULQZAQRCBAWLJD-UHFFFAOYSA-N 1 0 417.509 3.975 50 0 HHAARO COCCN(Cc1cccc2c1OCO2)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012747809 558458625 /nfs/dbraw/zinc/45/86/25/558458625.db2.gz URWOTCHWTXYHFU-FQEVSTJZSA-N 1 0 422.569 3.743 50 0 HHAARO CN(CCCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012748350 558458699 /nfs/dbraw/zinc/45/86/99/558458699.db2.gz AIDCLBUYYQXFAX-OAQYLSRUSA-N 1 0 403.611 3.528 50 0 HHAARO CN(C(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012751130 558459017 /nfs/dbraw/zinc/45/90/17/558459017.db2.gz HIDSCOUMHCWCJC-DEOSSOPVSA-N 1 0 402.542 3.711 50 0 HHAARO O=C(c1ccc(Cl)cc1OC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCCCC1 ZINC000012753194 558459275 /nfs/dbraw/zinc/45/92/75/558459275.db2.gz VMMWLPJYQNZPKH-KRWDZBQOSA-N 1 0 406.954 3.846 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cccc(C)n4)C3)C2)c1OC ZINC000012759128 558460678 /nfs/dbraw/zinc/46/06/78/558460678.db2.gz MCTRUCPRTCZRJA-DEOSSOPVSA-N 1 0 409.530 3.536 50 0 HHAARO O=C1NCCN1c1ccc(C[N@H+]2CCC[C@](CO)(CCCc3ccccc3)C2)cc1 ZINC000012762816 558461472 /nfs/dbraw/zinc/46/14/72/558461472.db2.gz UTOBZSYFHQKVIW-RUZDIDTESA-N 1 0 407.558 3.814 50 0 HHAARO CC[NH+](CC)C[C@@H]1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000022454198 558490203 /nfs/dbraw/zinc/49/02/03/558490203.db2.gz UBRKDAVQCKZSPO-SFHVURJKSA-N 1 0 421.545 3.508 50 0 investigational HHAARO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000022803404 558513559 /nfs/dbraw/zinc/51/35/59/558513559.db2.gz JEMUAIQPRKDVNQ-GOSISDBHSA-N 1 0 417.509 3.713 50 0 HHAARO Cc1ccccc1C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1CCO ZINC000022851146 558516924 /nfs/dbraw/zinc/51/69/24/558516924.db2.gz UWWONWUWIUKLFD-QHCPKHFHSA-N 1 0 408.521 3.593 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3cccc4cccnc43)C[C@@H]2CCO)c(C)c1C ZINC000022919649 558522609 /nfs/dbraw/zinc/52/26/09/558522609.db2.gz FTVWJTNMODSIFY-DEOSSOPVSA-N 1 0 419.569 3.929 50 0 HHAARO Cc1cc(C)cc(NC(=O)[C@H]([NH2+]C[C@@H](C(C)C)N2CCOCC2)c2ccccc2)c1 ZINC000022929723 558523742 /nfs/dbraw/zinc/52/37/42/558523742.db2.gz XQDKRDZMJYPTTD-BJKOFHAPSA-N 1 0 409.574 3.930 50 0 HHAARO O=C(CN1CCC[N@H+](Cc2ccccc2)CC1)Nc1ccccc1Br ZINC000022930691 558524151 /nfs/dbraw/zinc/52/41/51/558524151.db2.gz OIEGFNBBNWFLMX-UHFFFAOYSA-N 1 0 402.336 3.596 50 0 HHAARO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](CCO)CC2)c1 ZINC000022956663 558528061 /nfs/dbraw/zinc/52/80/61/558528061.db2.gz NJMGWXBAUJNPJL-UHFFFAOYSA-N 1 0 413.525 3.510 50 0 HHAARO CC(C)C(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccc(F)cc3)CC1)n2C ZINC000013541196 558537657 /nfs/dbraw/zinc/53/76/57/558537657.db2.gz HLHVEXPXAROJKP-UHFFFAOYSA-N 1 0 423.536 3.672 50 0 HHAARO Cc1c2cc(C)ccc2[nH]c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000023145986 558538381 /nfs/dbraw/zinc/53/83/81/558538381.db2.gz FETKUUMNSXBMCP-QFIPXVFZSA-N 1 0 412.622 3.526 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000010891836 558542621 /nfs/dbraw/zinc/54/26/21/558542621.db2.gz KZQJYCZGFTVHBM-GOSISDBHSA-N 1 0 414.377 3.737 50 0 HHAARO COc1ccc(CN2CCC[C@H]([N@H+](C)CCc3ccc(OC)c(OC)c3)C2)cc1O ZINC000023358939 558551371 /nfs/dbraw/zinc/55/13/71/558551371.db2.gz XPGPAKLIAHRHIX-FQEVSTJZSA-N 1 0 414.546 3.557 50 0 HHAARO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3ccc(F)cc3OC)C2)cc1OC ZINC000023375310 558554966 /nfs/dbraw/zinc/55/49/66/558554966.db2.gz MXZHMJXBRQHIJN-NRFANRHFSA-N 1 0 416.537 3.990 50 0 HHAARO C[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(-c4ccccc4)c32)CC1 ZINC000013641648 558555739 /nfs/dbraw/zinc/55/57/39/558555739.db2.gz BUCLOAWADHPMAJ-UHFFFAOYSA-N 1 0 402.454 3.974 50 0 HHAARO O=C(c1cc2nccc(-c3cc(Cl)cc(Cl)c3)n2n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000013644673 558556176 /nfs/dbraw/zinc/55/61/76/558556176.db2.gz RAPUXRKISQDNHN-INIZCTEOSA-N 1 0 416.312 3.623 50 0 HHAARO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023732579 558571839 /nfs/dbraw/zinc/57/18/39/558571839.db2.gz NHBJBKZKRJLECX-LJQANCHMSA-N 1 0 403.979 3.883 50 0 HHAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C\c1cccc(Cl)c1)S2 ZINC000004466049 558593782 /nfs/dbraw/zinc/59/37/82/558593782.db2.gz UUMOZSZRPWNYRV-WOJGMQOQSA-N 1 0 401.919 3.717 50 0 HHAARO COc1ccc(S(=O)(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1 ZINC000024445216 558597780 /nfs/dbraw/zinc/59/77/80/558597780.db2.gz PHNSXLJEHJTGOP-UHFFFAOYSA-N 1 0 410.539 3.902 50 0 HHAARO C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000010969244 558620117 /nfs/dbraw/zinc/62/01/17/558620117.db2.gz DOTRFBSLADDJJL-KRWDZBQOSA-N 1 0 400.544 3.567 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000025419366 558640320 /nfs/dbraw/zinc/64/03/20/558640320.db2.gz CTEURORNABHDFN-ZEQRLZLVSA-N 1 0 415.537 3.967 50 0 HHAARO COc1cc(C(C)=O)ccc1OC[C@H](O)CN(C)Cc1ccccc1Br ZINC000014238180 558642440 /nfs/dbraw/zinc/64/24/40/558642440.db2.gz VPWGDFSLSKGRSO-QGZVFWFLSA-N 1 0 422.319 3.532 50 0 HHAARO Cc1ccccc1OCn1ccc(C(=O)N[C@@H](CC[NH+](C)C)c2ccc(F)cc2)n1 ZINC000072258862 558654403 /nfs/dbraw/zinc/65/44/03/558654403.db2.gz KKPNZKMDZOLAPV-FQEVSTJZSA-N 1 0 410.493 3.790 50 0 HHAARO Cc1cc(C)c(NC(=O)CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000026164329 558656827 /nfs/dbraw/zinc/65/68/27/558656827.db2.gz QLSKFUMQJRGMRI-UHFFFAOYSA-N 1 0 422.573 3.686 50 0 HHAARO CC(C)N1C(=O)N(CCc2ccccc2)C2(CC[NH+](C3CCSCC3)CC2)C1=O ZINC000014538123 558659044 /nfs/dbraw/zinc/65/90/44/558659044.db2.gz ZDXSVVYHFLUODT-UHFFFAOYSA-N 1 0 415.603 3.632 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CCc1ccccc1 ZINC000014744469 558668488 /nfs/dbraw/zinc/66/84/88/558668488.db2.gz BZJWBYGDMBOPME-FQEVSTJZSA-N 1 0 420.557 3.722 50 0 HHAARO COCCN1C(=O)N(C)C(=O)C12CC[NH+](Cc1cccc(-c3ccccc3C)c1)CC2 ZINC000014744646 558668508 /nfs/dbraw/zinc/66/85/08/558668508.db2.gz DVWBNZWIVKWKIR-UHFFFAOYSA-N 1 0 421.541 3.537 50 0 HHAARO COCCN1C(=O)N(Cc2cccc3ccccc32)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014744458 558668532 /nfs/dbraw/zinc/66/85/32/558668532.db2.gz ZXXMXKWANAUGNU-UHFFFAOYSA-N 1 0 423.557 3.741 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000014970135 558687080 /nfs/dbraw/zinc/68/70/80/558687080.db2.gz JHMCTLPZPBIZFH-MRXNPFEDSA-N 1 0 403.498 3.878 50 0 HHAARO COc1cc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2ccccc2F)cc(OC)c1OC ZINC000014976942 558689627 /nfs/dbraw/zinc/68/96/27/558689627.db2.gz XCFHZEZDZVVLIX-SFHVURJKSA-N 1 0 416.493 3.522 50 0 HHAARO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000028068412 558690661 /nfs/dbraw/zinc/69/06/61/558690661.db2.gz NNDIRUPAYYJNJC-APNVUFTPSA-N 1 0 417.638 3.582 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2nc(SC)ncc2Cl)[NH+]2CCCCC2)cc1 ZINC000028289230 558696092 /nfs/dbraw/zinc/69/60/92/558696092.db2.gz DKVRNZCRMYWIRS-QGZVFWFLSA-N 1 0 420.966 3.818 50 0 HHAARO Cc1ccccc1CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC1=O ZINC000014998551 558696786 /nfs/dbraw/zinc/69/67/86/558696786.db2.gz VOWHZHHXUQTZJR-UHFFFAOYSA-N 1 0 419.569 3.856 50 0 HHAARO CCN1CC[NH+](C2(CNC(=O)c3ccc(Br)cc3)CCCCC2)CC1 ZINC000028293521 558698610 /nfs/dbraw/zinc/69/86/10/558698610.db2.gz VLFOYJWAIVWRRY-UHFFFAOYSA-N 1 0 408.384 3.519 50 0 HHAARO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)[nH]n1 ZINC000015065837 558708601 /nfs/dbraw/zinc/70/86/01/558708601.db2.gz BATPMYKPJUZJPZ-SFHVURJKSA-N 1 0 400.542 3.774 50 0 HHAARO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)[nH]n1 ZINC000015065838 558708668 /nfs/dbraw/zinc/70/86/68/558708668.db2.gz BATPMYKPJUZJPZ-GOSISDBHSA-N 1 0 400.542 3.774 50 0 HHAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2C2CCCCC2)CC1)NC[C@@H]1CCCO1 ZINC000015068057 558710615 /nfs/dbraw/zinc/71/06/15/558710615.db2.gz OOSUNLBVPLJBJO-NRFANRHFSA-N 1 0 402.583 3.745 50 0 HHAARO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@H+](Cc2cccc3nccnc23)C1 ZINC000015068892 558711409 /nfs/dbraw/zinc/71/14/09/558711409.db2.gz PCRNTDYZUZIJQI-HXUWFJFHSA-N 1 0 417.557 3.718 50 0 HHAARO CO[C@@H](C(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C)o2)CC1)c1ccccc1 ZINC000015070396 558712411 /nfs/dbraw/zinc/71/24/11/558712411.db2.gz UBSHTAAWRPQPJH-JOCHJYFZSA-N 1 0 408.502 3.948 50 0 HHAARO CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)cc2)CC1 ZINC000029358831 558714226 /nfs/dbraw/zinc/71/42/26/558714226.db2.gz OEUDGJUQULDSSC-OAQYLSRUSA-N 1 0 415.578 3.934 50 0 HHAARO CCC[NH+]1CCN(CCCNC(=O)c2cc3cc4cc(C)ccc4nc3s2)CC1 ZINC000022937921 558723851 /nfs/dbraw/zinc/72/38/51/558723851.db2.gz PXXOGECQRUCJEM-UHFFFAOYSA-N 1 0 410.587 3.905 50 0 HHAARO O=C(CCCNC(=O)C1CC1)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000030847419 558739397 /nfs/dbraw/zinc/73/93/97/558739397.db2.gz UQAMUILJISWJGD-UHFFFAOYSA-N 1 0 419.569 3.872 50 0 HHAARO O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000015477083 558740810 /nfs/dbraw/zinc/74/08/10/558740810.db2.gz FZTADTOIHRJMLX-KRWDZBQOSA-N 1 0 407.308 3.764 50 0 HHAARO COC(=O)c1ccc(C)c(NC(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000072308342 558770254 /nfs/dbraw/zinc/77/02/54/558770254.db2.gz UHKWHLBHIMFQGW-CVDCTZTESA-N 1 0 423.557 3.563 50 0 HHAARO Cc1cc(N2CCN(C(=O)COc3ccc(Cl)cc3C)CC2)nc(C(C)C)n1 ZINC000016103111 558771906 /nfs/dbraw/zinc/77/19/06/558771906.db2.gz VEMVYWIYGIOJIJ-UHFFFAOYSA-N 1 0 402.926 3.598 50 0 HHAARO COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000016750753 558804557 /nfs/dbraw/zinc/80/45/57/558804557.db2.gz AOSFJTAYTCVOBQ-NRFANRHFSA-N 1 0 406.482 3.607 50 0 HHAARO Cc1nn(C)cc1[C@@H](C)NC(=O)C1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000039461406 558821486 /nfs/dbraw/zinc/82/14/86/558821486.db2.gz QPZQNCUZKRYCRZ-GOSISDBHSA-N 1 0 402.542 3.575 50 0 HHAARO COCCn1c2ccc(C)cc2cc(CNCC2([NH+]3CCCCC3)CCCC2)c1=O ZINC000039558083 558822394 /nfs/dbraw/zinc/82/23/94/558822394.db2.gz WWPUIFHMOKOBDO-UHFFFAOYSA-N 1 0 411.590 3.845 50 0 HHAARO OCCNc1nc2ccccc2n1C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000033014947 558834380 /nfs/dbraw/zinc/83/43/80/558834380.db2.gz RQENCHPGLHYUHA-GOSISDBHSA-N 1 0 419.481 3.673 50 0 HHAARO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CCC[C@H](C(F)(F)F)C1 ZINC000022185515 558864062 /nfs/dbraw/zinc/86/40/62/558864062.db2.gz PBHHBTRXMPVQEG-SFHVURJKSA-N 1 0 417.431 3.714 50 0 HHAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)CC2)cc1 ZINC000058015782 558895367 /nfs/dbraw/zinc/89/53/67/558895367.db2.gz WTYUBONZGGTJAC-UHFFFAOYSA-N 1 0 409.505 3.587 50 0 HHAARO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)COc2ccc(F)cc2F)CC1 ZINC000058157517 558903239 /nfs/dbraw/zinc/90/32/39/558903239.db2.gz GESZHZLGADHODH-OAHLLOKOSA-N 1 0 421.463 3.502 50 0 HHAARO O=C(C[NH+](C1CCCC1)C1CCCC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000058208546 558911899 /nfs/dbraw/zinc/91/18/99/558911899.db2.gz LBCSJBFCQRMRIY-UHFFFAOYSA-N 1 0 419.591 3.597 50 0 HHAARO CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCN(c2nc3ccccc3[nH]2)CC1 ZINC000058306343 558918125 /nfs/dbraw/zinc/91/81/25/558918125.db2.gz ZNADWKNSJOLCCW-QFIPXVFZSA-N 1 0 405.546 3.685 50 0 HHAARO C[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000058394151 558923910 /nfs/dbraw/zinc/92/39/10/558923910.db2.gz UHDKYBIAJUMJEH-QGZVFWFLSA-N 1 0 400.954 3.727 50 0 HHAARO CC(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2F)CC1 ZINC000058433728 558926910 /nfs/dbraw/zinc/92/69/10/558926910.db2.gz PMFWAPMBWPJEOA-ZDUSSCGKSA-N 1 0 401.320 3.592 50 0 HHAARO COc1ccc(-c2n[nH]cc2CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c(F)c1 ZINC000019642588 558947802 /nfs/dbraw/zinc/94/78/02/558947802.db2.gz DMZRYFJFWYTCSC-UHFFFAOYSA-N 1 0 420.532 3.900 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3cccc4nonc43)CC2)cc1)N1CCCC1 ZINC000063848523 558959392 /nfs/dbraw/zinc/95/93/92/558959392.db2.gz KZKWDDZUXXCJBO-UHFFFAOYSA-N 1 0 406.486 3.502 50 0 HHAARO CCOc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000064800122 558965720 /nfs/dbraw/zinc/96/57/20/558965720.db2.gz OBRVIRFEWCDOKW-UHFFFAOYSA-N 1 0 424.549 3.528 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)[nH+]1 ZINC000065365915 558976587 /nfs/dbraw/zinc/97/65/87/558976587.db2.gz BJRRVFMPVIWJGK-UHFFFAOYSA-N 1 0 412.513 3.577 50 0 HHAARO CCC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)Cc1cc(=O)n2c(C)csc2n1 ZINC000033068984 558980615 /nfs/dbraw/zinc/98/06/15/558980615.db2.gz RGIXJBPMJPBNSP-UHFFFAOYSA-N 1 0 417.531 3.502 50 0 HHAARO Cc1cc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)c2ccc(F)cc2n1 ZINC000072473859 558983568 /nfs/dbraw/zinc/98/35/68/558983568.db2.gz RQAROHPRKHFYMI-NRFANRHFSA-N 1 0 403.501 3.998 50 0 HHAARO CC(C)NC(=O)N1CCC[C@H](c2cccc(C(=O)NCCC[NH+]3CCCCC3)c2)C1 ZINC000033264382 558984381 /nfs/dbraw/zinc/98/43/81/558984381.db2.gz PWDBOYYBFNOJHY-QFIPXVFZSA-N 1 0 414.594 3.590 50 0 HHAARO FC(F)(F)Oc1ccc(CNc2nc(-c3ccncc3)nc3c2CC[NH2+]C3)cc1 ZINC000067587336 558987286 /nfs/dbraw/zinc/98/72/86/558987286.db2.gz JLDCFLQJCYRYFE-UHFFFAOYSA-N 1 0 401.392 3.695 50 0 HHAARO CN(Cc1nc(-c2cccs2)no1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000067602193 558987878 /nfs/dbraw/zinc/98/78/78/558987878.db2.gz MSWHWUGADDRHGA-UHFFFAOYSA-N 1 0 414.506 3.808 50 0 HHAARO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000067603442 558988090 /nfs/dbraw/zinc/98/80/90/558988090.db2.gz OTIPIXBOOSHFKG-UHFFFAOYSA-N 1 0 408.477 3.746 50 0 HHAARO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000067603766 558988263 /nfs/dbraw/zinc/98/82/63/558988263.db2.gz FIFOCRWMNCKNGK-UHFFFAOYSA-N 1 0 410.905 3.918 50 0 HHAARO Cc1ccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000067622108 558989842 /nfs/dbraw/zinc/98/98/42/558989842.db2.gz QYASBIDFUNTFOW-UHFFFAOYSA-N 1 0 408.477 3.713 50 0 HHAARO C[NH2+][C@@H](C)C(=O)Nc1nn(Cc2ccccc2)c2cccc(Oc3cccnc3)c12 ZINC000077407395 559004229 /nfs/dbraw/zinc/00/42/29/559004229.db2.gz HLJUHFPLMBGFBP-INIZCTEOSA-N 1 0 401.470 3.818 50 0 HHAARO CCN(C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1)C1CCCCC1 ZINC000082092556 559037159 /nfs/dbraw/zinc/03/71/59/559037159.db2.gz INLHNHFIXWLYCQ-JOCHJYFZSA-N 1 0 412.622 3.939 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000247488613 559074232 /nfs/dbraw/zinc/07/42/32/559074232.db2.gz LRKYTJGKSXCYDT-UXHICEINSA-N 1 0 413.512 3.820 50 0 HHAARO COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc3ccccc3s1)C2 ZINC000095364290 559080136 /nfs/dbraw/zinc/08/01/36/559080136.db2.gz YXQRBGUKEYMPBA-HMFYCAOWSA-N 1 0 401.576 3.640 50 0 HHAARO Cc1nnsc1CNC(=O)c1cccc(OC2CC[NH+](CC(C)(C)C)CC2)c1 ZINC000095507446 559083331 /nfs/dbraw/zinc/08/33/31/559083331.db2.gz IKCRKJDTFMKNDK-UHFFFAOYSA-N 1 0 402.564 3.666 50 0 HHAARO Cc1nc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000023741176 559179621 /nfs/dbraw/zinc/17/96/21/559179621.db2.gz XWLYOPOAYPIHQQ-FQEVSTJZSA-N 1 0 409.921 3.796 50 0 HHAARO CCOC(=O)C1CC[NH+]([C@@H](c2ccc(C)cc2)c2c(O)cc(C)n(CC)c2=O)CC1 ZINC000024022905 559187860 /nfs/dbraw/zinc/18/78/60/559187860.db2.gz RBJRNMZLUXIHAO-QFIPXVFZSA-N 1 0 412.530 3.555 50 0 HHAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1cc(=O)n(CC)c2ccccc12 ZINC000004936628 559211896 /nfs/dbraw/zinc/21/18/96/559211896.db2.gz BMNVEUGRYZLPHA-GOSISDBHSA-N 1 0 415.603 3.884 50 0 HHAARO Cc1ccc(N(C[C@@H](O)C[NH+]2CCCC2)S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000005023649 559229768 /nfs/dbraw/zinc/22/97/68/559229768.db2.gz YQNSWKKNCPHEFU-QHCPKHFHSA-N 1 0 424.566 3.800 50 0 HHAARO C[NH+](C)CCN(C(=O)c1cccc(Cl)c1)c1nc2cc3c(cc2s1)OCCO3 ZINC000005121473 559248575 /nfs/dbraw/zinc/24/85/75/559248575.db2.gz BAZVHMSVXILXBU-UHFFFAOYSA-N 1 0 417.918 3.929 50 0 HHAARO O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000005148843 559253091 /nfs/dbraw/zinc/25/30/91/559253091.db2.gz YVXJYIUEMAYNOJ-UHFFFAOYSA-N 1 0 403.530 3.754 50 0 HHAARO Cc1cccc(CN(C(=O)C2CCCC2)c2ccc(CC(=O)NCC[NH+](C)C)cc2)c1 ZINC000037557186 559255295 /nfs/dbraw/zinc/25/52/95/559255295.db2.gz IZJHVTOXTHCNFG-UHFFFAOYSA-N 1 0 421.585 3.939 50 0 HHAARO COc1ccc([C@@H]2CCc3nc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)cn3C2)cc1 ZINC000248132843 559265104 /nfs/dbraw/zinc/26/51/04/559265104.db2.gz ZDMZLNXQHOJNDR-UYAOXDASSA-N 1 0 410.562 3.616 50 0 HHAARO C[N@@H+]1CCCN(c2ccc(CNC(=O)Nc3ccc(-c4nccs4)cc3)cn2)CC1 ZINC000065476951 559279553 /nfs/dbraw/zinc/27/95/53/559279553.db2.gz UTLVWQXNAGNJMQ-UHFFFAOYSA-N 1 0 422.558 3.669 50 0 HHAARO CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1CC(=O)NCc1ccco1 ZINC000006554659 560206084 /nfs/dbraw/zinc/20/60/84/560206084.db2.gz ZDNXZGYMXMNADE-HUVFLSCGSA-N 1 0 412.530 3.663 50 0 biogenic,in-vitro HHAARO CCC1CCC([N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000078806159 560540709 /nfs/dbraw/zinc/54/07/09/560540709.db2.gz CWVNGBSHLZZPPF-NSSZEPTDSA-N 1 0 405.558 3.750 50 0 HHAARO CO[C@H](C)c1noc(CCC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)n1 ZINC000079018087 560541387 /nfs/dbraw/zinc/54/13/87/560541387.db2.gz ZQGZZGWVYBXAAN-QGZVFWFLSA-N 1 0 422.529 3.755 50 0 HHAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)CSc3ccccc3)nc21 ZINC000005239627 560548930 /nfs/dbraw/zinc/54/89/30/560548930.db2.gz VCHDWBXBQINEPT-UHFFFAOYSA-N 1 0 401.557 3.992 50 0 HHAARO C[NH+](C)CCN(Cc1ccccc1F)C(=O)Nc1cc2c(cc1Cl)OCCO2 ZINC000047396282 560886643 /nfs/dbraw/zinc/88/66/43/560886643.db2.gz VEMRLXNUVHEICU-UHFFFAOYSA-N 1 0 407.873 3.846 50 0 HHAARO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000108498216 568418990 /nfs/dbraw/zinc/41/89/90/568418990.db2.gz ZUKZVSRIWTYJHA-ZWKOTPCHSA-N 1 0 406.505 3.760 50 0 HHAARO CC(=O)Nc1ccc(S[C@H](C)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000048184596 568432498 /nfs/dbraw/zinc/43/24/98/568432498.db2.gz WNQAZXYDEHVLSD-JLTOFOAXSA-N 1 0 403.523 3.684 50 0 HHAARO CC(C)[C@@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000048324205 568438087 /nfs/dbraw/zinc/43/80/87/568438087.db2.gz QNHIZGKEURPNSM-VWLOTQADSA-N 1 0 416.569 3.973 50 0 HHAARO CCOC(=O)N1CCC(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000048340067 568440233 /nfs/dbraw/zinc/44/02/33/568440233.db2.gz CKSFYSMDDPFRKK-OALUTQOASA-N 1 0 415.578 3.649 50 0 HHAARO CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000048367995 568442125 /nfs/dbraw/zinc/44/21/25/568442125.db2.gz LLNICSWBFMRXIC-ZEQRLZLVSA-N 1 0 403.526 3.904 50 0 HHAARO O=C(Cn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000012296538 568462681 /nfs/dbraw/zinc/46/26/81/568462681.db2.gz RELIPIDQVGZJDS-FUHWJXTLSA-N 1 0 404.352 3.785 50 0 biogenic HHAARO C[C@@H](NC(=O)CC[N@H+]1Cc2ccccc2O[C@@H](C)C1)c1cnn(-c2ccccc2)c1 ZINC000216028628 568462941 /nfs/dbraw/zinc/46/29/41/568462941.db2.gz LEVBHEHWBXAUTO-RBUKOAKNSA-N 1 0 404.514 3.723 50 0 HHAARO C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012326704 568471850 /nfs/dbraw/zinc/47/18/50/568471850.db2.gz BAMQVPYWMNHYKI-WOUKOJEXSA-N 1 0 409.574 3.811 50 0 HHAARO CCOc1cc2c(cc1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)O[C@H](C)C2 ZINC000022804340 568499793 /nfs/dbraw/zinc/49/97/93/568499793.db2.gz JNEXNZCUVPEBRT-XLIONFOSSA-N 1 0 415.603 3.549 50 0 HHAARO Cc1nn(-c2cc(C)ccc2C)c(Cl)c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000022814935 568499829 /nfs/dbraw/zinc/49/98/29/568499829.db2.gz YWTDJCDTNQIEIL-UHFFFAOYSA-N 1 0 416.013 3.664 50 0 HHAARO CCOC(=O)C1=C(C[N@H+](C)C2CCCCC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000020213969 568594447 /nfs/dbraw/zinc/59/44/47/568594447.db2.gz RPLZRBXZLWBDNL-LJQANCHMSA-N 1 0 405.926 3.776 50 0 HHAARO O[C@H](CSc1ccc(Br)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000020384963 568603144 /nfs/dbraw/zinc/60/31/44/568603144.db2.gz CHNJBACPVVGYNI-SFHVURJKSA-N 1 0 407.377 3.724 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000040012819 568609239 /nfs/dbraw/zinc/60/92/39/568609239.db2.gz VPKBGAGPZUKNNV-HXUWFJFHSA-N 1 0 403.567 3.833 50 0 HHAARO CC[C@H](O)C[NH+]1CCC(NC(=O)Nc2ccc(N(C)C3CCCCC3)c(F)c2)CC1 ZINC000095443122 568611074 /nfs/dbraw/zinc/61/10/74/568611074.db2.gz WZYITKXFJSVTIT-FQEVSTJZSA-N 1 0 420.573 3.951 50 0 HHAARO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(CNC(=O)OC(C)(C)C)nc2C)c1 ZINC000095450992 568614473 /nfs/dbraw/zinc/61/44/73/568614473.db2.gz IVWIHQYMJJAUDT-HNNXBMFYSA-N 1 0 412.534 3.625 50 0 HHAARO CC1CC[NH+](CCc2cccc(NC(=O)CCN3C(=O)COc4ccccc43)c2)CC1 ZINC000095455583 568616941 /nfs/dbraw/zinc/61/69/41/568616941.db2.gz XKMSOJUDOARVNO-UHFFFAOYSA-N 1 0 421.541 3.715 50 0 HHAARO CC1CC[NH+](CCc2cccc(NC(=O)c3ccc(-n4cncn4)c(F)c3)c2)CC1 ZINC000095455969 568617441 /nfs/dbraw/zinc/61/74/41/568617441.db2.gz WVNZKWRZMCKONO-UHFFFAOYSA-N 1 0 407.493 3.933 50 0 HHAARO Cc1ncc(C[N@H+](C)CCO)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095473539 568628934 /nfs/dbraw/zinc/62/89/34/568628934.db2.gz WTJQJDVNTLVSMC-UHFFFAOYSA-N 1 0 403.276 3.554 50 0 HHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4c(F)cccc4F)c(C)c32)CC1 ZINC000020762658 568642772 /nfs/dbraw/zinc/64/27/72/568642772.db2.gz NSNNEMZMAMDVIK-UHFFFAOYSA-N 1 0 417.485 3.672 50 0 HHAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000020979355 568654343 /nfs/dbraw/zinc/65/43/43/568654343.db2.gz FNFHJPJWBLCHCD-UHFFFAOYSA-N 1 0 405.546 3.886 50 0 HHAARO O=C(C[N@H+]1CCC[C@@](O)(c2ccccc2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000225674744 568662958 /nfs/dbraw/zinc/66/29/58/568662958.db2.gz MGJIIOPJSSOTGX-FQEVSTJZSA-N 1 0 408.420 3.897 50 0 HHAARO COc1cc(C=O)ccc1OCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000096012361 568684733 /nfs/dbraw/zinc/68/47/33/568684733.db2.gz RNSCZKIJYGINCQ-NRFANRHFSA-N 1 0 410.514 3.538 50 0 HHAARO O=C(c1ccc2ncnc(N3CCCCC3)c2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000096399960 568694572 /nfs/dbraw/zinc/69/45/72/568694572.db2.gz AOJWEFHRUKIFAT-UHFFFAOYSA-N 1 0 407.562 3.711 50 0 HHAARO CCOC(=O)c1noc2nc(C)nc(NCC3CC[NH+](Cc4cccc(C)c4)CC3)c12 ZINC000021539109 568713317 /nfs/dbraw/zinc/71/33/17/568713317.db2.gz GVWJJTLGZKVKFL-UHFFFAOYSA-N 1 0 423.517 3.735 50 0 HHAARO CC[NH+](CC)CCN(C(=O)c1ccno1)c1nc2c(s1)c(Cl)ccc2OC ZINC000012443841 568725033 /nfs/dbraw/zinc/72/50/33/568725033.db2.gz URIZUCUAWHOUAF-UHFFFAOYSA-N 1 0 408.911 3.935 50 0 HHAARO COc1cc(/C=C\C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc(OC)c1OC ZINC000096402990 568750485 /nfs/dbraw/zinc/75/04/85/568750485.db2.gz DXBYMFMFECDJJG-HJCTWCACSA-N 1 0 414.502 3.662 50 0 HHAARO Cc1cc(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)ccc1-n1nnc2cccnc21 ZINC000021885689 568758440 /nfs/dbraw/zinc/75/84/40/568758440.db2.gz NOGDWGJJCCJZCH-UHFFFAOYSA-N 1 0 412.497 3.972 50 0 HHAARO O=C(NCCN1CCC([NH+]2CCCCC2)CC1)c1cc2cn(C3CC3)cc2s1 ZINC000097076948 568767383 /nfs/dbraw/zinc/76/73/83/568767383.db2.gz HSUWJHWJKAEGEG-UHFFFAOYSA-N 1 0 400.592 3.718 50 0 HHAARO C[NH+](C)CCCNCc1nn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1 ZINC000261491972 568820144 /nfs/dbraw/zinc/82/01/44/568820144.db2.gz NNOSPOJVRRQBBU-UHFFFAOYSA-N 1 0 401.917 3.827 50 0 HHAARO Cn1nnnc1SCCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000261492515 568820479 /nfs/dbraw/zinc/82/04/79/568820479.db2.gz DSNIBEZSADYNCQ-UHFFFAOYSA-N 1 0 410.522 3.624 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2c3cccc2Cl)cc1 ZINC000057143122 568824603 /nfs/dbraw/zinc/82/46/03/568824603.db2.gz DBUPSYZRCYMXNH-CDMIOBSGSA-N 1 0 413.905 3.769 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)CCc3nnc(-c4ccccc4)o3)c(C)c2)CC1 ZINC000029376270 568824915 /nfs/dbraw/zinc/82/49/15/568824915.db2.gz AVWBWCDHNQMMBN-UHFFFAOYSA-N 1 0 419.529 3.758 50 0 HHAARO CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000057314315 568826683 /nfs/dbraw/zinc/82/66/83/568826683.db2.gz LQWQLDFNIYXQNN-UHFFFAOYSA-N 1 0 410.587 3.868 50 0 HHAARO CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)N2CCN(c3ncccn3)CC2)C(C)C)cc1 ZINC000057455975 568837815 /nfs/dbraw/zinc/83/78/15/568837815.db2.gz WCBDYUKMTXXBEI-AUSIDOKSSA-N 1 0 409.578 3.626 50 0 HHAARO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cnn1-c1cc(F)ccc1Cl ZINC000230206503 568854996 /nfs/dbraw/zinc/85/49/96/568854996.db2.gz BSRKOWKXVWEBEG-BEFAXECRSA-N 1 0 404.917 3.968 50 0 biogenic HHAARO COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]2CCC[N@@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000057992188 568873051 /nfs/dbraw/zinc/87/30/51/568873051.db2.gz XELZJZRNKWSHBN-RQVMVGKASA-N 1 0 411.889 3.619 50 0 HHAARO Cc1ccc(CNc2ncnc3sc(C(=O)N(C)C4CC[NH+](C)CC4)c(C)c32)o1 ZINC000299760990 568873385 /nfs/dbraw/zinc/87/33/85/568873385.db2.gz QKDPJHULCMJTMV-UHFFFAOYSA-N 1 0 413.547 3.679 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000003290649 568873518 /nfs/dbraw/zinc/87/35/18/568873518.db2.gz OAQSHPYEJQXBQI-UHFFFAOYSA-N 1 0 418.335 3.773 50 0 HHAARO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC12CC[NH+](Cc1ccc3c(c1)CCO3)CC2 ZINC000299794040 568876032 /nfs/dbraw/zinc/87/60/32/568876032.db2.gz IZLYMFGBCICAKV-IBGZPJMESA-N 1 0 406.482 3.591 50 0 HHAARO COc1ccc2cc(C[NH2+]CCc3ccc(F)cc3)c(N3CCC[C@H](CO)C3)nc2c1 ZINC000299796105 568876275 /nfs/dbraw/zinc/87/62/75/568876275.db2.gz NKTAIXLYAMSGHJ-IBGZPJMESA-N 1 0 423.532 3.924 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000003363332 568888466 /nfs/dbraw/zinc/88/84/66/568888466.db2.gz YPYHBGQXUDPGFS-UHFFFAOYSA-N 1 0 417.575 3.566 50 0 HHAARO CC[NH+](CC)CCOc1cc(NC(=O)CCc2ccc(OC)cc2)ccc1OC ZINC000058151630 568892820 /nfs/dbraw/zinc/89/28/20/568892820.db2.gz QZDIRNWHJFFKIL-UHFFFAOYSA-N 1 0 400.519 3.996 50 0 HHAARO O=C(CCNC(=O)c1ccccc1Cl)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052994072 568917400 /nfs/dbraw/zinc/91/74/00/568917400.db2.gz LBYCLTASBHWHCU-UHFFFAOYSA-N 1 0 405.970 3.575 50 0 HHAARO CC1CC[NH+](Cc2ccc(CNC(=O)CN3C(=O)CSc4ccccc43)cc2)CC1 ZINC000031201363 568919080 /nfs/dbraw/zinc/91/90/80/568919080.db2.gz NGIDBCLANOQRBU-UHFFFAOYSA-N 1 0 423.582 3.674 50 0 HHAARO COc1c2c(cc3c1[C@@H](C[C@H](O)c1ccc(Br)cc1)[N@H+](C)CC3)OCO2 ZINC000004029797 568934499 /nfs/dbraw/zinc/93/44/99/568934499.db2.gz BVCMOJHQNDYZII-CVEARBPZSA-N 1 0 420.303 3.839 50 0 biogenic HHAARO O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000006445947 568936656 /nfs/dbraw/zinc/93/66/56/568936656.db2.gz GIVOPYHHSKYZIU-DZGCQCFKSA-N 1 0 424.452 3.622 50 0 HHAARO CC(C)(C)OC(=O)N1CCc2cccc(C[NH2+]CCNC(=O)c3cccs3)c21 ZINC000084200441 568944466 /nfs/dbraw/zinc/94/44/66/568944466.db2.gz QBCQRXWFSFXDIL-UHFFFAOYSA-N 1 0 401.532 3.565 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000012762626 568946450 /nfs/dbraw/zinc/94/64/50/568946450.db2.gz YTNINSKYLUCLTC-NRFANRHFSA-N 1 0 413.949 3.611 50 0 HHAARO CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000012763738 568947304 /nfs/dbraw/zinc/94/73/04/568947304.db2.gz XPEMKDNGXKRZCM-UHFFFAOYSA-N 1 0 407.514 3.991 50 0 HHAARO COc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(N(C)C)cc3)nc21 ZINC000004272547 568957572 /nfs/dbraw/zinc/95/75/72/568957572.db2.gz BRXSMQMUVRDMOY-UHFFFAOYSA-N 1 0 412.559 3.969 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000015681642 568968170 /nfs/dbraw/zinc/96/81/70/568968170.db2.gz WVABVARXWZETFD-UHFFFAOYSA-N 1 0 409.509 3.716 50 0 HHAARO Cc1nn(-c2cccc(C)c2)c(-n2cccc2)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000015731269 568981819 /nfs/dbraw/zinc/98/18/19/568981819.db2.gz RPYPSLADDHAIHQ-IBGZPJMESA-N 1 0 405.546 3.884 50 0 HHAARO CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000012818774 568990649 /nfs/dbraw/zinc/99/06/49/568990649.db2.gz BYTCSAIVCXLBRQ-QFIPXVFZSA-N 1 0 408.546 3.614 50 0 HHAARO Cc1ccccc1C(=O)N1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000012819218 568990880 /nfs/dbraw/zinc/99/08/80/568990880.db2.gz MPRVXBPCRIVKQZ-UHFFFAOYSA-N 1 0 419.569 3.628 50 0 HHAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000008346071 568994729 /nfs/dbraw/zinc/99/47/29/568994729.db2.gz VQHPIFOBUHLRMD-JOCHJYFZSA-N 1 0 415.497 3.640 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(F)cc1 ZINC000008373993 568995745 /nfs/dbraw/zinc/99/57/45/568995745.db2.gz OJIQGJGJPCQXSX-GOSISDBHSA-N 1 0 400.837 3.692 50 0 HHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1[nH]nc2c1CCc1ccccc1-2 ZINC000015772824 568998894 /nfs/dbraw/zinc/99/88/94/568998894.db2.gz QNWIFZYEETZQLD-UHFFFAOYSA-N 1 0 414.553 3.860 50 0 HHAARO COc1ccc2c(c1)C[C@H](C(=O)NCC1CC[NH+](Cc3ccc(C)cc3)CC1)CO2 ZINC000015786261 569007264 /nfs/dbraw/zinc/00/72/64/569007264.db2.gz CGBBNTVESNXEFA-QFIPXVFZSA-N 1 0 408.542 3.583 50 0 HHAARO CC[C@@H]1C[N@H+](CCC(=O)N[C@H](C)c2csc(C)n2)Cc2cc(OC)ccc2O1 ZINC000104404765 569008490 /nfs/dbraw/zinc/00/84/90/569008490.db2.gz YEXCSVRASVCNKZ-RHSMWYFYSA-N 1 0 403.548 3.701 50 0 HHAARO Cc1sc2ncnc(SCC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)c2c1C ZINC000012891461 569020066 /nfs/dbraw/zinc/02/00/66/569020066.db2.gz ORFFOYRMIBBACK-KRWDZBQOSA-N 1 0 412.584 3.791 50 0 HHAARO CCOCCC[NH2+][C@H](C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC ZINC000006206903 569033083 /nfs/dbraw/zinc/03/30/83/569033083.db2.gz ADELDTMOYXWERG-OAHLLOKOSA-N 1 0 404.532 3.935 50 0 HHAARO Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)NCCC[NH+]4CCCCC4)C3)nn2)cc1 ZINC000035398054 569035031 /nfs/dbraw/zinc/03/50/31/569035031.db2.gz LASSPXICKPXYPY-QFIPXVFZSA-N 1 0 421.589 3.661 50 0 HHAARO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000035454070 569037855 /nfs/dbraw/zinc/03/78/55/569037855.db2.gz FMYKLAAJFBPSHC-OALUTQOASA-N 1 0 424.589 3.647 50 0 HHAARO C[N@H+](Cc1ccccc1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C1CCCCC1 ZINC000012984989 569047726 /nfs/dbraw/zinc/04/77/26/569047726.db2.gz XKZWAAQWULMDKT-UHFFFAOYSA-N 1 0 420.513 3.505 50 0 HHAARO Cc1csc(CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000241170965 569054674 /nfs/dbraw/zinc/05/46/74/569054674.db2.gz KDEJBRWCAPVMCZ-IAGOWNOFSA-N 1 0 411.493 3.811 50 0 HHAARO Cc1csc(CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)n1 ZINC000241170964 569054734 /nfs/dbraw/zinc/05/47/34/569054734.db2.gz KDEJBRWCAPVMCZ-DLBZAZTESA-N 1 0 411.493 3.811 50 0 HHAARO CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)C1 ZINC000241684875 569054848 /nfs/dbraw/zinc/05/48/48/569054848.db2.gz QFXCTELSOMCKJL-NQIIRXRSSA-N 1 0 401.551 3.546 50 0 HHAARO Cc1cc(C)nc(SCC(=O)N(C)[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000242001153 569055006 /nfs/dbraw/zinc/05/50/06/569055006.db2.gz VDHOAIVLYPKFIH-YPGOJHLTSA-N 1 0 412.603 3.801 50 0 HHAARO CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c12 ZINC000006660100 569084161 /nfs/dbraw/zinc/08/41/61/569084161.db2.gz AABAXVYXHFJILS-HNNXBMFYSA-N 1 0 414.546 3.857 50 0 HHAARO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000036103540 569092166 /nfs/dbraw/zinc/09/21/66/569092166.db2.gz CPDPHBGUCZSSQX-HSZRJFAPSA-N 1 0 405.494 3.995 50 0 HHAARO COc1cccc(C[N@H+]2CC=C(C(=O)NCc3ccc(Br)cc3)CC2)c1 ZINC000064818006 569101159 /nfs/dbraw/zinc/10/11/59/569101159.db2.gz AJWDCEOVYLXCHB-UHFFFAOYSA-N 1 0 415.331 3.906 50 0 HHAARO O=C(C1=CC[N@H+](Cc2cccc(F)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000064818095 569101265 /nfs/dbraw/zinc/10/12/65/569101265.db2.gz KICJNETVLXGNIG-UHFFFAOYSA-N 1 0 413.924 3.960 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+][C@H]3CCCC[C@@H]3C)cc21 ZINC000006732822 569103922 /nfs/dbraw/zinc/10/39/22/569103922.db2.gz JASNWUQUBISMEN-VPWXQRGCSA-N 1 0 402.535 3.571 50 0 HHAARO CCOC(=O)c1c(C)n(C)c2ccc(OC[C@H](O)C[NH2+][C@@H](C)c3ccccc3)cc21 ZINC000006732826 569103994 /nfs/dbraw/zinc/10/39/94/569103994.db2.gz UOVFGADLIZZKCT-QFBILLFUSA-N 1 0 410.514 3.754 50 0 HHAARO CC1=C(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)C2(CCCCC2)OC1=O ZINC000006772439 569117666 /nfs/dbraw/zinc/11/76/66/569117666.db2.gz FKSLRRIUAIBWGT-UHFFFAOYSA-N 1 0 410.558 3.634 50 0 biogenic HHAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccccc3)cn2)C1 ZINC000065023678 569155009 /nfs/dbraw/zinc/15/50/09/569155009.db2.gz QJBTWHCCFZIHME-JOCHJYFZSA-N 1 0 423.605 3.988 50 0 HHAARO CC(C)C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1Cc2ccccc2C1=O ZINC000006874276 569162591 /nfs/dbraw/zinc/16/25/91/569162591.db2.gz GATQKLATUMHZNQ-XMMPIXPASA-N 1 0 419.569 3.838 50 0 HHAARO Cn1c(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc2c1CCN(Cc1ccccc1)C2 ZINC000065210811 569196253 /nfs/dbraw/zinc/19/62/53/569196253.db2.gz FCSPAKLLLQVQRK-UHFFFAOYSA-N 1 0 420.601 3.674 50 0 HHAARO CC(C)Cn1cc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c2ccccc2c1=O ZINC000007001144 569198833 /nfs/dbraw/zinc/19/88/33/569198833.db2.gz HZBVNBCDYAONET-UHFFFAOYSA-N 1 0 410.518 3.846 50 0 HHAARO Cc1ccc2[nH]c(=O)c(CCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000065245442 569205059 /nfs/dbraw/zinc/20/50/59/569205059.db2.gz YWNPWCOKFVHWLW-UHFFFAOYSA-N 1 0 403.526 3.962 50 0 HHAARO CCOc1ccc(NC(=O)c2ccnc(N3CC[NH2+][C@@H](c4ccccc4)C3)c2)cc1 ZINC000065255972 569208001 /nfs/dbraw/zinc/20/80/01/569208001.db2.gz BKBHEVSXVXSFOX-JOCHJYFZSA-N 1 0 402.498 3.884 50 0 HHAARO O=C(NCc1ccccc1Cl)c1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)nc1 ZINC000065256165 569208200 /nfs/dbraw/zinc/20/82/00/569208200.db2.gz YSOREACJZDCMEQ-OAQYLSRUSA-N 1 0 406.917 3.816 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000065512736 569233413 /nfs/dbraw/zinc/23/34/13/569233413.db2.gz ABYQXIBGBCPSGL-HXUWFJFHSA-N 1 0 410.537 3.616 50 0 HHAARO O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007322029 569233500 /nfs/dbraw/zinc/23/35/00/569233500.db2.gz ZZNICUUVYLIKOG-UHFFFAOYSA-N 1 0 413.827 3.755 50 0 HHAARO CCCC[NH+]1CCC(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 ZINC000065592952 569236893 /nfs/dbraw/zinc/23/68/93/569236893.db2.gz ICFAZNVUDQNKFU-MRXNPFEDSA-N 1 0 412.500 3.698 50 0 HHAARO CCCC[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000065592867 569236925 /nfs/dbraw/zinc/23/69/25/569236925.db2.gz DMUZVZUSTRQFKO-ZDUSSCGKSA-N 1 0 401.320 3.736 50 0 HHAARO Brc1ccc(C[NH2+][C@@H]2CCOc3ccccc32)c(N2CCOCC2)c1 ZINC000170591551 569240627 /nfs/dbraw/zinc/24/06/27/569240627.db2.gz PBWOJQVNKGIXFE-GOSISDBHSA-N 1 0 403.320 3.899 50 0 HHAARO COc1ccc2c(c1)snc2C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000170613531 569246924 /nfs/dbraw/zinc/24/69/24/569246924.db2.gz FEAVXISVVGMVCF-GOSISDBHSA-N 1 0 411.527 3.880 50 0 HHAARO O=C(C[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000089832506 569266780 /nfs/dbraw/zinc/26/67/80/569266780.db2.gz UJYRVWICDPVUSW-NRFANRHFSA-N 1 0 422.525 3.940 50 0 HHAARO CC1(C[NH+]2CCOCC2)CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000089919465 569268655 /nfs/dbraw/zinc/26/86/55/569268655.db2.gz WMQAAHMMXDNMRN-UHFFFAOYSA-N 1 0 423.557 3.852 50 0 HHAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)[nH+]1 ZINC000017012414 569271627 /nfs/dbraw/zinc/27/16/27/569271627.db2.gz DTWIFXZXOMMTSW-UHFFFAOYSA-N 1 0 401.514 3.501 50 0 HHAARO C[N@H+](CCOCCOc1ccc(I)cc1)Cc1ccccc1 ZINC000002821938 569278041 /nfs/dbraw/zinc/27/80/41/569278041.db2.gz RWMLLWGBGPKKOJ-UHFFFAOYSA-N 1 0 411.283 3.819 50 0 HHAARO O=C(NC[C@H]1CCN(c2ccccc2)C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000252458541 569286618 /nfs/dbraw/zinc/28/66/18/569286618.db2.gz QBRFUQOQKDMYFZ-WOJBJXKFSA-N 1 0 412.603 3.786 50 0 HHAARO O=c1[nH]c(CN(Cc2cccc3cccnc32)C[C@H]2CCCO2)nc2ccccc21 ZINC000054619039 569292378 /nfs/dbraw/zinc/29/23/78/569292378.db2.gz NJYCJGOWJHDFPE-LJQANCHMSA-N 1 0 400.482 3.653 50 0 HHAARO CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000170654881 569295466 /nfs/dbraw/zinc/29/54/66/569295466.db2.gz WJBOWKAXLZCAJA-WMZHIEFXSA-N 1 0 408.542 3.756 50 0 HHAARO O=C(COc1ccc(Br)cc1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000007687165 569300813 /nfs/dbraw/zinc/30/08/13/569300813.db2.gz VZESHICASCYQEU-MRXNPFEDSA-N 1 0 409.349 3.843 50 0 HHAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1csc(-c2ccncc2)n1 ZINC000064667414 569326274 /nfs/dbraw/zinc/32/62/74/569326274.db2.gz CXWTYJSXOAYILC-UHFFFAOYSA-N 1 0 406.555 3.890 50 0 HHAARO O=S(=O)(NC1CC[NH+](Cc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000253426936 569368314 /nfs/dbraw/zinc/36/83/14/569368314.db2.gz BZWCKXKASUMAAX-UHFFFAOYSA-N 1 0 404.498 3.692 50 0 HHAARO Cc1ccc(OC2CC[NH+](Cc3ccncc3)CC2)c(C(=O)N2CCSCC2)c1 ZINC000012434598 569382500 /nfs/dbraw/zinc/38/25/00/569382500.db2.gz UKHBQLMYWUWNMV-UHFFFAOYSA-N 1 0 411.571 3.622 50 0 HHAARO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000002377366 569389621 /nfs/dbraw/zinc/38/96/21/569389621.db2.gz QWQNYINXGBLPIP-UHFFFAOYSA-N 1 0 411.889 3.995 50 0 HHAARO CC(C)Oc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)cc1 ZINC000002417850 569397546 /nfs/dbraw/zinc/39/75/46/569397546.db2.gz IVANQYYXDUESFW-NRFANRHFSA-N 1 0 406.482 3.687 50 0 HHAARO C[C@@H]1C[C@H](N(C)C(=O)COc2ccc3cc(Br)ccc3c2)CC[N@@H+]1C ZINC000078870210 569421042 /nfs/dbraw/zinc/42/10/42/569421042.db2.gz OIOJDZZVRKWRCQ-RDTXWAMCSA-N 1 0 405.336 3.922 50 0 HHAARO COC(=O)c1ccsc1N1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953970 569422042 /nfs/dbraw/zinc/42/20/42/569422042.db2.gz FKYVRHSALSZXPX-QZTJIDSGSA-N 1 0 402.491 3.910 50 0 HHAARO COc1ccc2c(CC(=O)NC[C@@H](c3cccc(OC)c3)[NH+]3CCCC3)coc2c1 ZINC000008778375 571118471 /nfs/dbraw/zinc/11/84/71/571118471.db2.gz JVVXDKRAZISNGS-QFIPXVFZSA-N 1 0 408.498 3.946 50 0 HHAARO CCOc1ccc(NC(=O)c2ccc(N3CC[NH2+][C@@H](c4ccccc4)C3)nc2)cc1 ZINC000039229426 571122001 /nfs/dbraw/zinc/12/20/01/571122001.db2.gz JQRAULGZQNYDBS-JOCHJYFZSA-N 1 0 402.498 3.884 50 0 HHAARO Clc1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCOCC2)cc2c1OCCCO2 ZINC000040062961 571147589 /nfs/dbraw/zinc/14/75/89/571147589.db2.gz PCFDXWUQYFTYJT-FQEVSTJZSA-N 1 0 402.922 3.664 50 0 HHAARO Clc1cc(C[NH2+]C[C@H](c2ccccc2)N2CCOCC2)cc2c1OCCCO2 ZINC000040062959 571147787 /nfs/dbraw/zinc/14/77/87/571147787.db2.gz PCFDXWUQYFTYJT-HXUWFJFHSA-N 1 0 402.922 3.664 50 0 HHAARO CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000040108097 571167925 /nfs/dbraw/zinc/16/79/25/571167925.db2.gz GKXKHLBIZXSMRO-LUEHDQEYSA-N 1 0 417.638 3.582 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2cccn2C)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000245280469 571222606 /nfs/dbraw/zinc/22/26/06/571222606.db2.gz RPICABBINFTRDJ-OFNKIYASSA-N 1 0 415.553 3.511 50 0 HHAARO O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000069458949 571228264 /nfs/dbraw/zinc/22/82/64/571228264.db2.gz MYSZHTVGSFDWQA-VXKWHMMOSA-N 1 0 401.551 3.864 50 0 HHAARO CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CC)CC1 ZINC000009265434 571243967 /nfs/dbraw/zinc/24/39/67/571243967.db2.gz JZHPUYQGCAIKSS-UHFFFAOYSA-N 1 0 415.534 3.744 50 0 HHAARO Cc1c(C(=O)NCC(C)C)nnn1-c1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000069848255 571246935 /nfs/dbraw/zinc/24/69/35/571246935.db2.gz VHLWVTWHIJGMRI-UHFFFAOYSA-N 1 0 421.520 3.659 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cnn(Cc3ccccc3)c2)[NH+]2CCCCC2)cc1 ZINC000009762387 571284686 /nfs/dbraw/zinc/28/46/86/571284686.db2.gz LBZWWZYYQRORHV-DEOSSOPVSA-N 1 0 418.541 3.897 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)C(=O)NCc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000010333470 571300547 /nfs/dbraw/zinc/30/05/47/571300547.db2.gz CLXWFCKTOPBOOV-OAQYLSRUSA-N 1 0 409.917 3.529 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)CC(C)C ZINC000078387957 571313424 /nfs/dbraw/zinc/31/34/24/571313424.db2.gz JXDSUGDMSFHCBR-LJQANCHMSA-N 1 0 423.548 3.690 50 0 HHAARO O=C(NCCc1ccccc1)C1CC[NH+](C2CCN(Cc3ccccc3F)CC2)CC1 ZINC000011753816 962179979 /nfs/dbraw/zinc/17/99/79/962179979.db2.gz FYHNGQRERYLJAU-UHFFFAOYSA-N 1 0 423.576 3.861 50 0 HHAARO Cc1cc(C)c(C[NH+]2CCC3(CC[C@@H](CNC(=O)c4cccnc4)O3)CC2)cc1C ZINC000011970939 962216466 /nfs/dbraw/zinc/21/64/66/962216466.db2.gz CWZWVJIXZPGYTH-QHCPKHFHSA-N 1 0 407.558 3.950 50 0 HHAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)CCn1ccc(C)n1 ZINC000011997856 962221217 /nfs/dbraw/zinc/22/12/17/962221217.db2.gz ZFSORIYNMUYVHG-NRFANRHFSA-N 1 0 400.542 3.524 50 0 HHAARO CC[C@H](C)C[NH+]1CCC([C@]2(CC)NC(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 ZINC000012042930 962227265 /nfs/dbraw/zinc/22/72/65/962227265.db2.gz BAZWGHSDSGSGLF-UUOWRZLLSA-N 1 0 415.578 3.696 50 0 HHAARO Cc1cccc(N2CC[NH+]([C@@H]3CCC(=O)N(Cc4ccccc4Cl)CC3)CC2)n1 ZINC000012050792 962229039 /nfs/dbraw/zinc/22/90/39/962229039.db2.gz YPILWXQKKXTHTP-HXUWFJFHSA-N 1 0 412.965 3.747 50 0 HHAARO COCCN(CC1CC[NH+](Cc2ccccc2OC)CC1)C(=O)Cc1cccs1 ZINC000012072366 962233220 /nfs/dbraw/zinc/23/32/20/962233220.db2.gz BOHHSKHQPFPQTO-UHFFFAOYSA-N 1 0 416.587 3.686 50 0 HHAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 ZINC000012112098 962242184 /nfs/dbraw/zinc/24/21/84/962242184.db2.gz VAQFHYQQIMVYPT-NRFANRHFSA-N 1 0 419.997 3.502 50 0 HHAARO Cc1cc(C(=O)NC[C@@H]2CCC3(CC[NH+](CC[C@@H](C)c4ccccc4)CC3)O2)n(C)n1 ZINC000012135788 962245028 /nfs/dbraw/zinc/24/50/28/962245028.db2.gz LMWHMDYKNKMUFL-KNQAVFIVSA-N 1 0 424.589 3.666 50 0 HHAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@H]([NH2+]CC1CCCCC1)CC3 ZINC000012243284 962257972 /nfs/dbraw/zinc/25/79/72/962257972.db2.gz ODQMACJQAATFPO-QGZVFWFLSA-N 1 0 408.571 3.929 50 0 HHAARO Cc1cccc(C[NH+]2CCC([C@@]3(Cc4ccccc4Cl)NC(=O)NC3=O)CC2)c1 ZINC000012281583 962267218 /nfs/dbraw/zinc/26/72/18/962267218.db2.gz ZJARQAJOWNHFJS-HSZRJFAPSA-N 1 0 411.933 3.681 50 0 HHAARO CCn1cc(C[NH+]2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1 ZINC000012303739 962268836 /nfs/dbraw/zinc/26/88/36/962268836.db2.gz PRHOKZORGFZPSR-UHFFFAOYSA-N 1 0 405.502 3.941 50 0 HHAARO COc1ccc(C(=O)N[C@@H](C)Cc2ccccn2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012448255 962281062 /nfs/dbraw/zinc/28/10/62/962281062.db2.gz FHLVOZBERTUZSC-SFHVURJKSA-N 1 0 411.546 3.703 50 0 HHAARO COc1ccc(C(=O)N[C@H](C)Cc2ccccn2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000012448256 962281342 /nfs/dbraw/zinc/28/13/42/962281342.db2.gz FHLVOZBERTUZSC-GOSISDBHSA-N 1 0 411.546 3.703 50 0 HHAARO C[C@H]1C[N@H+](CCC(=O)N(C)C[C@@H](O)c2ccccc2)Cc2cc(Cl)ccc2O1 ZINC000012456618 962283828 /nfs/dbraw/zinc/28/38/28/962283828.db2.gz GEAJAEVKGHTLRC-OXJNMPFZSA-N 1 0 402.922 3.505 50 0 HHAARO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccccc3Cl)CC2)C1 ZINC000012456471 962284440 /nfs/dbraw/zinc/28/44/40/962284440.db2.gz AAEKLLNHPOWZGU-PMACEKPBSA-N 1 0 419.997 3.802 50 0 HHAARO COCCc1nc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCCC3)cc2o1 ZINC000012571338 962293360 /nfs/dbraw/zinc/29/33/60/962293360.db2.gz CEKBNQMKVLRQIG-OAQYLSRUSA-N 1 0 407.514 3.974 50 0 HHAARO O=C(c1ccc(OC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1)N1CCCC1 ZINC000012579074 962296849 /nfs/dbraw/zinc/29/68/49/962296849.db2.gz SJTJVRBKXONFAJ-UHFFFAOYSA-N 1 0 406.526 3.901 50 0 HHAARO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000012586382 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YFOGBHAXQISYSD-UHFFFAOYSA-N 1 0 421.541 3.642 50 0 HHAARO COCCCN(C(=O)c1ccc(-c2ccccc2C)nc1N(C)C)C1CC[NH+](C)CC1 ZINC000014975038 962617364 /nfs/dbraw/zinc/61/73/64/962617364.db2.gz BVMKGLYEBOQRNA-UHFFFAOYSA-N 1 0 424.589 3.696 50 0 HHAARO COc1ccc(C(=O)NCc2nc(C)cs2)cc1OC1CC[NH+](C(C)C)CC1 ZINC000014974832 962617808 /nfs/dbraw/zinc/61/78/08/962617808.db2.gz XRYBAVMFQNARJM-UHFFFAOYSA-N 1 0 403.548 3.642 50 0 HHAARO COc1cccc([C@H](CNC(=O)c2ccc(NC(=O)c3ccco3)cc2)[NH+](C)C)c1 ZINC000018017003 963251596 /nfs/dbraw/zinc/25/15/96/963251596.db2.gz FIVCEQWLRKACKK-FQEVSTJZSA-N 1 0 407.470 3.573 50 0 HHAARO COc1cc2c(cc1OC)CN([C@H]1CCC[N@H+](Cc3cccc(C(C)=O)c3)C1)CC2 ZINC000019745121 963375030 /nfs/dbraw/zinc/37/50/30/963375030.db2.gz WTQQWFDYLVQIKA-QHCPKHFHSA-N 1 0 408.542 3.929 50 0 HHAARO COc1ccc(-n2ccnc2CN(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000022914131 963739251 /nfs/dbraw/zinc/73/92/51/963739251.db2.gz HXFVDWDGYXMZDK-QHCPKHFHSA-N 1 0 416.569 3.945 50 0 HHAARO CC(C)[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(Cc2cccc(Cl)c2)C1 ZINC000023338584 963800943 /nfs/dbraw/zinc/80/09/43/963800943.db2.gz CCPSLJLLGMMNIU-UNMCSNQZSA-N 1 0 417.956 3.779 50 0 HHAARO CC[NH+]1CCN(CC(=O)NCc2ccc3[nH]c(-c4ccccc4F)c(C)c3c2)CC1 ZINC000023358143 963807229 /nfs/dbraw/zinc/80/72/29/963807229.db2.gz DNXOMOBLRWGQAS-UHFFFAOYSA-N 1 0 408.521 3.536 50 0 HHAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCCN(Cc3cccc(OC)c3)C2)cc1 ZINC000023372901 963810973 /nfs/dbraw/zinc/81/09/73/963810973.db2.gz CIMPGRXENNMVJG-NRFANRHFSA-N 1 0 406.530 3.848 50 0 HHAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)N(Cc3ccc4ccccc4c3)CC2)C1 ZINC000023379574 963812638 /nfs/dbraw/zinc/81/26/38/963812638.db2.gz NTEWOQKWKJCVRE-GOTSBHOMSA-N 1 0 408.542 3.996 50 0 HHAARO O=C(/C=C\c1ccc(N2CCCC2=O)cc1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000096940639 969058464 /nfs/dbraw/zinc/05/84/64/969058464.db2.gz QMESPOBNCNYCAP-DBBZSVRUSA-N 1 0 409.555 3.841 50 0 HHAARO CCOc1ccccc1CN1CC[N@H+](Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104330658 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WONPAQNHAGPHNQ-UHFFFAOYSA-N 1 0 415.563 3.525 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccc(F)c(F)c3)c(C)c2)CC1 ZINC000032772071 521699340 /nfs/dbraw/zinc/69/93/40/521699340.db2.gz DJYSFKILSGLROD-INIZCTEOSA-N 1 0 402.489 3.854 50 0 HHAARO CCNC(=O)[C@@H]1C[C@@H]([NH2+]C2Cc3ccccc3C2)CN1Cc1ccc2ccccc2c1 ZINC000020601512 521744752 /nfs/dbraw/zinc/74/47/52/521744752.db2.gz JCPLFIVQBSMYRP-FTJBHMTQSA-N 1 0 413.565 3.676 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C1=Cc2cc(Br)ccc2OC1)c1cccc(F)c1 ZINC000032730312 522008061 /nfs/dbraw/zinc/00/80/61/522008061.db2.gz HMHVMKPFYVQSTE-SFHVURJKSA-N 1 0 419.294 3.783 50 0 HHAARO C[N@H+](CC(=O)Nc1ccc(I)cc1)[C@H]1CCc2ccccc21 ZINC000029482775 522505155 /nfs/dbraw/zinc/50/51/55/522505155.db2.gz GMETYCXIABXAKD-KRWDZBQOSA-N 1 0 406.267 3.849 50 0 HHAARO COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000225418119 523184411 /nfs/dbraw/zinc/18/44/11/523184411.db2.gz LNQHBBQGMXBOHP-CRAIPNDOSA-N 1 0 402.926 3.733 50 0 biogenic HHAARO C[N@H+](Cc1ccccc1NC(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CCCCC1 ZINC000032754806 523379689 /nfs/dbraw/zinc/37/96/89/523379689.db2.gz UHKICWFUYYGYOL-UHFFFAOYSA-N 1 0 407.514 3.911 50 0 HHAARO C[NH+](C)C1(CNC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CCCCC1 ZINC000044308421 524037124 /nfs/dbraw/zinc/03/71/24/524037124.db2.gz BRRDDTZOEZCBDY-UHFFFAOYSA-N 1 0 414.571 3.655 50 0 HHAARO CNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(Oc3ccccc3)c2)CN1Cc1ccccc1 ZINC000032507886 524089265 /nfs/dbraw/zinc/08/92/65/524089265.db2.gz UXEBXVVMVGINET-DHLKQENFSA-N 1 0 415.537 3.958 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)c1cncn1-c1ccc(F)cc1)[NH+]1CCCC1 ZINC000032841469 524793143 /nfs/dbraw/zinc/79/31/43/524793143.db2.gz IBXSJIBJRPLSOS-FQEVSTJZSA-N 1 0 408.477 3.587 50 0 HHAARO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1 ZINC000008185779 525591309 /nfs/dbraw/zinc/59/13/09/525591309.db2.gz VMSDJIMEUYVKAN-CVEARBPZSA-N 1 0 421.588 3.601 50 0 HHAARO c1c(C[NH2+]C[C@H]2COc3ccccc3O2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000032740383 526399923 /nfs/dbraw/zinc/39/99/23/526399923.db2.gz KVZMGTPGYMFIAD-QFIPXVFZSA-N 1 0 412.493 3.923 50 0 HHAARO c1ccc(N2CCC([N@H+]3CCC[C@H](N4CCN(c5ccccc5)CC4)C3)CC2)cc1 ZINC000019835724 526480571 /nfs/dbraw/zinc/48/05/71/526480571.db2.gz MAPRHSRCOWJUEF-SANMLTNESA-N 1 0 404.602 3.942 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899699 526492486 /nfs/dbraw/zinc/49/24/86/526492486.db2.gz OANSZYURNYWIGX-GGAORHGYSA-N 1 0 423.532 3.631 50 0 HHAARO O=C(CCc1nc(-c2ccccc2)no1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007448739 526645092 /nfs/dbraw/zinc/64/50/92/526645092.db2.gz OAWJCZBROCBKPW-UHFFFAOYSA-N 1 0 404.514 3.972 50 0 HHAARO O=S(=O)(NC1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cccs1 ZINC000032865330 527209701 /nfs/dbraw/zinc/20/97/01/527209701.db2.gz PKCPEZHSQWNSPU-UHFFFAOYSA-N 1 0 404.479 3.710 50 0 HHAARO COc1ccc([C@H]2CCCCC[N@@H+]2[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)cc1 ZINC000008747969 536938736 /nfs/dbraw/zinc/93/87/36/536938736.db2.gz LIFATGKQRGBHTA-DYESRHJHSA-N 1 0 407.514 3.986 50 0 HHAARO COc1ccccc1N1CC[NH+](C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000004703478 537068188 /nfs/dbraw/zinc/06/81/88/537068188.db2.gz HCEHYAPZNYHIRS-UHFFFAOYSA-N 1 0 413.949 3.775 50 0 HHAARO CCOc1ccccc1C[NH+]1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000000795500 557082801 /nfs/dbraw/zinc/08/28/01/557082801.db2.gz XQENKQDASGROHS-UHFFFAOYSA-N 1 0 421.585 3.642 50 0 HHAARO COc1ccccc1OCC[NH2+]C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000001530579 557271372 /nfs/dbraw/zinc/27/13/72/557271372.db2.gz OGHNVEJMJSYVRP-KRWDZBQOSA-N 1 0 406.482 3.738 50 0 aggregator,fda HHAARO O=C(C1CC1)N1C[C@H](C[NH+]2CCN(c3ccccc3)CC2)[C@H](c2cccc(F)c2)C1 ZINC000034698400 557381017 /nfs/dbraw/zinc/38/10/17/557381017.db2.gz CGNJPKMWWWMXMP-URXFXBBRSA-N 1 0 407.533 3.600 50 0 HHAARO COc1ccc(C[NH2+]CCNC(=O)c2ccccc2F)cc1OCc1ccccc1 ZINC000002851271 557404582 /nfs/dbraw/zinc/40/45/82/557404582.db2.gz OPYARQHVTPSKEJ-UHFFFAOYSA-N 1 0 408.473 3.933 50 0 HHAARO CC(C)CCn1c2ccccc2nc1N1CCC[C@@H](C(=O)NCC[NH+]2CCCC2)C1 ZINC000034906801 557474292 /nfs/dbraw/zinc/47/42/92/557474292.db2.gz IGHFWBVAXGDSBH-HXUWFJFHSA-N 1 0 411.594 3.511 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(CCc2ccccc2)n(-c2cccc(C)c2)n1 ZINC000034911795 557476381 /nfs/dbraw/zinc/47/63/81/557476381.db2.gz OWVSJKNKEJFUCX-JOCHJYFZSA-N 1 0 417.557 3.575 50 0 HHAARO CC[NH+]1CCN(c2nc(-c3ccccc3)ncc2C(=O)Nc2ccc(C)cc2)CC1 ZINC000034922063 557484076 /nfs/dbraw/zinc/48/40/76/557484076.db2.gz PQKOMBDBMMALAO-UHFFFAOYSA-N 1 0 401.514 3.846 50 0 HHAARO COc1ccc(CCN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)cc1OC ZINC000004177163 557525122 /nfs/dbraw/zinc/52/51/22/557525122.db2.gz XLJLIWMWBJUGMI-JOCHJYFZSA-N 1 0 410.558 3.925 50 0 HHAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000004261698 557532919 /nfs/dbraw/zinc/53/29/19/557532919.db2.gz VGLMEBSZWBJGQV-DEOSSOPVSA-N 1 0 405.586 3.722 50 0 HHAARO O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCC[NH+]1CCCCC1 ZINC000035399174 557550082 /nfs/dbraw/zinc/55/00/82/557550082.db2.gz LPNOTZWDQPUQOV-UHFFFAOYSA-N 1 0 420.985 3.966 50 0 HHAARO COc1cc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(N)=O ZINC000004618961 557573172 /nfs/dbraw/zinc/57/31/72/557573172.db2.gz IJWWXENHNDEFOY-QRYOHXEKSA-N 1 0 406.954 3.907 50 0 HHAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2ccc3oc4ccccc4c3c2)CC1 ZINC000004698370 557582768 /nfs/dbraw/zinc/58/27/68/557582768.db2.gz MKYGBJKJYWPJRH-UHFFFAOYSA-N 1 0 405.498 3.532 50 0 HHAARO CCCC[N@H+](C)CCCNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 ZINC000004757443 557594913 /nfs/dbraw/zinc/59/49/13/557594913.db2.gz IUCMMZDALJADMG-UHFFFAOYSA-N 1 0 418.607 3.760 50 0 HHAARO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2Br)C1 ZINC000005714992 557669920 /nfs/dbraw/zinc/66/99/20/557669920.db2.gz JPTRSILQIARTDQ-CQSZACIVSA-N 1 0 413.356 3.547 50 0 HHAARO C[C@@H](O)c1ccc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)cc1 ZINC000007541274 557746317 /nfs/dbraw/zinc/74/63/17/557746317.db2.gz BSYWTMGXAUWCMW-MRXNPFEDSA-N 1 0 421.526 3.858 50 0 HHAARO Cc1cc(=O)n2c(n1)NC(NCCc1c[nH]c3ccccc13)=[NH+][C@@H]2[C@H]1CC=CCC1 ZINC000009052909 557820625 /nfs/dbraw/zinc/82/06/25/557820625.db2.gz ONQFQSBELPLCJS-KKSFZXQISA-N 1 0 402.502 3.502 50 0 HHAARO OCC[C@@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000019740709 558261575 /nfs/dbraw/zinc/26/15/75/558261575.db2.gz JQBJJRDBJXBCJO-JOCHJYFZSA-N 1 0 410.562 3.718 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+]([C@H](C)CCSC)CC2)c(Cl)c1 ZINC000011663135 558266649 /nfs/dbraw/zinc/26/66/49/558266649.db2.gz QVAXJNHILKXKMW-OAHLLOKOSA-N 1 0 414.999 3.701 50 0 HHAARO O[C@H](Cn1c2ccccc2c2c1CCCC2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019757971 558274946 /nfs/dbraw/zinc/27/49/46/558274946.db2.gz QRHHLEHVTPUDHI-QFIPXVFZSA-N 1 0 403.570 3.699 50 0 HHAARO O=C(NC[C@H]1CCC2(CC[NH+](Cc3ccccn3)CC2)O1)c1ccc(F)cc1Cl ZINC000011786664 558276107 /nfs/dbraw/zinc/27/61/07/558276107.db2.gz VSGURLKEPPHHPI-GOSISDBHSA-N 1 0 417.912 3.818 50 0 HHAARO COCC(=O)NC[C@@H]1CCC2(CC[NH+](Cc3cccc(-c4ccccc4C)c3)CC2)O1 ZINC000011814377 558278861 /nfs/dbraw/zinc/27/88/61/558278861.db2.gz JDNUYZWOAJJNJN-QHCPKHFHSA-N 1 0 422.569 3.938 50 0 HHAARO C[NH+]1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccc(Cl)cc2)CC1 ZINC000019796769 558284452 /nfs/dbraw/zinc/28/44/52/558284452.db2.gz FPWOMLDRMCZCHE-OAQYLSRUSA-N 1 0 424.932 3.714 50 0 HHAARO Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cccn2-c2ncccn2)C1 ZINC000011842983 558287894 /nfs/dbraw/zinc/28/78/94/558287894.db2.gz HNWHZIKBMJEVNJ-QFIPXVFZSA-N 1 0 403.574 3.962 50 0 HHAARO O=C(c1nc2ccccn2c1C[NH2+]Cc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000019837148 558292965 /nfs/dbraw/zinc/29/29/65/558292965.db2.gz RNZFLTCFKQIOBN-UHFFFAOYSA-N 1 0 418.419 3.759 50 0 HHAARO C[C@@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000011911346 558296939 /nfs/dbraw/zinc/29/69/39/558296939.db2.gz XBPHFAJUQINSHC-OAHLLOKOSA-N 1 0 421.526 3.635 50 0 HHAARO COC(=O)c1sc2nc(C[N@H+](C)C(C)C)ccc2c1NC(=O)c1cncs1 ZINC000011971575 558304993 /nfs/dbraw/zinc/30/49/93/558304993.db2.gz FCEVKPSVHNKPTI-UHFFFAOYSA-N 1 0 404.517 3.632 50 0 HHAARO CN(C(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011999782 558307757 /nfs/dbraw/zinc/30/77/57/558307757.db2.gz OETAEOSXABOKHQ-HSZRJFAPSA-N 1 0 400.526 3.576 50 0 HHAARO COc1ccccc1CCNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(F)c1)CC2 ZINC000012135327 558333804 /nfs/dbraw/zinc/33/38/04/558333804.db2.gz KUBJHSWSOUNDAJ-OAQYLSRUSA-N 1 0 414.496 3.934 50 0 HHAARO CCn1ncc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c1C ZINC000020109474 558334774 /nfs/dbraw/zinc/33/47/74/558334774.db2.gz KQPOQBPHKVAOMU-JOCHJYFZSA-N 1 0 401.986 3.651 50 0 HHAARO COCCC[NH2+]Cc1cc2cc(OC)c(OC)cc2n(Cc2ccc(C)cc2)c1=O ZINC000012157818 558340951 /nfs/dbraw/zinc/34/09/51/558340951.db2.gz UTFSVJUOAGMWOX-UHFFFAOYSA-N 1 0 410.514 3.502 50 0 HHAARO Cc1ccccc1-c1ncc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cn1 ZINC000020207581 558347184 /nfs/dbraw/zinc/34/71/84/558347184.db2.gz MEMKUVHSMBDFLM-QHCPKHFHSA-N 1 0 402.542 3.521 50 0 HHAARO CO[C@H]1CCCN(C(=O)c2cc(C)ccc2OC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000012197216 558350342 /nfs/dbraw/zinc/35/03/42/558350342.db2.gz FYGKEPONFGFFSV-QFIPXVFZSA-N 1 0 423.557 3.684 50 0 HHAARO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)n1C ZINC000012197220 558350380 /nfs/dbraw/zinc/35/03/80/558350380.db2.gz CUVIFFLGVUQQLZ-GOSISDBHSA-N 1 0 405.502 3.767 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012210090 558353744 /nfs/dbraw/zinc/35/37/44/558353744.db2.gz LKILXATTWHWHQB-VWLOTQADSA-N 1 0 411.542 3.754 50 0 HHAARO COc1cccc(N2C[C@@H]3C[C@@H](c4cc(=O)c5ccccc5[nH]4)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012299623 558369511 /nfs/dbraw/zinc/36/95/11/558369511.db2.gz NFBSEFGNRWPFQS-PMHROOCVSA-N 1 0 415.493 3.891 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 ZINC000012304046 558373338 /nfs/dbraw/zinc/37/33/38/558373338.db2.gz QRKPYEDKQBSPGJ-REWPJTCUSA-N 1 0 412.574 3.898 50 0 HHAARO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000012306525 558375284 /nfs/dbraw/zinc/37/52/84/558375284.db2.gz OTAGIVVZHSLXFJ-FQEVSTJZSA-N 1 0 417.513 3.886 50 0 HHAARO CCOc1cc2c(cc1OC)[C@@H](c1cccc(I)c1)[NH2+]CC2 ZINC000020506555 558381782 /nfs/dbraw/zinc/38/17/82/558381782.db2.gz UPDPAIJDTMGEDP-GOSISDBHSA-N 1 0 409.267 3.934 50 0 HHAARO CC[N@@H+]1CCC[C@@H]1CN/C=C1\c2ccccc2C(=O)N(c2ccc(C)cc2C)C1=O ZINC000020517980 558383024 /nfs/dbraw/zinc/38/30/24/558383024.db2.gz HJNRRLPQEFSWQY-NDWLXSOOSA-N 1 0 403.526 3.905 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000012453694 558416660 /nfs/dbraw/zinc/41/66/60/558416660.db2.gz ODXLSAOQCAVKLT-UHFFFAOYSA-N 1 0 404.470 3.701 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@@H+]1CCCN(C=O)CC1 ZINC000012459117 558418585 /nfs/dbraw/zinc/41/85/85/558418585.db2.gz NWAOJYZUSZTRRA-UHFFFAOYSA-N 1 0 410.468 3.790 50 0 HHAARO Cc1n[nH]c(C)c1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020997383 558427062 /nfs/dbraw/zinc/42/70/62/558427062.db2.gz VLTXMUHRCMSUGV-UHFFFAOYSA-N 1 0 415.497 3.940 50 0 HHAARO COCCC[N@@H+](Cc1cccn1Cc1ccccc1)C[C@H](O)COCc1ccccc1 ZINC000004346776 558427606 /nfs/dbraw/zinc/42/76/06/558427606.db2.gz IZFDUTALZOIYRM-SANMLTNESA-N 1 0 422.569 3.953 50 0 HHAARO COc1ccc(C(=O)N(C)CC2CC[NH+](CCc3ccccc3OC)CC2)cc1F ZINC000012574914 558430636 /nfs/dbraw/zinc/43/06/36/558430636.db2.gz BMPQCIZWSKXOKA-UHFFFAOYSA-N 1 0 414.521 3.870 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2cccc(F)c2)CC1)c1ccc2c(c1)OCO2 ZINC000012578636 558431798 /nfs/dbraw/zinc/43/17/98/558431798.db2.gz PMKCXLBWZHYJDW-UHFFFAOYSA-N 1 0 422.460 3.840 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](CCCC(F)(F)F)CC2)c(Cl)c1 ZINC000012594953 558437069 /nfs/dbraw/zinc/43/70/69/558437069.db2.gz XYICAYDVTUNJHY-UHFFFAOYSA-N 1 0 422.875 3.902 50 0 HHAARO COc1ccc(CC(=O)N(C)[C@H]2CCC[N@H+](CCCc3ccccc3)C2)cc1OC ZINC000012702173 558448224 /nfs/dbraw/zinc/44/82/24/558448224.db2.gz JHUQQNTWLZEQLJ-QFIPXVFZSA-N 1 0 410.558 3.802 50 0 HHAARO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1ccccc1 ZINC000021807531 558450829 /nfs/dbraw/zinc/45/08/29/558450829.db2.gz XYHVSWJXZOASJB-FQEVSTJZSA-N 1 0 421.497 3.926 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(C)cc3)on2)[NH+](C)C)cc1OC ZINC000021807595 558450872 /nfs/dbraw/zinc/45/08/72/558450872.db2.gz KDTYFAODILMQRQ-LJQANCHMSA-N 1 0 409.486 3.700 50 0 HHAARO Cc1c([C@@H](C)[NH2+]Cc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc(F)cc1F ZINC000012710359 558451897 /nfs/dbraw/zinc/45/18/97/558451897.db2.gz XMYNVEZUZWBZJH-CQSZACIVSA-N 1 0 411.456 3.839 50 0 HHAARO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCCN(C(C)=O)CC2)c1 ZINC000012716680 558455453 /nfs/dbraw/zinc/45/54/53/558455453.db2.gz AQOYTGDADHJKBF-UHFFFAOYSA-N 1 0 404.514 3.602 50 0 HHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000012745963 558458137 /nfs/dbraw/zinc/45/81/37/558458137.db2.gz KPXNHULZNQUMOC-UHFFFAOYSA-N 1 0 418.541 3.505 50 0 HHAARO Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1C[N@H+](C)C[C@H]1COCCO1 ZINC000012835391 558477797 /nfs/dbraw/zinc/47/77/97/558477797.db2.gz WMUZQIPZKREFMR-IBGZPJMESA-N 1 0 413.468 3.973 50 0 HHAARO CCc1ccc([C@H](CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)[NH+](C)C)cc1 ZINC000022684591 558504350 /nfs/dbraw/zinc/50/43/50/558504350.db2.gz MUZLDWTVOFBNHH-IBGZPJMESA-N 1 0 402.922 3.635 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000013038336 558505642 /nfs/dbraw/zinc/50/56/42/558505642.db2.gz SRLQCJSYFQWYGZ-SFHVURJKSA-N 1 0 417.575 3.623 50 0 HHAARO Cc1nc2scc(-c3ccccc3)c2c(N2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC000022788367 558511633 /nfs/dbraw/zinc/51/16/33/558511633.db2.gz HGHHZXGOJCPJBT-UHFFFAOYSA-N 1 0 407.587 3.885 50 0 HHAARO CCOc1ccc(CN2CC[N@H+](Cc3cccc4cnccc43)C[C@@H]2CCO)cc1 ZINC000022852458 558517266 /nfs/dbraw/zinc/51/72/66/558517266.db2.gz MXOZGQXHQQEDIK-QHCPKHFHSA-N 1 0 405.542 3.702 50 0 HHAARO C[C@H](C(=O)Nc1ccc(Br)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022912711 558519958 /nfs/dbraw/zinc/51/99/58/558519958.db2.gz BCXBTHIQRSOAPV-QGZVFWFLSA-N 1 0 416.363 3.636 50 0 HHAARO COCc1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000022914471 558521128 /nfs/dbraw/zinc/52/11/28/558521128.db2.gz YXPAOVPHNNTSEM-DEOSSOPVSA-N 1 0 409.574 3.628 50 0 HHAARO COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022916439 558521635 /nfs/dbraw/zinc/52/16/35/558521635.db2.gz HSRVNDVTGWXJCD-QGZVFWFLSA-N 1 0 401.938 3.536 50 0 HHAARO O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000022916703 558521690 /nfs/dbraw/zinc/52/16/90/558521690.db2.gz HPCOUMLRYSZTCR-VWLOTQADSA-N 1 0 402.538 3.911 50 0 HHAARO OCC[C@H]1CN(Cc2ccc(Oc3ncccn3)cc2)CC[N@@H+]1CC1CCCCC1 ZINC000023145265 558538415 /nfs/dbraw/zinc/53/84/15/558538415.db2.gz JQBJJRDBJXBCJO-QFIPXVFZSA-N 1 0 410.562 3.718 50 0 HHAARO COc1ccc2[nH]c(CN3CC[N@H+](Cc4ccccc4C)[C@@H](CCO)C3)c(C)c2c1 ZINC000023358162 558551463 /nfs/dbraw/zinc/55/14/63/558551463.db2.gz YUMOPPHCFNXVKE-NRFANRHFSA-N 1 0 407.558 3.862 50 0 HHAARO CC(C)n1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cn1 ZINC000023361125 558552104 /nfs/dbraw/zinc/55/21/04/558552104.db2.gz XVZZYMNHLIPKHA-QFIPXVFZSA-N 1 0 401.986 3.904 50 0 HHAARO c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1C[NH2+]CCN1CCOCC1 ZINC000023479793 558559444 /nfs/dbraw/zinc/55/94/44/558559444.db2.gz HBDJNGRBXVARBW-UHFFFAOYSA-N 1 0 402.498 3.707 50 0 HHAARO O=C(NCc1cccnc1)c1cccc(OC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000023540826 558561216 /nfs/dbraw/zinc/56/12/16/558561216.db2.gz IXFCPDJZSHIZIV-UHFFFAOYSA-N 1 0 411.571 3.750 50 0 HHAARO O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000023740526 558572733 /nfs/dbraw/zinc/57/27/33/558572733.db2.gz APKLDFMHBHOALK-HXUWFJFHSA-N 1 0 408.477 3.762 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000023762568 558574745 /nfs/dbraw/zinc/57/47/45/558574745.db2.gz SISGFHBMKSDAPL-SFHVURJKSA-N 1 0 419.978 3.673 50 0 HHAARO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000023908468 558581067 /nfs/dbraw/zinc/58/10/67/558581067.db2.gz CLRXPTNMBCAPNK-DEOSSOPVSA-N 1 0 402.494 3.950 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cccnc2OCC(F)(F)F)[NH+]2CCCC2)cc1 ZINC000024538602 558600638 /nfs/dbraw/zinc/60/06/38/558600638.db2.gz MKDUCRSOCUDORT-SFHVURJKSA-N 1 0 423.435 3.598 50 0 HHAARO Cc1nn(Cc2ccc(C)cc2)c(C)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000014138856 558624551 /nfs/dbraw/zinc/62/45/51/558624551.db2.gz PDCPZSHPWZBTBO-QHCPKHFHSA-N 1 0 402.542 3.861 50 0 HHAARO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000072235916 558635332 /nfs/dbraw/zinc/63/53/32/558635332.db2.gz NKVOPFSWTHPADE-UHFFFAOYSA-N 1 0 418.335 3.530 50 0 HHAARO COc1ccc([C@H](C[NH2+]Cc2cc(Br)ccc2F)N2CCOCC2)cc1 ZINC000025262014 558636070 /nfs/dbraw/zinc/63/60/70/558636070.db2.gz JXPXGHKXGVCQEC-FQEVSTJZSA-N 1 0 423.326 3.760 50 0 HHAARO COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000014238442 558642584 /nfs/dbraw/zinc/64/25/84/558642584.db2.gz OALJIVLWVZBTOD-IFMALSPDSA-N 1 0 413.514 3.571 50 0 HHAARO COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000014239190 558642882 /nfs/dbraw/zinc/64/28/82/558642882.db2.gz AZBIKEUTFNSGNG-HSZRJFAPSA-N 1 0 419.525 3.668 50 0 HHAARO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C(C)C)C(=O)N3CCC(C)C)cc1 ZINC000014531331 558656262 /nfs/dbraw/zinc/65/62/62/558656262.db2.gz MBYBIZYKOYDEGM-UHFFFAOYSA-N 1 0 401.551 3.749 50 0 HHAARO CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000014541439 558660142 /nfs/dbraw/zinc/66/01/42/558660142.db2.gz GRSZIINNPCGRPN-LJQANCHMSA-N 1 0 407.558 3.629 50 0 HHAARO CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000014733473 558666145 /nfs/dbraw/zinc/66/61/45/558666145.db2.gz GBJCKEJYDCMEKP-UHFFFAOYSA-N 1 0 407.514 3.514 50 0 HHAARO O=C(NCCc1ccccc1)[C@H]1C[NH2+]C[C@@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014740448 558666506 /nfs/dbraw/zinc/66/65/06/558666506.db2.gz KCAUJMYAMSZVFU-ZWKOTPCHSA-N 1 0 406.448 3.669 50 0 HHAARO Cc1cccc(C[NH2+][C@H]2CCc3c(c(C(=O)N(C)C)nn3Cc3ccccc3)C2)c1 ZINC000014746108 558669209 /nfs/dbraw/zinc/66/92/09/558669209.db2.gz BFOGZZBCJLJBNI-NRFANRHFSA-N 1 0 402.542 3.589 50 0 HHAARO CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2Cc1ccccc1 ZINC000014747520 558669561 /nfs/dbraw/zinc/66/95/61/558669561.db2.gz ZAYFBGDGMHAGNQ-IBGZPJMESA-N 1 0 406.530 3.679 50 0 HHAARO CC(C)C[N@@H+]1C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C[C@H](C(=O)N2CCCCC2)C1 ZINC000014748627 558670022 /nfs/dbraw/zinc/67/00/22/558670022.db2.gz SZONJZNFKUOFCY-YADHBBJMSA-N 1 0 411.590 3.720 50 0 HHAARO CN(Cc1ccco1)C(=O)c1nn(C)c2c1C[C@@H]([NH2+]Cc1ccccc1Cl)CC2 ZINC000014750344 558670576 /nfs/dbraw/zinc/67/05/76/558670576.db2.gz JFMQNFQHOLLNKH-INIZCTEOSA-N 1 0 412.921 3.586 50 0 HHAARO CC(C)CN1C(=O)N(Cc2ccccn2)C(=O)C12CC[NH+](Cc1ccsc1)CC2 ZINC000014755920 558671988 /nfs/dbraw/zinc/67/19/88/558671988.db2.gz SUGRNIWERAXPPK-UHFFFAOYSA-N 1 0 412.559 3.598 50 0 HHAARO c1c(COc2ccc(C[NH2+]C[C@@H]3COc4ccccc4O3)cc2)nc2ccccn12 ZINC000027397946 558673111 /nfs/dbraw/zinc/67/31/11/558673111.db2.gz FDWJLFXCBYBYDM-OAQYLSRUSA-N 1 0 401.466 3.843 50 0 HHAARO COc1ccc([C@H](CNC(=O)[C@H](C)Oc2ccc(F)cc2)[NH+]2CCCCC2)cc1 ZINC000027667523 558680065 /nfs/dbraw/zinc/68/00/65/558680065.db2.gz ANKLGLQNOJMSSY-JTSKRJEESA-N 1 0 400.494 3.945 50 0 HHAARO CN(C(=O)c1cc2ccccc2oc1=O)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014948433 558680215 /nfs/dbraw/zinc/68/02/15/558680215.db2.gz VXOUDUDNWRLPEQ-OAQYLSRUSA-N 1 0 404.510 3.962 50 0 HHAARO Cc1cc(O[C@H](C)C(=O)NCC2([NH+]3CCN(C)CC3)CCCCC2)cc(C)c1Cl ZINC000027742378 558680723 /nfs/dbraw/zinc/68/07/23/558680723.db2.gz UYQYOTLBWKLVPW-LJQANCHMSA-N 1 0 422.013 3.791 50 0 HHAARO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)c2ccc(=O)[nH]n2)C2CCCC2)CC1 ZINC000014975674 558689099 /nfs/dbraw/zinc/68/90/99/558689099.db2.gz WEGFSIUZJGBBLJ-UHFFFAOYSA-N 1 0 422.573 3.830 50 0 HHAARO CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C)CC1 ZINC000028287524 558694699 /nfs/dbraw/zinc/69/46/99/558694699.db2.gz KOYPFIWBSNEQBX-NRFANRHFSA-N 1 0 415.965 3.847 50 0 HHAARO O=C(CCC1CCN(C(=O)C2=CCCCC2)CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000015072725 558713770 /nfs/dbraw/zinc/71/37/70/558713770.db2.gz ARJOCDVSDCPEHO-DEOSSOPVSA-N 1 0 423.601 3.896 50 0 HHAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2[nH]nc(-c3ccccc3F)c2C1 ZINC000015074204 558714976 /nfs/dbraw/zinc/71/49/76/558714976.db2.gz XIFPQWJVHHULAQ-INIZCTEOSA-N 1 0 408.477 3.606 50 0 HHAARO COc1cccc(C(=O)N2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c1 ZINC000015079773 558718422 /nfs/dbraw/zinc/71/84/22/558718422.db2.gz JCMLENXIUNEDRW-NRFANRHFSA-N 1 0 413.949 3.775 50 0 HHAARO COc1cc(C[C@H]2CC(C[NH2+]Cc3ccc(Cl)cc3)=NO2)c(OC)c2c1OCO2 ZINC000015081381 558719006 /nfs/dbraw/zinc/71/90/06/558719006.db2.gz KSIGJMIVEPCDIA-KRWDZBQOSA-N 1 0 418.877 3.563 50 0 HHAARO C[C@@H](NC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000016034003 558769234 /nfs/dbraw/zinc/76/92/34/558769234.db2.gz GAIXORVAXMXKSY-JSBMJGEESA-N 1 0 419.569 3.501 50 0 HHAARO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)NC(=O)[C@@H]2[C@H]2c3ccccc3C=CN12 ZINC000016038199 558769735 /nfs/dbraw/zinc/76/97/35/558769735.db2.gz PKMLOWTZPCFGRH-MLHJIOFPSA-N 1 0 423.266 3.771 50 0 HHAARO Cn1c2ccc([C@H](O)COc3ccc(C[NH2+]C4CCCCCC4)cc3)cc2n(C)c1=O ZINC000016363904 558788461 /nfs/dbraw/zinc/78/84/61/558788461.db2.gz RBMYEHHQSLMTBC-XMMPIXPASA-N 1 0 423.557 3.802 50 0 HHAARO CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000036576231 558799901 /nfs/dbraw/zinc/79/99/01/558799901.db2.gz HBIHILGQENLYSC-NTFDOXNWSA-N 1 0 407.599 3.698 50 0 HHAARO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(CSc4nccn4C)o3)C2)CC1 ZINC000060275154 558805935 /nfs/dbraw/zinc/80/59/35/558805935.db2.gz KYEFDGZDJQWJBS-GOSISDBHSA-N 1 0 416.591 3.890 50 0 HHAARO O=C(Cn1ncc2ccccc21)N1CC[C@@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000039359837 558820448 /nfs/dbraw/zinc/82/04/48/558820448.db2.gz HAZPLLJGAVBQNW-VWLOTQADSA-N 1 0 402.542 3.594 50 0 HHAARO COc1cccc(OCC[NH+]2CCN(c3ncnc4sc5c(c43)CCCC5)CC2)c1 ZINC000054074885 558865995 /nfs/dbraw/zinc/86/59/95/558865995.db2.gz VWMKFNUSFCFMBM-UHFFFAOYSA-N 1 0 424.570 3.780 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H]3CCC[N@@H+]3[C@@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000071325837 558866268 /nfs/dbraw/zinc/86/62/68/558866268.db2.gz YVUFEZLYZUOAFD-REIDKSKDSA-N 1 0 405.498 3.582 50 0 HHAARO Clc1ccc(Cn2ncc3c2ncnc3N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000054333071 558867515 /nfs/dbraw/zinc/86/75/15/558867515.db2.gz MMDXYLMCFFZMJQ-UHFFFAOYSA-N 1 0 418.932 3.850 50 0 HHAARO Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]([NH+]4CCN(c5ccccc5C)CC4)C3)c2c1 ZINC000055090755 558872082 /nfs/dbraw/zinc/87/20/82/558872082.db2.gz PTSUEFBWPBOWQO-HXUWFJFHSA-N 1 0 417.557 3.607 50 0 HHAARO CN(Cc1nccs1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000055183427 558875311 /nfs/dbraw/zinc/87/53/11/558875311.db2.gz UQAVEWSZATZHEC-FQEVSTJZSA-N 1 0 403.592 3.779 50 0 HHAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)N[C@H](C)c4ccccc4)c(C)c32)CC1 ZINC000033048365 558885511 /nfs/dbraw/zinc/88/55/11/558885511.db2.gz AEBZYQLFVCBGQD-MRXNPFEDSA-N 1 0 409.559 3.633 50 0 HHAARO CCC[NH+]1CCN(c2ncnc3sc(C(=O)Nc4ccc(F)cc4)c(C)c32)CC1 ZINC000033048371 558885643 /nfs/dbraw/zinc/88/56/43/558885643.db2.gz BUBQGWOFMPEOMC-UHFFFAOYSA-N 1 0 413.522 3.923 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)c1ccsc1 ZINC000057986442 558892496 /nfs/dbraw/zinc/89/24/96/558892496.db2.gz IIQIZWIYHKCJSS-HXUWFJFHSA-N 1 0 412.559 3.739 50 0 HHAARO Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)NCC[N@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000035397999 558893717 /nfs/dbraw/zinc/89/37/17/558893717.db2.gz UYAZVZQXNBLBRO-LEWJYISDSA-N 1 0 421.589 3.659 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2C)CC1 ZINC000058109331 558899407 /nfs/dbraw/zinc/89/94/07/558899407.db2.gz NJFJDDUSOHOYLO-PGRDOPGGSA-N 1 0 402.583 3.854 50 0 HHAARO CCOC(=O)C1C(C[NH+]2CCCCCCC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000058167072 558907320 /nfs/dbraw/zinc/90/73/20/558907320.db2.gz HSRYRNCPZDOBJJ-LJQANCHMSA-N 1 0 405.926 3.777 50 0 HHAARO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000004699683 558907415 /nfs/dbraw/zinc/90/74/15/558907415.db2.gz QECQVUFXCUWFBY-UHFFFAOYSA-N 1 0 400.394 3.909 50 0 HHAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CSc3ccccc3Cl)cc2)C1 ZINC000058300280 558917597 /nfs/dbraw/zinc/91/75/97/558917597.db2.gz YRKXYDMJNFFIQI-MRXNPFEDSA-N 1 0 417.962 3.768 50 0 HHAARO CCC[NH+](CCC)Cc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000058337586 558920207 /nfs/dbraw/zinc/92/02/07/558920207.db2.gz YEWFLKVTJBWUHZ-UHFFFAOYSA-N 1 0 406.596 3.853 50 0 HHAARO O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000058439131 558927310 /nfs/dbraw/zinc/92/73/10/558927310.db2.gz COROKTPUFIYLCT-KRWDZBQOSA-N 1 0 416.319 3.947 50 0 HHAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)Nc2ccc(F)c(Cl)c2)[nH+]1 ZINC000072119398 558928218 /nfs/dbraw/zinc/92/82/18/558928218.db2.gz MXBSWYRQUCOOGR-UHFFFAOYSA-N 1 0 406.893 3.801 50 0 HHAARO OCC[C@@H]1CN(Cc2cnn(-c3cccc(Cl)c3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000019595591 558946185 /nfs/dbraw/zinc/94/61/85/558946185.db2.gz HALIIDAOGDHSLF-HSZRJFAPSA-N 1 0 410.949 3.595 50 0 HHAARO Cc1nc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)cc(N2CCCCC2)[nH+]1 ZINC000065365469 558976415 /nfs/dbraw/zinc/97/64/15/558976415.db2.gz JDRGFNRVTPBCKZ-UHFFFAOYSA-N 1 0 412.513 3.577 50 0 HHAARO CN(Cc1nc(-c2ccccc2)no1)C(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000067601944 558987661 /nfs/dbraw/zinc/98/76/61/558987661.db2.gz DFCSGQLGSPXDQK-UHFFFAOYSA-N 1 0 408.477 3.746 50 0 HHAARO Cc1cccc(-c2noc(CNC(=O)C3CC[NH+](Cc4ccccc4F)CC3)n2)c1 ZINC000067601930 558987721 /nfs/dbraw/zinc/98/77/21/558987721.db2.gz CLCRRGKXPVPPLK-UHFFFAOYSA-N 1 0 408.477 3.713 50 0 HHAARO Cc1ccc(C[NH+]2CCC(C(=O)NCc3nc(-c4ccccc4C)no3)CC2)cc1 ZINC000067612775 558988877 /nfs/dbraw/zinc/98/88/77/558988877.db2.gz GLVYWMDAIKAPEW-UHFFFAOYSA-N 1 0 404.514 3.882 50 0 HHAARO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 ZINC000067614294 558989512 /nfs/dbraw/zinc/98/95/12/558989512.db2.gz CPSZCKGKUZHLRI-UHFFFAOYSA-N 1 0 410.539 3.791 50 0 HHAARO CCN1c2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097087492 558991004 /nfs/dbraw/zinc/99/10/04/558991004.db2.gz CYJAAWZUFFUJMN-QHCPKHFHSA-N 1 0 424.589 3.569 50 0 HHAARO O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000067847596 558993800 /nfs/dbraw/zinc/99/38/00/558993800.db2.gz PNJIUJKDJLPRDK-QGZVFWFLSA-N 1 0 405.420 3.899 50 0 HHAARO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CC[N@H+](C[C@H]2CCCc3ccccc32)C1 ZINC000097109077 558995195 /nfs/dbraw/zinc/99/51/95/558995195.db2.gz ZUKZVSRIWTYJHA-MSOLQXFVSA-N 1 0 406.505 3.760 50 0 HHAARO C[NH2+]C1CCN(C(=O)c2ccc3c(c2)n(CC2CC2)c(=O)n3C2CCCCC2)CC1 ZINC000077391465 559003484 /nfs/dbraw/zinc/00/34/84/559003484.db2.gz QSDLLZRBYVZGJR-UHFFFAOYSA-N 1 0 410.562 3.542 50 0 HHAARO CC(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000082108599 559038709 /nfs/dbraw/zinc/03/87/09/559038709.db2.gz XIURZMWYKOPQMS-HSZRJFAPSA-N 1 0 412.622 3.653 50 0 HHAARO Cc1ccc(CSc2nccc3c2ccn3CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000033298603 559047918 /nfs/dbraw/zinc/04/79/18/559047918.db2.gz IZIMZBRVWBPZCB-UHFFFAOYSA-N 1 0 408.571 3.849 50 0 HHAARO O=C(c1ccc(-c2nccnc2N2CCCC2)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000033313066 559055081 /nfs/dbraw/zinc/05/50/81/559055081.db2.gz PCUWDLAKPHAXGG-UHFFFAOYSA-N 1 0 419.573 3.834 50 0 HHAARO CC(C)C[NH+]1CCN(C(=O)c2ccc(-c3nccnc3N3CCCCC3)cc2)CC1 ZINC000033313153 559055183 /nfs/dbraw/zinc/05/51/83/559055183.db2.gz KUYCCIPXJKUVGT-UHFFFAOYSA-N 1 0 407.562 3.548 50 0 HHAARO O=C(/C=C/c1ccccc1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095378447 559080578 /nfs/dbraw/zinc/08/05/78/559080578.db2.gz ZGPPHBFLBAOTCA-ALOGVJLUSA-N 1 0 402.494 3.517 50 0 HHAARO O=C1CCC2(CC[NH+](C3CSCCSC3)CC2)CN1CCc1ccccc1 ZINC000095383665 559080725 /nfs/dbraw/zinc/08/07/25/559080725.db2.gz HEYNRVLAXTZNBU-UHFFFAOYSA-N 1 0 404.645 3.782 50 0 HHAARO Cc1cc(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)no1 ZINC000095524092 559085835 /nfs/dbraw/zinc/08/58/35/559085835.db2.gz MWBCPTRUXYRPJQ-JOCHJYFZSA-N 1 0 401.551 3.619 50 0 HHAARO Cc1ccc(SCc2cc(=O)[nH]c(N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000096839837 559112541 /nfs/dbraw/zinc/11/25/41/559112541.db2.gz NMIGAIIEXWLWIN-UHFFFAOYSA-N 1 0 406.555 3.693 50 0 HHAARO Cn1c(=O)cc(SCC(=O)NCCC[NH+]2CCCCCC2)c2ccc(Cl)cc21 ZINC000005008504 559226864 /nfs/dbraw/zinc/22/68/64/559226864.db2.gz LLDXVCFJFOJALW-UHFFFAOYSA-N 1 0 421.994 3.666 50 0 HHAARO C[NH+]1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccnc3)=NN12 ZINC000005033790 559231777 /nfs/dbraw/zinc/23/17/77/559231777.db2.gz QOYKQVGGUNBOMR-GOSISDBHSA-N 1 0 413.319 3.810 50 0 HHAARO Cc1ccc(CN(C(=O)c2ccco2)c2cccc(CC(=O)NCC[NH+](C)C)c2)cc1 ZINC000037601475 559255671 /nfs/dbraw/zinc/25/56/71/559255671.db2.gz PSISQNXVZMSPAI-UHFFFAOYSA-N 1 0 419.525 3.655 50 0 HHAARO C[NH+](C)[C@@H](CN1C(=O)c2ccccc2N[C@@]12c1ccccc1NC2=O)c1ccccc1 ZINC000100792619 559267341 /nfs/dbraw/zinc/26/73/41/559267341.db2.gz OYBOOSWHSZRNLY-DHLKQENFSA-N 1 0 412.493 3.662 50 0 biogenic HHAARO Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)cc1 ZINC000005190871 559291330 /nfs/dbraw/zinc/29/13/30/559291330.db2.gz LYNDQFHYJHQXQI-UHFFFAOYSA-N 1 0 403.573 3.653 50 0 HHAARO OC1CC[NH+](Cc2cccc(NCc3cccc(OCCn4ccnc4)c3)c2)CC1 ZINC000078869790 560540481 /nfs/dbraw/zinc/54/04/81/560540481.db2.gz BDDVIAGIKQNYLK-UHFFFAOYSA-N 1 0 406.530 3.531 50 0 HHAARO Cc1noc(COc2ccccc2OC[C@H](O)C[N@H+](Cc2ccccc2)C(C)C)n1 ZINC000003154775 560750038 /nfs/dbraw/zinc/75/00/38/560750038.db2.gz GYHQROWBQCPTKR-HXUWFJFHSA-N 1 0 411.502 3.607 50 0 HHAARO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccccc1Br ZINC000012197185 560891514 /nfs/dbraw/zinc/89/15/14/560891514.db2.gz XPTBHSDBERJIKJ-QGZVFWFLSA-N 1 0 417.303 3.745 50 0 HHAARO CCN(C(=O)Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106924946 560894545 /nfs/dbraw/zinc/89/45/45/560894545.db2.gz XSLRBRZZVPLYQG-DENIHFKCSA-N 1 0 423.561 3.608 50 0 HHAARO CCOc1ccc(C[N@@H+](Cc2cc(=O)n3nc(CC)sc3n2)CC(C)C)cc1 ZINC000046032485 568424766 /nfs/dbraw/zinc/42/47/66/568424766.db2.gz DVYOFASIWAVZQT-UHFFFAOYSA-N 1 0 400.548 3.770 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000048278986 568435887 /nfs/dbraw/zinc/43/58/87/568435887.db2.gz RGOQDHRZOFNZBQ-LJQANCHMSA-N 1 0 416.525 3.537 50 0 HHAARO COc1cc([C@H](C)[NH2+]Cc2ccc(OCc3cscn3)cc2)ccc1OCCO ZINC000048341026 568440403 /nfs/dbraw/zinc/44/04/03/568440403.db2.gz FIXHQPTVTXFIHC-INIZCTEOSA-N 1 0 414.527 3.953 50 0 HHAARO CSc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000012328351 568471988 /nfs/dbraw/zinc/47/19/88/568471988.db2.gz FMXDDIVMBJCQBG-IBGZPJMESA-N 1 0 411.571 3.718 50 0 HHAARO NC(=O)CC[NH+]1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041506 568473331 /nfs/dbraw/zinc/47/33/31/568473331.db2.gz OGAAPGIBCNGJKO-GOSISDBHSA-N 1 0 401.963 3.581 50 0 HHAARO O=C(NC[C@H]1COc2ccccc2O1)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604404774 568492441 /nfs/dbraw/zinc/49/24/41/568492441.db2.gz RRGKJNYBUYKZSF-PCCBWWKXSA-N 1 0 413.562 3.513 50 0 HHAARO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000000819291 568496783 /nfs/dbraw/zinc/49/67/83/568496783.db2.gz XFCSKJFZANUPHW-UHFFFAOYSA-N 1 0 412.530 3.670 50 0 HHAARO COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000000819266 568496840 /nfs/dbraw/zinc/49/68/40/568496840.db2.gz MNJPTULOOPCEPH-UHFFFAOYSA-N 1 0 412.530 3.549 50 0 HHAARO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000095399572 568604826 /nfs/dbraw/zinc/60/48/26/568604826.db2.gz LQDHRARTHKTZLT-MAUKXSAKSA-N 1 0 407.967 3.700 50 0 HHAARO COc1cc(-c2noc(C[N@H+](C(C)C)[C@@H]3CCCC[C@@H]3O)n2)ccc1OC(F)F ZINC000095435057 568609553 /nfs/dbraw/zinc/60/95/53/568609553.db2.gz MFWWLKNNZOSBRR-CABCVRRESA-N 1 0 411.449 3.861 50 0 HHAARO C[C@H]1C[C@H](C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)CCC1=O ZINC000095447030 568612258 /nfs/dbraw/zinc/61/22/58/568612258.db2.gz QMIZSJPTEGBPQM-PZJWPPBQSA-N 1 0 405.542 3.953 50 0 HHAARO Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CCc1nccn1C(F)F ZINC000095450997 568614531 /nfs/dbraw/zinc/61/45/31/568614531.db2.gz GUMZWAVDCANIAZ-ZDUSSCGKSA-N 1 0 409.481 3.900 50 0 HHAARO Cc1ccc2c(c1)-c1onc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c1CO2 ZINC000020509950 568620866 /nfs/dbraw/zinc/62/08/66/568620866.db2.gz ASFBQLYRPFXKEQ-UHFFFAOYSA-N 1 0 403.482 3.721 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1cccc(CNc2nccc(C)n2)c1)c1ccco1 ZINC000095467419 568624660 /nfs/dbraw/zinc/62/46/60/568624660.db2.gz HNVODDPTGBLQKZ-HXUWFJFHSA-N 1 0 407.518 3.803 50 0 HHAARO CC1(O)CC([C@H]2NC(c3ccc4ccc(-c5ccccc5)nc4c3)=C3C(=[NH2+])NC=CN32)C1 ZINC000095642832 568640608 /nfs/dbraw/zinc/64/06/08/568640608.db2.gz SNCOGHXMXNIMAS-GXJVVJEWSA-N 1 0 423.520 3.805 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 ZINC000020985627 568654961 /nfs/dbraw/zinc/65/49/61/568654961.db2.gz TTYLIACHJXVFPL-UHFFFAOYSA-N 1 0 413.587 3.858 50 0 HHAARO CCn1ccnc1CN1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020996212 568656891 /nfs/dbraw/zinc/65/68/91/568656891.db2.gz HQIWJRDYRQRZNN-HXUWFJFHSA-N 1 0 421.511 3.708 50 0 HHAARO CC[NH+](CC)CCOCCNC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 ZINC000095939102 568661348 /nfs/dbraw/zinc/66/13/48/568661348.db2.gz SVKRIQQIUSPJBG-UHFFFAOYSA-N 1 0 418.538 3.623 50 0 HHAARO COC(=O)[C@H]1CCCCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2Br)o1 ZINC000095941464 568661997 /nfs/dbraw/zinc/66/19/97/568661997.db2.gz FLZVHNUJTMWTCM-ZFWWWQNUSA-N 1 0 408.296 3.711 50 0 HHAARO COCCn1c(C)cc(O)c([C@H](c2ccc(Cl)cc2)[NH+]2CCC(C)CC2)c1=O ZINC000021097777 568665480 /nfs/dbraw/zinc/66/54/80/568665480.db2.gz DAXVHDVYJPVIBC-NRFANRHFSA-N 1 0 404.938 3.983 50 0 HHAARO Oc1ccc([C@@](O)(Cc2ccccc2)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000021170139 568676127 /nfs/dbraw/zinc/67/61/27/568676127.db2.gz KUHATIPKCXBPFU-UIOOFZCWSA-N 1 0 403.522 3.939 50 0 HHAARO O=C1Nc2cc(Br)ccc2[C@H]1C[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000095997225 568679151 /nfs/dbraw/zinc/67/91/51/568679151.db2.gz ZZWMEUORAUBYTE-DOTOQJQBSA-N 1 0 405.292 3.759 50 0 HHAARO Brc1cc(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cc2c1OCO2 ZINC000030907748 568687127 /nfs/dbraw/zinc/68/71/27/568687127.db2.gz VSNKYAYCRHRAJH-UHFFFAOYSA-N 1 0 400.276 3.712 50 0 HHAARO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CN2CCC[C@@H](C(F)(F)F)C2)C1=O ZINC000014075137 568719510 /nfs/dbraw/zinc/71/95/10/568719510.db2.gz ZZADYVRKUFQJNG-YLJYHZDGSA-N 1 0 405.420 3.839 50 0 HHAARO CC1CC[NH+](C[C@H](O)COc2ccc(Br)cc2Br)CC1 ZINC000012420320 568720457 /nfs/dbraw/zinc/72/04/57/568720457.db2.gz AFHXIRKJGRAZMB-ZDUSSCGKSA-N 1 0 407.146 3.683 50 0 HHAARO CCOC(=O)c1nc2onc(C)c2c(NCC2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000021646170 568728157 /nfs/dbraw/zinc/72/81/57/568728157.db2.gz IHBKYOJIKIWYEJ-UHFFFAOYSA-N 1 0 423.517 3.735 50 0 HHAARO CC(=O)Nc1ccc(-c2cc(C(=O)NCC[NH+]3CCCC3)c3ccccc3n2)cc1 ZINC000021662891 568736249 /nfs/dbraw/zinc/73/62/49/568736249.db2.gz NXRZWTJYWFKYJU-UHFFFAOYSA-N 1 0 402.498 3.686 50 0 HHAARO C[C@H](CC[NH+](C)C)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000253609936 568755073 /nfs/dbraw/zinc/75/50/73/568755073.db2.gz HBDQZJAFAVGPSS-MLQVDNDLSA-N 1 0 407.639 3.536 50 0 HHAARO Cc1cccc(CNc2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021930570 568761545 /nfs/dbraw/zinc/76/15/45/568761545.db2.gz GSVWSJWQFBPNMM-UHFFFAOYSA-N 1 0 419.577 3.739 50 0 HHAARO Cc1cccc(Nc2nc(N3CCC([NH+]4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021928827 568761588 /nfs/dbraw/zinc/76/15/88/568761588.db2.gz JQTNZPIXMUAEJS-UHFFFAOYSA-N 1 0 405.550 3.870 50 0 HHAARO CCn1ccc2sc(C)c(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2c1=O ZINC000097161497 568769145 /nfs/dbraw/zinc/76/91/45/568769145.db2.gz XFNUPQXRCWLRKM-UHFFFAOYSA-N 1 0 409.555 3.786 50 0 HHAARO CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000056903292 568821085 /nfs/dbraw/zinc/82/10/85/568821085.db2.gz KWNJDAAJXUHYPI-AABGKKOBSA-N 1 0 411.512 3.850 50 0 HHAARO COc1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000057099767 568824113 /nfs/dbraw/zinc/82/41/13/568824113.db2.gz FKTVMWWFWZQARA-JUXOCIIHSA-N 1 0 413.905 3.769 50 0 HHAARO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1 ZINC000057315522 568826840 /nfs/dbraw/zinc/82/68/40/568826840.db2.gz HLYPTPVLWFSIRW-LJQANCHMSA-N 1 0 401.510 3.948 50 0 HHAARO CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000057327208 568827031 /nfs/dbraw/zinc/82/70/31/568827031.db2.gz LQQQLJDRZBBNRX-HNNXBMFYSA-N 1 0 423.966 3.660 50 0 HHAARO Cc1nn(C)c2nc(C)c(C(=O)NC[C@@H](c3cccs3)[NH+]3CCC(C)CC3)cc12 ZINC000029754310 568828902 /nfs/dbraw/zinc/82/89/02/568828902.db2.gz VNCUEGVMYNPBHM-IBGZPJMESA-N 1 0 411.575 3.850 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cccs1 ZINC000230075859 568831416 /nfs/dbraw/zinc/83/14/16/568831416.db2.gz WAZDEYWLRCMYRY-CZAAIQMYSA-N 1 0 411.571 3.649 50 0 HHAARO CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012551247 568853137 /nfs/dbraw/zinc/85/31/37/568853137.db2.gz YAPLESTUCJFKDN-FPOVZHCZSA-N 1 0 415.509 3.517 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012551238 568853143 /nfs/dbraw/zinc/85/31/43/568853143.db2.gz YAPLESTUCJFKDN-TZIWHRDSSA-N 1 0 415.509 3.517 50 0 HHAARO CCCn1c(C[NH2+][C@@H](C)c2ccccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000012559449 568857069 /nfs/dbraw/zinc/85/70/69/568857069.db2.gz GAMQGVLSWZUWKZ-KRWDZBQOSA-N 1 0 414.575 3.856 50 0 HHAARO CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)C[NH2+]C(C)(C)C)ccc1Cl ZINC000012599788 568869692 /nfs/dbraw/zinc/86/96/92/568869692.db2.gz KGIMGNPPLXKLLI-UHFFFAOYSA-N 1 0 423.966 3.882 50 0 HHAARO C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2Br)C1 ZINC000035052998 568872482 /nfs/dbraw/zinc/87/24/82/568872482.db2.gz MTDASFVQYTWGOX-AAEUAGOBSA-N 1 0 407.146 3.683 50 0 HHAARO CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)C3 ZINC000299768134 568873898 /nfs/dbraw/zinc/87/38/98/568873898.db2.gz GKPNNWHLTJIBRE-INIZCTEOSA-N 1 0 421.570 3.861 50 0 HHAARO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)NCc2ccccc2)cc1 ZINC000004061883 568881600 /nfs/dbraw/zinc/88/16/00/568881600.db2.gz IYKRYPCAWRTXRE-HVCNVCAESA-N 1 0 408.542 3.680 50 0 biogenic HHAARO O=S(=O)(c1cccs1)N1CCC([NH+]2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217591585 568895625 /nfs/dbraw/zinc/89/56/25/568895625.db2.gz DSVYYOKLMDDGDF-UHFFFAOYSA-N 1 0 424.563 3.584 50 0 HHAARO CCc1ccc([C@H]([NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1 ZINC000083823592 568917702 /nfs/dbraw/zinc/91/77/02/568917702.db2.gz FBHYLITXKCFZDP-OAQYLSRUSA-N 1 0 406.523 3.717 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000012728104 568920769 /nfs/dbraw/zinc/92/07/69/568920769.db2.gz BVYROVAJBLKAKV-QFIPXVFZSA-N 1 0 416.525 3.625 50 0 HHAARO C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000012747445 568933600 /nfs/dbraw/zinc/93/36/00/568933600.db2.gz KMYGFNGHHTUQMR-LJQANCHMSA-N 1 0 409.530 3.604 50 0 HHAARO O=C(NCCCn1ccnc1)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000006445948 568936715 /nfs/dbraw/zinc/93/67/15/568936715.db2.gz GIVOPYHHSKYZIU-ZFWWWQNUSA-N 1 0 424.452 3.622 50 0 HHAARO O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000004082586 568939380 /nfs/dbraw/zinc/93/93/80/568939380.db2.gz VLFJMSSAAUTMQU-HKBOAZHASA-N 1 0 400.519 3.595 50 0 biogenic HHAARO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012780172 568957050 /nfs/dbraw/zinc/95/70/50/568957050.db2.gz YVBRVSFFJJXLFK-UHFFFAOYSA-N 1 0 423.557 3.870 50 0 HHAARO Cc1noc(C)c1COc1ccc(CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000007985682 568964561 /nfs/dbraw/zinc/96/45/61/568964561.db2.gz LEHLLFRASBBRPG-QFIPXVFZSA-N 1 0 419.525 3.804 50 0 HHAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000015681644 568968158 /nfs/dbraw/zinc/96/81/58/568968158.db2.gz CKMVAMCFAFFNPL-KRWDZBQOSA-N 1 0 409.509 3.715 50 0 HHAARO C[C@@H]([NH2+]C1CCCCCC1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008156978 568978407 /nfs/dbraw/zinc/97/84/07/568978407.db2.gz CVPSAFVTHWRSBR-QGZVFWFLSA-N 1 0 407.580 3.501 50 0 HHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008230690 568983924 /nfs/dbraw/zinc/98/39/24/568983924.db2.gz VCVGDGPQLZCLAB-FQEVSTJZSA-N 1 0 408.933 3.898 50 0 HHAARO Cc1ccc(S(=O)(=O)n2c3ccc(C)cc3c3c2CCN(C2CC[NH2+]CC2)C3)cc1 ZINC000085393336 568984904 /nfs/dbraw/zinc/98/49/04/568984904.db2.gz IJGQGLAGBDLVFE-UHFFFAOYSA-N 1 0 423.582 3.605 50 0 HHAARO Cc1cccc(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2)c1C ZINC000012810625 568984954 /nfs/dbraw/zinc/98/49/54/568984954.db2.gz BWEUUEODRDZOJU-HNNXBMFYSA-N 1 0 407.436 3.728 50 0 HHAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccc(Cl)cc1Cl ZINC000011697786 568986393 /nfs/dbraw/zinc/98/63/93/568986393.db2.gz TWIPKCPZYZMELG-UHFFFAOYSA-N 1 0 403.273 3.764 50 0 HHAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)N1CCC([C@@H](O)c3ccccc3)CC1)C[C@H](C)O2 ZINC000011841875 568987223 /nfs/dbraw/zinc/98/72/23/568987223.db2.gz XPTRGIZHCYWHAA-FNZWTVRRSA-N 1 0 422.569 3.940 50 0 HHAARO O=C(NC[C@H](c1cccnc1)N1CC[NH+](Cc2ccccc2)CC1)NC1CCCCC1 ZINC000038628415 569003756 /nfs/dbraw/zinc/00/37/56/569003756.db2.gz MZUOQMPONHUFRJ-XMMPIXPASA-N 1 0 421.589 3.572 50 0 HHAARO Cc1oc(-c2ccc(C(=O)NCC[NH+](C)C)cc2)nc1CN1CCc2ccccc21 ZINC000015785944 569006745 /nfs/dbraw/zinc/00/67/45/569006745.db2.gz HYTRBVXQLFENLU-UHFFFAOYSA-N 1 0 404.514 3.504 50 0 HHAARO COc1ccc2c(c1)C=C(C(=O)NCC[NH+]1CCC(Cc3ccccc3)CC1)CO2 ZINC000015786322 569007533 /nfs/dbraw/zinc/00/75/33/569007533.db2.gz MFKOSKKNKCDLJH-UHFFFAOYSA-N 1 0 406.526 3.542 50 0 HHAARO O=C(NCC[N@H+](CCc1ccccc1)Cc1ccco1)N[C@H]1COc2ccccc2C1 ZINC000015787327 569007901 /nfs/dbraw/zinc/00/79/01/569007901.db2.gz STGQYHAYOMRZSY-JOCHJYFZSA-N 1 0 419.525 3.627 50 0 HHAARO CC(C)(C)C[N@@H+]1CCN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@H]1CCO ZINC000104367791 569008544 /nfs/dbraw/zinc/00/85/44/569008544.db2.gz UYRROJFNQPSPQD-HXUWFJFHSA-N 1 0 402.970 3.712 50 0 HHAARO COc1ccc(CN2CCN(Cc3cccc(SC)c3)C[C@H]2CCO)c(F)c1 ZINC000104534342 569009041 /nfs/dbraw/zinc/00/90/41/569009041.db2.gz BVBRCFFEJDSXBO-LJQANCHMSA-N 1 0 404.551 3.625 50 0 HHAARO Cc1ccc(CN2CCN(Cc3nc4ccccc4n3CC(C)C)C[C@H]2CCO)o1 ZINC000104631412 569009047 /nfs/dbraw/zinc/00/90/47/569009047.db2.gz IDWBYHULMNZFKB-HXUWFJFHSA-N 1 0 410.562 3.663 50 0 HHAARO CCOc1ccc(C[N@@H+]2CCN(Cc3c[nH]nc3-c3ccccc3)C[C@H]2CCO)cc1 ZINC000104558936 569009093 /nfs/dbraw/zinc/00/90/93/569009093.db2.gz VZJSDKBTQGQFNB-HSZRJFAPSA-N 1 0 420.557 3.544 50 0 HHAARO COc1ccc(CN2CCN(Cc3ccc4cc(F)ccc4n3)C[C@H]2CCO)cc1C ZINC000107100173 569009255 /nfs/dbraw/zinc/00/92/55/569009255.db2.gz CXTRHKLLVOKKDK-HSZRJFAPSA-N 1 0 423.532 3.760 50 0 HHAARO O=C(N/C(=C\c1cccs1)C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000006222725 569033568 /nfs/dbraw/zinc/03/35/68/569033568.db2.gz UWVDMMIDZOJJIH-PYCFMQQDSA-N 1 0 423.582 3.996 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000035397959 569035003 /nfs/dbraw/zinc/03/50/03/569035003.db2.gz LTNFSNGXIZXJMD-RBBKRZOGSA-N 1 0 421.589 3.741 50 0 HHAARO Cc1cccc(C[NH+]2CCC3(CC2)N=C(c2ccc(Br)cc2)C(=O)N3)c1 ZINC000035430989 569037011 /nfs/dbraw/zinc/03/70/11/569037011.db2.gz DBIFBLYMZJDISQ-UHFFFAOYSA-N 1 0 412.331 3.669 50 0 HHAARO COc1ccc(NC(=O)[C@@H]2C[C@@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000064197649 569045893 /nfs/dbraw/zinc/04/58/93/569045893.db2.gz AMUPFGDCAJZQCJ-ICPLQIHGSA-N 1 0 411.477 3.645 50 0 HHAARO CCNC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035871204 569064011 /nfs/dbraw/zinc/06/40/11/569064011.db2.gz PCQKJBXXDHGCIA-PZJWPPBQSA-N 1 0 417.475 3.705 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cc3ccccc3cc2OC)[NH+](C)C)cc1OC ZINC000006561013 569066055 /nfs/dbraw/zinc/06/60/55/569066055.db2.gz NAZQJDCWYPKVGG-FQEVSTJZSA-N 1 0 408.498 3.898 50 0 HHAARO Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccc12 ZINC000006659842 569084062 /nfs/dbraw/zinc/08/40/62/569084062.db2.gz DFHAUGGHFUPTDP-HNNXBMFYSA-N 1 0 400.519 3.603 50 0 HHAARO Cc1ccc(C)c(CN(Cc2nc(C(=O)NCC[NH+](C)C)co2)Cc2ccccc2)c1 ZINC000036073737 569086866 /nfs/dbraw/zinc/08/68/66/569086866.db2.gz ZRQSHAKUDLWBEU-UHFFFAOYSA-N 1 0 420.557 3.785 50 0 HHAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H](O)COCC(C)C)cc1OC ZINC000036096010 569090069 /nfs/dbraw/zinc/09/00/69/569090069.db2.gz IVYFEPITMXGQEA-OAQYLSRUSA-N 1 0 405.510 3.879 50 0 HHAARO Cc1cccc(N2CCN(C(=O)C3=CC[N@H+](Cc4cccc(F)c4)CC3)CC2)c1C ZINC000064818076 569101288 /nfs/dbraw/zinc/10/12/88/569101288.db2.gz MDFBFYJKSOATBI-UHFFFAOYSA-N 1 0 407.533 3.923 50 0 HHAARO Cc1ccc(NC(=O)N2CCC(CC(=O)NCC[NH+]3CCCCCC3)CC2)cc1 ZINC000064847200 569108297 /nfs/dbraw/zinc/10/82/97/569108297.db2.gz AHQBZXNCRSNVAP-UHFFFAOYSA-N 1 0 400.567 3.621 50 0 HHAARO CC1CC[NH+](CCNC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)CC1 ZINC000064919448 569120845 /nfs/dbraw/zinc/12/08/45/569120845.db2.gz IVRXYAMLBWMDFW-UHFFFAOYSA-N 1 0 407.493 3.535 50 0 HHAARO O=C(NCC[NH+]1CCCCCC1)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1 ZINC000064919443 569120882 /nfs/dbraw/zinc/12/08/82/569120882.db2.gz XCPXQVXNVVXBFC-UHFFFAOYSA-N 1 0 407.493 3.679 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000036341604 569141957 /nfs/dbraw/zinc/14/19/57/569141957.db2.gz KPTYIQGOLKROOW-JOCHJYFZSA-N 1 0 410.949 3.655 50 0 HHAARO C[NH+](C)[C@H](CN1C(=O)c2ccccc2N[C@]12c1ccccc1NC2=O)c1ccccc1 ZINC000036369837 569153794 /nfs/dbraw/zinc/15/37/94/569153794.db2.gz OYBOOSWHSZRNLY-RCZVLFRGSA-N 1 0 412.493 3.662 50 0 biogenic HHAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCCN(c2ncc(-c3ccc(C)cc3)cn2)C1 ZINC000065023287 569154852 /nfs/dbraw/zinc/15/48/52/569154852.db2.gz VPJZEJKXIKBTFA-OAQYLSRUSA-N 1 0 409.578 3.517 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065136471 569183385 /nfs/dbraw/zinc/18/33/85/569183385.db2.gz NBYGLADCNQZALG-MOPGFXCFSA-N 1 0 418.557 3.840 50 0 HHAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 ZINC000065136474 569183405 /nfs/dbraw/zinc/18/34/05/569183405.db2.gz NBYGLADCNQZALG-OALUTQOASA-N 1 0 418.557 3.840 50 0 HHAARO O=C(Cn1ccc2cc(Br)ccc21)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000036584392 569202988 /nfs/dbraw/zinc/20/29/88/569202988.db2.gz SQCUUNGZPMCNPU-SJLPKXTDSA-N 1 0 404.352 3.785 50 0 HHAARO CCCC[NH+]1CCN(C(=O)c2ccc3c(c2)Sc2ncccc2C(=O)N3CC)CC1 ZINC000065241370 569204110 /nfs/dbraw/zinc/20/41/10/569204110.db2.gz ORVFXKSXTZWRAB-UHFFFAOYSA-N 1 0 424.570 3.771 50 0 HHAARO CCCOc1ccc(Br)cc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000007126243 569223488 /nfs/dbraw/zinc/22/34/88/569223488.db2.gz NYSLPPAOCXOEQG-INIZCTEOSA-N 1 0 400.280 3.684 50 0 HHAARO CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007191852 569228091 /nfs/dbraw/zinc/22/80/91/569228091.db2.gz RDSJYKRISOPYFL-HDICACEKSA-N 1 0 418.607 3.709 50 0 HHAARO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccc(OC)c(OC)c2)c1C ZINC000007266233 569230961 /nfs/dbraw/zinc/23/09/61/569230961.db2.gz QCPCXIMYFDIZFH-HNNXBMFYSA-N 1 0 402.491 3.529 50 0 HHAARO COc1ccc(Br)cc1CN(C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000007266335 569230986 /nfs/dbraw/zinc/23/09/86/569230986.db2.gz IREPPFPNJFJYES-CQSZACIVSA-N 1 0 403.320 3.867 50 0 HHAARO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000065474276 569231209 /nfs/dbraw/zinc/23/12/09/569231209.db2.gz SHTFPMVMGLVGSN-VNHYZAJKSA-N 1 0 419.360 3.614 50 0 HHAARO COc1ccc([C@@H](CN2CCCC2)[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cc1 ZINC000170595423 569241449 /nfs/dbraw/zinc/24/14/49/569241449.db2.gz IIKJLPYIJHMAMQ-JOCHJYFZSA-N 1 0 403.567 3.679 50 0 HHAARO COc1cc(C)c(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc1OC ZINC000170599574 569242824 /nfs/dbraw/zinc/24/28/24/569242824.db2.gz BHTGGWLVFILRJG-MRXNPFEDSA-N 1 0 408.420 3.926 50 0 HHAARO CCC[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3F)c(OCC)c2)CC1 ZINC000170606083 569244389 /nfs/dbraw/zinc/24/43/89/569244389.db2.gz WGGDMXUEFVQZJK-UHFFFAOYSA-N 1 0 415.509 3.774 50 0 HHAARO COCCn1c(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc2cc(Cl)ccc21 ZINC000170613457 569246874 /nfs/dbraw/zinc/24/68/74/569246874.db2.gz IRHKNBAMMUEENP-LPHOPBHVSA-N 1 0 403.954 3.935 50 0 HHAARO COc1cc(C(C)=O)ccc1OCC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000170629025 569250748 /nfs/dbraw/zinc/25/07/48/569250748.db2.gz YXAJIHDEMYCKBQ-QGZVFWFLSA-N 1 0 410.514 3.618 50 0 HHAARO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccnc(Cl)c3F)CC2)c1 ZINC000089672751 569262231 /nfs/dbraw/zinc/26/22/31/569262231.db2.gz JUSYQBFRPWKHLC-UHFFFAOYSA-N 1 0 404.917 3.515 50 0 HHAARO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)N(C)Cc1ccccc1OC ZINC000089942107 569269379 /nfs/dbraw/zinc/26/93/79/569269379.db2.gz RLJCBWXLEYHIRN-OAQYLSRUSA-N 1 0 405.926 3.539 50 0 HHAARO COCCn1c(C)cc(O)c([C@H](c2cccc(Cl)c2)[NH+]2CCC(C)CC2)c1=O ZINC000016993370 569270893 /nfs/dbraw/zinc/27/08/93/569270893.db2.gz ZEQNIIMYVLUAGM-NRFANRHFSA-N 1 0 404.938 3.983 50 0 HHAARO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000252022269 569272894 /nfs/dbraw/zinc/27/28/94/569272894.db2.gz ZIXHHZJJVCNDCX-JPYJTQIMSA-N 1 0 403.530 3.796 50 0 HHAARO FC(F)(F)c1cccc(N2CCN(C3CC[NH+](CC4CCOCC4)CC3)CC2)c1 ZINC000252480132 569288920 /nfs/dbraw/zinc/28/89/20/569288920.db2.gz BWKPGDRTPSLARJ-UHFFFAOYSA-N 1 0 411.512 3.718 50 0 HHAARO Cc1oc2c(c1C(=O)NCC[C@@H](C)[NH+]1CCCC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291987 569364368 /nfs/dbraw/zinc/36/43/68/569364368.db2.gz XUTYKLMRLLKZSR-QGZVFWFLSA-N 1 0 413.537 3.890 50 0 HHAARO CC(C)(C)c1ccc(C(=O)NCC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000027605944 569375987 /nfs/dbraw/zinc/37/59/87/569375987.db2.gz KJFWBSJRQGPDSB-IBGZPJMESA-N 1 0 413.587 3.729 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OC)c1 ZINC000002421781 569398194 /nfs/dbraw/zinc/39/81/94/569398194.db2.gz KZBOAUAIAGOSIR-NRFANRHFSA-N 1 0 406.482 3.689 50 0 HHAARO Fc1cccc2ncnc(N3CC[NH+](CCCc4nc(-c5cccs5)no4)CC3)c12 ZINC000078806361 569420534 /nfs/dbraw/zinc/42/05/34/569420534.db2.gz LBSXHVBMJAHZGY-UHFFFAOYSA-N 1 0 424.505 3.635 50 0 HHAARO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000079046114 569425104 /nfs/dbraw/zinc/42/51/04/569425104.db2.gz SIXCHSTYCOPRDB-AVRDEDQJSA-N 1 0 421.545 3.591 50 0 HHAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cn(-c2ccccc2)c(=O)c2ccccc12 ZINC000079193385 569429470 /nfs/dbraw/zinc/42/94/70/569429470.db2.gz QKMHQQXXJNRXHN-YADARESESA-N 1 0 415.537 3.985 50 0 biogenic HHAARO CCOC(=O)C[C@@H](NC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)c1ccccc1 ZINC000008607930 571092988 /nfs/dbraw/zinc/09/29/88/571092988.db2.gz PRHNPNLYOGNCGQ-JOCHJYFZSA-N 1 0 415.578 3.834 50 0 HHAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccccc1SCc1ccc(F)cc1 ZINC000670473389 571105850 /nfs/dbraw/zinc/10/58/50/571105850.db2.gz MVCVYKBXPNDQLF-LJQANCHMSA-N 1 0 402.535 3.695 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)[NH+]2CCCCC2)cc1 ZINC000008867639 571129348 /nfs/dbraw/zinc/12/93/48/571129348.db2.gz DGKIEZUGTSMSOJ-OAQYLSRUSA-N 1 0 406.482 3.759 50 0 HHAARO COc1ccc(OCCC[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000008879886 571131392 /nfs/dbraw/zinc/13/13/92/571131392.db2.gz JBTWVEODIWLHDH-UHFFFAOYSA-N 1 0 412.486 3.544 50 0 HHAARO CN(C)C1(C[NH2+]C[C@@H](O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1 ZINC000039939564 571135086 /nfs/dbraw/zinc/13/50/86/571135086.db2.gz FBVDUDWRHCXGOI-JOCHJYFZSA-N 1 0 410.558 3.511 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=O)c3cnn(Cc4ccccc4Cl)c3)cc2)CC1 ZINC000040015810 571138743 /nfs/dbraw/zinc/13/87/43/571138743.db2.gz HSOUVDLCFBDKEM-UHFFFAOYSA-N 1 0 409.921 3.589 50 0 HHAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1F ZINC000008893346 571143094 /nfs/dbraw/zinc/14/30/94/571143094.db2.gz YLFWZWWLHLRHTG-IBGZPJMESA-N 1 0 403.523 3.868 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1OC ZINC000008901159 571144538 /nfs/dbraw/zinc/14/45/38/571144538.db2.gz ZSXKIKQPFAOICS-SFHVURJKSA-N 1 0 424.588 3.661 50 0 HHAARO COc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+]2CCCCCC2)cc1C ZINC000008901312 571144576 /nfs/dbraw/zinc/14/45/76/571144576.db2.gz YHDXFRQXYIGQSG-IBGZPJMESA-N 1 0 408.589 3.961 50 0 HHAARO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000040071869 571152320 /nfs/dbraw/zinc/15/23/20/571152320.db2.gz KHTFWAWYEABQBL-NRFANRHFSA-N 1 0 407.518 3.718 50 0 HHAARO Cc1ccc(-n2cnnc2SCC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1 ZINC000040089266 571159105 /nfs/dbraw/zinc/15/91/05/571159105.db2.gz FIMYMRSZNFTOFW-FQEVSTJZSA-N 1 0 415.607 3.541 50 0 HHAARO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)NCc1ccc2c(c1)OCO2 ZINC000040150038 571198478 /nfs/dbraw/zinc/19/84/78/571198478.db2.gz BMDFZRATMIRXRR-QFIPXVFZSA-N 1 0 409.530 3.688 50 0 HHAARO CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccc(C[N@H+](C)C(C)C)cc1 ZINC000040156444 571203357 /nfs/dbraw/zinc/20/33/57/571203357.db2.gz HARZTEAIRXPEDL-CVDCTZTESA-N 1 0 409.574 3.988 50 0 HHAARO COc1ccc(-n2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c3ccccc3c2=O)cc1 ZINC000009433772 571258596 /nfs/dbraw/zinc/25/85/96/571258596.db2.gz MYHKXXARHDPVAU-GOSISDBHSA-N 1 0 419.525 3.604 50 0 HHAARO COC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c1 ZINC000009513310 571264557 /nfs/dbraw/zinc/26/45/57/571264557.db2.gz UFNSBUCSEMSOOD-QFIPXVFZSA-N 1 0 405.494 3.934 50 0 HHAARO COc1ccc([C@H](CNC(=O)c2cncc(Br)c2)[NH+]2CCCCC2)cc1 ZINC000009516076 571264983 /nfs/dbraw/zinc/26/49/83/571264983.db2.gz VLJNMINLRJKKMY-IBGZPJMESA-N 1 0 418.335 3.810 50 0 HHAARO CN(CC(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1nc2c(cccc2F)s1 ZINC000070973680 571283929 /nfs/dbraw/zinc/28/39/29/571283929.db2.gz UOBPMUPQULRMTE-UHFFFAOYSA-N 1 0 412.534 3.652 50 0 HHAARO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(=O)Nc1cccc2ccccc21 ZINC000009753466 571284272 /nfs/dbraw/zinc/28/42/72/571284272.db2.gz ZMMANBFQEOMRIA-LJQANCHMSA-N 1 0 403.526 3.789 50 0 HHAARO O=C(Cn1ccc2c1ccnc2SCc1ccccc1)NCCC[NH+]1CCCC1 ZINC000033298625 571316129 /nfs/dbraw/zinc/31/61/29/571316129.db2.gz IPPYXEVKAGSXIZ-UHFFFAOYSA-N 1 0 408.571 3.931 50 0 HHAARO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)nc1C ZINC000011820119 962199102 /nfs/dbraw/zinc/19/91/02/962199102.db2.gz YDEAGFNIGFKKBC-LJQANCHMSA-N 1 0 404.518 3.643 50 0 HHAARO FC(F)(F)c1ccc(-c2noc(CN3CCC([NH+]4CCSCC4)CC3)n2)cc1 ZINC000011843196 962202410 /nfs/dbraw/zinc/20/24/10/962202410.db2.gz SOTRCMLWIULBNZ-UHFFFAOYSA-N 1 0 412.481 3.769 50 0 HHAARO C[C@@H]1C[N@H+](CCC(=O)N2CCC[C@@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000011910227 962207056 /nfs/dbraw/zinc/20/70/56/962207056.db2.gz AHEOTJSPZQIZCU-DENIHFKCSA-N 1 0 406.526 3.781 50 0 HHAARO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc3nsnc3c2)CC1)C1CCCC1 ZINC000011934686 962210918 /nfs/dbraw/zinc/21/09/18/962210918.db2.gz GXHGNVDKZRZMPC-UHFFFAOYSA-N 1 0 410.547 3.854 50 0 HHAARO O=C(c1ccncc1)N(Cc1ccc(OCC[NH+]2CCCCC2)cc1)C[C@@H]1CCCO1 ZINC000011999434 962221860 /nfs/dbraw/zinc/22/18/60/962221860.db2.gz PSKFUFKYVUZKLM-DEOSSOPVSA-N 1 0 423.557 3.768 50 0 HHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(-c3nccc(-c4ccco4)n3)c2C(C)C)C1 ZINC000012027804 962224053 /nfs/dbraw/zinc/22/40/53/962224053.db2.gz XUNZOTBJTYVCCQ-KRWDZBQOSA-N 1 0 422.533 3.602 50 0 HHAARO C[C@H](CNC(=O)/C=C/c1cccc(F)c1)Oc1cccc(C[NH+]2CCSCC2)c1 ZINC000012053585 962229837 /nfs/dbraw/zinc/22/98/37/962229837.db2.gz XNOXUVFOBVXYBB-GFOMBABLSA-N 1 0 414.546 3.971 50 0 HHAARO O=C(CCC1CC[NH+](Cc2ccc3nonc3c2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000012092063 962237302 /nfs/dbraw/zinc/23/73/02/962237302.db2.gz RPZXVHTZPDHKMB-UHFFFAOYSA-N 1 0 422.485 3.625 50 0 HHAARO CC(C)CC[NH+]1CCC2(CC1)c1ccccc1[C@@H](NC(=O)COc1ccccc1)[C@@H]2O ZINC000012205197 962253460 /nfs/dbraw/zinc/25/34/60/962253460.db2.gz CNQNFCNTSVUZFN-RPBOFIJWSA-N 1 0 422.569 3.677 50 0 HHAARO O=c1c2c3c(sc2ncn1Cc1ccccn1)C[C@@H]([NH2+]CCc1ccccc1)CC3 ZINC000012218734 962255997 /nfs/dbraw/zinc/25/59/97/962255997.db2.gz NCDRVEOQGSNCFJ-SFHVURJKSA-N 1 0 416.550 3.591 50 0 HHAARO Cc1nc2sccn2c1C[NH+]1CCC2(C[C@H]2C(=O)N2CCc3ccccc3C2)CC1 ZINC000012246426 962257388 /nfs/dbraw/zinc/25/73/88/962257388.db2.gz WFCKEDONVDQWJS-FQEVSTJZSA-N 1 0 420.582 3.891 50 0 HHAARO CCCC[C@H]1C[N@H+](CCC(=O)NCc2cn3ccccc3n2)Cc2ccccc2O1 ZINC000012244175 962257479 /nfs/dbraw/zinc/25/74/79/962257479.db2.gz JFXLYMAPSWZBQO-NRFANRHFSA-N 1 0 406.530 3.794 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(C[C@H]2CCCO2)C(=O)C2CCOCC2)CC1 ZINC000012304230 962268389 /nfs/dbraw/zinc/26/83/89/962268389.db2.gz CDGMTSWNGSKFNX-XMMPIXPASA-N 1 0 414.590 3.641 50 0 HHAARO COc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)c3c[nH]nc3-c3cccc(F)c3)C2)c1 ZINC000012433975 962278804 /nfs/dbraw/zinc/27/88/04/962278804.db2.gz VHPVLUDDAXPWNQ-LJQANCHMSA-N 1 0 408.477 3.619 50 0 HHAARO Cc1cc(S(=O)(=O)N2CCC[C@H]([N@H+](C)CCc3ccccn3)C2)c(C)cc1Cl ZINC000012434547 962279363 /nfs/dbraw/zinc/27/93/63/962279363.db2.gz LAPZPUGWSBIQQC-IBGZPJMESA-N 1 0 421.994 3.679 50 0 HHAARO COc1ccc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(OC)c1 ZINC000012572437 962293014 /nfs/dbraw/zinc/29/30/14/962293014.db2.gz AQPREOMZFLPOKD-UHFFFAOYSA-N 1 0 412.534 3.866 50 0 HHAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000012571633 962293191 /nfs/dbraw/zinc/29/31/91/962293191.db2.gz IZBOBCVICSPNKG-HSZRJFAPSA-N 1 0 405.542 3.593 50 0 HHAARO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cccn2-c2ncccn2)c1 ZINC000012596888 962298996 /nfs/dbraw/zinc/29/89/96/962298996.db2.gz XYBJPKOHONQJQX-FQEVSTJZSA-N 1 0 406.440 3.898 50 0 HHAARO CN(C)C(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]Cc1cccc(Cl)c1)CC2 ZINC000014749967 962567754 /nfs/dbraw/zinc/56/77/54/962567754.db2.gz LDYHQPQQLKBZQH-HXUWFJFHSA-N 1 0 422.960 3.934 50 0 HHAARO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014754568 962569627 /nfs/dbraw/zinc/56/96/27/962569627.db2.gz JLYXVYARVLCERC-QGZVFWFLSA-N 1 0 411.571 3.820 50 0 HHAARO CC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@@H+](Cc1ccc(-c3ccco3)cc1)CC2 ZINC000014950512 962612938 /nfs/dbraw/zinc/61/29/38/962612938.db2.gz SLARTPYQDGFRHH-OAQYLSRUSA-N 1 0 421.545 3.820 50 0 HHAARO Cc1csc(C[N@@H+](C)[C@@H]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000014965744 962614270 /nfs/dbraw/zinc/61/42/70/962614270.db2.gz WMDDMEQNLBPIGF-OAHLLOKOSA-N 1 0 421.950 3.847 50 0 HHAARO CC[NH2+][C@H]1CCc2c(sc3ncn(Cc4cccc(C(F)(F)F)c4)c(=O)c23)C1 ZINC000015073072 962647283 /nfs/dbraw/zinc/64/72/83/962647283.db2.gz BPHQHWQMNGESCW-AWEZNQCLSA-N 1 0 407.461 3.992 50 0 HHAARO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000019794994 963374853 /nfs/dbraw/zinc/37/48/53/963374853.db2.gz WTXQTXFLCNYJEU-IBGZPJMESA-N 1 0 418.541 3.529 50 0 HHAARO COc1ccc(F)c([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCC[N@H+]24)c1 ZINC000020207753 963384801 /nfs/dbraw/zinc/38/48/01/963384801.db2.gz XMBQAQFJJRDWMU-JBUDQFAYSA-N 1 0 410.489 3.781 50 0 HHAARO C[NH+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCc1nc2ccccc2[nH]1 ZINC000020868376 963398983 /nfs/dbraw/zinc/39/89/83/963398983.db2.gz UIGYGHZTUFLJOZ-UHFFFAOYSA-N 1 0 414.509 3.987 50 0 HHAARO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(OC)cc4F)[N@@H+]4CCC[C@@]34C2=O)cc1 ZINC000020915575 963403090 /nfs/dbraw/zinc/40/30/90/963403090.db2.gz SFPUNIYHBKSXDS-OWSXEPHWSA-N 1 0 410.489 3.781 50 0 HHAARO C[N@@H+](Cc1cc2ccc(F)cc2n(Cc2ccncc2)c1=O)C[C@@H](O)c1ccccc1 ZINC000023129127 963772306 /nfs/dbraw/zinc/77/23/06/963772306.db2.gz TWPQOYFHDOVDEM-XMMPIXPASA-N 1 0 417.484 3.749 50 0 HHAARO CN(Cc1nccs1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000055195679 965781119 /nfs/dbraw/zinc/78/11/19/965781119.db2.gz TYTDMXQGAITOOJ-NRFANRHFSA-N 1 0 411.571 3.647 50 0 HHAARO CN(Cc1nccs1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000055195675 965781528 /nfs/dbraw/zinc/78/15/28/965781528.db2.gz TYTDMXQGAITOOJ-OAQYLSRUSA-N 1 0 411.571 3.647 50 0 HHAARO COc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)s3)C2)cc1OC ZINC000055325161 965818611 /nfs/dbraw/zinc/81/86/11/965818611.db2.gz HFHVUMHYWXULLZ-QGZVFWFLSA-N 1 0 402.564 3.837 50 0 HHAARO C[C@@H]1C[N@H+](CCC(=O)N2CCC[C@H](C(=O)c3ccccc3)C2)Cc2ccccc2O1 ZINC000039399475 966492347 /nfs/dbraw/zinc/49/23/47/966492347.db2.gz AHEOTJSPZQIZCU-KNQAVFIVSA-N 1 0 406.526 3.781 50 0 HHAARO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C/c2ccc(Br)s2)C[C@H](C)O1 ZINC000084706104 969037916 /nfs/dbraw/zinc/03/79/16/969037916.db2.gz SYXJJCPLCGFMTF-GLGQINJFSA-N 1 0 413.381 3.624 50 0 HHAARO Cc1cccc(NC=C2c3ccccc3C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)n1 ZINC000105320882 969230205 /nfs/dbraw/zinc/23/02/05/969230205.db2.gz JKUDZQXCXDXROM-UNOMPAQXSA-N 1 0 413.433 3.754 50 0 HHAARO C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000108351344 969376189 /nfs/dbraw/zinc/37/61/89/969376189.db2.gz VZUKITQPOHGDGQ-NIKGAXFTSA-N 1 0 407.297 3.909 50 0 HHAARO CC(C)NC(=O)c1ccccc1OC[C@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC000169774386 970478412 /nfs/dbraw/zinc/47/84/12/970478412.db2.gz JIBPTQLOXHFNGF-IBGZPJMESA-N 1 0 416.562 3.601 50 0 HHAARO CCOC(=O)C(=NNc1cc(C(F)(F)F)ccc1Cl)N(C)C1CC[NH+](C)CC1 ZINC000254475806 970573210 /nfs/dbraw/zinc/57/32/10/970573210.db2.gz UPFGXAHVLZZXMX-UHFFFAOYSA-N 1 0 420.863 3.673 50 0 HHAARO O=C(c1ccccc1)N1CCCn2ccnc2[C@@H]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000257193187 970625075 /nfs/dbraw/zinc/62/50/75/970625075.db2.gz XQORZZZSZMYNDI-QHCPKHFHSA-N 1 0 415.541 3.778 50 0 HHAARO Cc1noc([C@@]23CN(Cc4ccccc4)C[C@@H]2CC[N@H+](CCc2ccccc2)C3)n1 ZINC000257193338 970625154 /nfs/dbraw/zinc/62/51/54/970625154.db2.gz RNSCFHKRIUVVGR-ZCYQVOJMSA-N 1 0 402.542 3.696 50 0 HHAARO CC(C)N1C[C@H]([NH2+]Cc2cccc(Cl)c2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000299795779 970723401 /nfs/dbraw/zinc/72/34/01/970723401.db2.gz MAKYYEOJVHZONW-IRLDBZIGSA-N 1 0 417.956 3.779 50 0 HHAARO CCOc1ccccc1N1CCN(C(=O)C2CC[NH+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000002828228 132258186 /nfs/dbraw/zinc/25/81/86/132258186.db2.gz MTEFEMYTWMEHFL-OAQYLSRUSA-N 1 0 411.590 3.802 50 0 HHAARO c1ccc(N2CC[NH+](CCc3nc4c5c6c(sc5ncn4n3)CCCC6)CC2)cc1 ZINC000003207509 132263335 /nfs/dbraw/zinc/26/33/35/132263335.db2.gz LGAXLBKEHDOWBH-UHFFFAOYSA-N 1 0 418.570 3.583 50 0 HHAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000004191794 132272695 /nfs/dbraw/zinc/27/26/95/132272695.db2.gz XOLWHVLUFVZJCJ-UHFFFAOYSA-N 1 0 414.569 3.606 50 0 HHAARO O=C1c2cccc3cccc(c32)C(=O)N1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000004193886 132273076 /nfs/dbraw/zinc/27/30/76/132273076.db2.gz HUEQBQBFEDPHSG-UHFFFAOYSA-N 1 0 417.484 3.787 50 0 HHAARO CC[N@H+](CCCNC(=O)CCC(=O)N1C[C@@H](C)Oc2ccccc21)Cc1ccccc1 ZINC000006798325 132317237 /nfs/dbraw/zinc/31/72/37/132317237.db2.gz NSXNMKUVSIUFLU-HXUWFJFHSA-N 1 0 423.557 3.609 50 0 HHAARO CCc1ccc(NC(=O)N2CCN(c3ccc(Nc4cc[nH+]cc4)nn3)CC2)cc1 ZINC000011697978 132350025 /nfs/dbraw/zinc/35/00/25/132350025.db2.gz HKFGFXJNUHCWCR-UHFFFAOYSA-N 1 0 403.490 3.532 50 0 HHAARO COc1ccc(OC)c(NC(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000015078288 132461318 /nfs/dbraw/zinc/46/13/18/132461318.db2.gz BRGUUDSBTGIUNT-FQEVSTJZSA-N 1 0 424.545 3.522 50 0 HHAARO CC(=O)c1ccc(N2CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000024774410 132484624 /nfs/dbraw/zinc/48/46/24/132484624.db2.gz FEGJSWPQRZGWOS-UHFFFAOYSA-N 1 0 420.557 3.517 50 0 HHAARO CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000036616753 521671878 /nfs/dbraw/zinc/67/18/78/521671878.db2.gz OFSKHTBLKGWDSR-UHFFFAOYSA-N 1 0 418.545 3.723 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccc(C(C)=O)cc3)c(C)c2)CC1 ZINC000032772038 521699349 /nfs/dbraw/zinc/69/93/49/521699349.db2.gz RNRANYSOQMSCJY-GOSISDBHSA-N 1 0 408.546 3.779 50 0 HHAARO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856969 522363378 /nfs/dbraw/zinc/36/33/78/522363378.db2.gz WCCOUMUDNAYZBC-QFIPXVFZSA-N 1 0 414.571 3.570 50 0 HHAARO C[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000032686444 523019301 /nfs/dbraw/zinc/01/93/01/523019301.db2.gz HCPYGECYHALWDB-DHIUTWEWSA-N 1 0 419.521 3.925 50 0 HHAARO CCc1ccc([C@@H](CNC(=O)CSCC(=O)Nc2ccc(C)cc2)[NH+](C)C)cc1 ZINC000032733175 524029530 /nfs/dbraw/zinc/02/95/30/524029530.db2.gz KRASWHYYRRYMAB-OAQYLSRUSA-N 1 0 413.587 3.648 50 0 HHAARO Cc1cc(N2CCCC2)ccc1NC(=O)NC[C@@H](C[NH+](C)C)[C@H](O)c1ccccc1 ZINC000043494837 525061173 /nfs/dbraw/zinc/06/11/73/525061173.db2.gz UJROFVZGGBHNRR-NZQKXSOJSA-N 1 0 410.562 3.628 50 0 HHAARO C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)n1c(=O)oc2ccccc21 ZINC000032888463 526033638 /nfs/dbraw/zinc/03/36/38/526033638.db2.gz YWEAGEKUBZQGBL-OAHLLOKOSA-N 1 0 413.905 3.590 50 0 HHAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC([NH+]4CCCCC4)CC3)c2)on1 ZINC000020580269 526039028 /nfs/dbraw/zinc/03/90/28/526039028.db2.gz NDZYMJNHAOGLGF-UHFFFAOYSA-N 1 0 403.548 3.597 50 0 HHAARO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000032777584 526046204 /nfs/dbraw/zinc/04/62/04/526046204.db2.gz RFMNTIGAZSXKKY-LBPRGKRZSA-N 1 0 403.331 3.713 50 0 HHAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032899700 526492619 /nfs/dbraw/zinc/49/26/19/526492619.db2.gz OANSZYURNYWIGX-GMAHTHKFSA-N 1 0 423.532 3.631 50 0 HHAARO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000032879883 527529190 /nfs/dbraw/zinc/52/91/90/527529190.db2.gz NTPAXDCUFWYFPJ-IBGZPJMESA-N 1 0 415.896 3.686 50 0 HHAARO CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cc(F)ccc3F)c(C)c2)CC1 ZINC000012544434 535747964 /nfs/dbraw/zinc/74/79/64/535747964.db2.gz WXMSJORXFWJBRA-INIZCTEOSA-N 1 0 402.489 3.854 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)CCc2nc(-c3ccsc3)no2)CC1 ZINC000012516196 535753757 /nfs/dbraw/zinc/75/37/57/535753757.db2.gz YOTVIWWZYMMGIA-UHFFFAOYSA-N 1 0 411.531 3.511 50 0 HHAARO c1c(-c2ccc3c(c2)OCCO3)[n+](-c2ccc3c(c2)OCCO3)c2n1CCCCC2 ZINC000000622839 557019937 /nfs/dbraw/zinc/01/99/37/557019937.db2.gz OHPFZTBEMSHOFK-UHFFFAOYSA-N 1 0 405.474 3.701 50 0 HHAARO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000000679570 557055276 /nfs/dbraw/zinc/05/52/76/557055276.db2.gz JHIMEVXREAHWQV-UHFFFAOYSA-N 1 0 410.587 3.863 50 0 HHAARO O=C(C1CC[NH+](C[C@H]2CC=CCC2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000000795505 557083082 /nfs/dbraw/zinc/08/30/82/557083082.db2.gz RJWUKQZQIJQCMM-SZIFGRNDSA-N 1 0 407.602 3.912 50 0 HHAARO Cc1ccc(N2CC[NH+](Cc3ccc(C(=O)NCCc4ccccn4)cc3)CC2)cc1 ZINC000034668274 557362021 /nfs/dbraw/zinc/36/20/21/557362021.db2.gz LKCWHNMYBCTTFA-UHFFFAOYSA-N 1 0 414.553 3.685 50 0 HHAARO CCOc1cc(C[NH2+]C(C)C)c(Cl)cc1OCC(=O)NCCc1ccccc1 ZINC000002741084 557375395 /nfs/dbraw/zinc/37/53/95/557375395.db2.gz MKMRCTHXCLFKSG-UHFFFAOYSA-N 1 0 404.938 3.974 50 0 HHAARO O=C(COc1ccccc1)Nc1ccc(N2CCC[N@H+](Cc3cccs3)CC2)nc1 ZINC000034681985 557383992 /nfs/dbraw/zinc/38/39/92/557383992.db2.gz OJZRJPOVYSQSQK-UHFFFAOYSA-N 1 0 422.554 3.873 50 0 HHAARO C[NH+](C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000002853603 557405971 /nfs/dbraw/zinc/40/59/71/557405971.db2.gz WCAFMGZKRJYAQQ-GOSISDBHSA-N 1 0 400.837 3.692 50 0 HHAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)C(=O)C1CC1 ZINC000034834953 557467619 /nfs/dbraw/zinc/46/76/19/557467619.db2.gz IFXKCGRDXKFADW-IBGZPJMESA-N 1 0 423.605 3.860 50 0 HHAARO COc1cc(C)c(C)cc1S(=O)(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004580653 557569785 /nfs/dbraw/zinc/56/97/85/557569785.db2.gz QZNZOBOKUWWCKM-UHFFFAOYSA-N 1 0 418.603 3.587 50 0 HHAARO CCOc1ccccc1N1C(=O)C[C@@H]([NH2+]CCc2c[nH]c3ccc(Cl)cc23)C1=O ZINC000005274587 557642945 /nfs/dbraw/zinc/64/29/45/557642945.db2.gz BOPISWQPFYPLPU-GOSISDBHSA-N 1 0 411.889 3.684 50 0 HHAARO C[NH+](C)CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccc(F)cc2s1 ZINC000022664352 557712131 /nfs/dbraw/zinc/71/21/31/557712131.db2.gz DTHLAEJUPVJFMF-XBXARRHUSA-N 1 0 413.474 3.772 50 0 HHAARO COCCNC(=O)c1cccc(OC2CC[NH+](Cc3cn(C)c4ccccc34)CC2)c1 ZINC000011668038 558269693 /nfs/dbraw/zinc/26/96/93/558269693.db2.gz ICSMBUXWSQQWAD-UHFFFAOYSA-N 1 0 421.541 3.598 50 0 HHAARO CC(C)CC(=O)Nc1ccnn1C1CC[NH+](Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000011753771 558272486 /nfs/dbraw/zinc/27/24/86/558272486.db2.gz QXMMVGUFLRJNAX-UHFFFAOYSA-N 1 0 407.518 3.959 50 0 HHAARO CC[NH+](CC)[C@H]1CCN(C(=O)c2sc3ncnc(N4CCCCCC4)c3c2C)C1 ZINC000011784142 558275360 /nfs/dbraw/zinc/27/53/60/558275360.db2.gz BKTCYWOOGYSUNP-KRWDZBQOSA-N 1 0 415.607 3.936 50 0 HHAARO Cc1ccc(C[N@H+]2CCC(=O)N(Cc3cc4c(cc3Cl)OCO4)CC2)c(C)c1 ZINC000011788709 558276842 /nfs/dbraw/zinc/27/68/42/558276842.db2.gz UPWQQFOMBKJQLR-UHFFFAOYSA-N 1 0 400.906 3.920 50 0 HHAARO OCC[C@@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@@H+]1CCc1ccccc1 ZINC000019792502 558283374 /nfs/dbraw/zinc/28/33/74/558283374.db2.gz LSHMMYOHQJABAR-JOCHJYFZSA-N 1 0 407.583 3.921 50 0 HHAARO Cc1c(C[NH+]2CCC3(C[C@@H]3C(=O)NCC3(c4ccccc4)CCCC3)CC2)cnn1C ZINC000011838749 558285607 /nfs/dbraw/zinc/28/56/07/558285607.db2.gz AEUHSIFOSQAFKF-HSZRJFAPSA-N 1 0 420.601 3.959 50 0 HHAARO COCCNC(=O)c1ccc(OC2CC[NH+](C/C=C/c3ccco3)CC2)c(Cl)c1 ZINC000011841646 558287169 /nfs/dbraw/zinc/28/71/69/558287169.db2.gz DTTFNOCKKPQEDQ-DUXPYHPUSA-N 1 0 418.921 3.866 50 0 HHAARO COc1cc(C(=O)N2CCC(OC)CC2)ccc1OC1CC[NH+](C2CCCC2)CC1 ZINC000011879982 558294713 /nfs/dbraw/zinc/29/47/13/558294713.db2.gz UXBPDLSETGAKJZ-UHFFFAOYSA-N 1 0 416.562 3.732 50 0 HHAARO COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC(=O)N2Cc2ccc(Cl)s2)cc1 ZINC000011910002 558296474 /nfs/dbraw/zinc/29/64/74/558296474.db2.gz CITJYVVQWCDRPU-MRXNPFEDSA-N 1 0 406.935 3.859 50 0 HHAARO C[C@H](NC(=O)c1ccco1)c1nnc2n1CC[N@@H+](Cc1cc3ccccc3s1)CC2 ZINC000011911347 558296913 /nfs/dbraw/zinc/29/69/13/558296913.db2.gz XBPHFAJUQINSHC-HNNXBMFYSA-N 1 0 421.526 3.635 50 0 HHAARO CCN(CC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)c1scc2c1CCCC2 ZINC000011933267 558297866 /nfs/dbraw/zinc/29/78/66/558297866.db2.gz HMJXASZFIMPGSN-UHFFFAOYSA-N 1 0 403.636 3.895 50 0 HHAARO C[NH+]1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccs2)CC1 ZINC000019878902 558300237 /nfs/dbraw/zinc/30/02/37/558300237.db2.gz ZBTPFTLDGWUGCW-UHFFFAOYSA-N 1 0 401.919 3.916 50 0 HHAARO O=C(NCCc1cscn1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000011938004 558301502 /nfs/dbraw/zinc/30/15/02/558301502.db2.gz BNQMXKYCLUTFAM-UHFFFAOYSA-N 1 0 422.554 3.554 50 0 HHAARO Cc1ccc([C@@H](C)CCN2CCC([NH+]3CCC(C(=O)N4CCCC4)CC3)CC2)o1 ZINC000011996739 558306870 /nfs/dbraw/zinc/30/68/70/558306870.db2.gz ZQFJJVSAEIOORJ-IBGZPJMESA-N 1 0 401.595 3.880 50 0 HHAARO COc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)NCCc3ccccc3)CC2)c(OC)c1C ZINC000012055918 558315834 /nfs/dbraw/zinc/31/58/34/558315834.db2.gz NDDVSGZNOFDRNH-JOCHJYFZSA-N 1 0 422.569 3.973 50 0 HHAARO O=C(c1cc(COc2c(F)cccc2F)on1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012075890 558319634 /nfs/dbraw/zinc/31/96/34/558319634.db2.gz FMDDAEIWZPFYOP-UHFFFAOYSA-N 1 0 405.445 3.622 50 0 HHAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012090955 558324240 /nfs/dbraw/zinc/32/42/40/558324240.db2.gz SAENULSHNODELC-FQEVSTJZSA-N 1 0 423.948 3.589 50 0 HHAARO COc1ccccc1/C=C/C[NH+]1CCC2(C[C@@H]2C(=O)NCc2cccc(C)n2)CC1 ZINC000012135943 558333838 /nfs/dbraw/zinc/33/38/38/558333838.db2.gz OTMLJAHXNUWWMZ-MECCDNJOSA-N 1 0 405.542 3.830 50 0 HHAARO CCn1cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)cn1 ZINC000020209412 558347077 /nfs/dbraw/zinc/34/70/77/558347077.db2.gz ACZGIABLTCIOOI-OAQYLSRUSA-N 1 0 421.511 3.708 50 0 HHAARO COc1ccc(N[C@@H]2CCCN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)cc1OC ZINC000012208190 558353332 /nfs/dbraw/zinc/35/33/32/558353332.db2.gz HUOUZBWVVYUVTD-LJQANCHMSA-N 1 0 401.551 3.515 50 0 HHAARO COc1ccc(N[C@H]2CCCN(C(=O)C3([NH+]4CCCC4)CCCC3)C2)cc1OC ZINC000012208197 558353335 /nfs/dbraw/zinc/35/33/35/558353335.db2.gz HUOUZBWVVYUVTD-IBGZPJMESA-N 1 0 401.551 3.515 50 0 HHAARO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000020322038 558355230 /nfs/dbraw/zinc/35/52/30/558355230.db2.gz XVQLFUYIUMRBTP-UHFFFAOYSA-N 1 0 419.525 3.874 50 0 HHAARO COc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](Nc4ccc5c(c4)OCO5)C3)cn2)cc1 ZINC000012300822 558370588 /nfs/dbraw/zinc/37/05/88/558370588.db2.gz KAUUPZPROPIMAH-HXUWFJFHSA-N 1 0 418.497 3.957 50 0 HHAARO Cc1cn2c(C(=O)N(C)C[C@@H]3CCC[N@H+](CCc4ccccc4F)C3)csc2n1 ZINC000012302461 558372033 /nfs/dbraw/zinc/37/20/33/558372033.db2.gz MCHJQKPCCKVFAU-KRWDZBQOSA-N 1 0 414.550 3.870 50 0 HHAARO Cc1ccn(CCC(=O)N(C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)n1 ZINC000012302529 558372403 /nfs/dbraw/zinc/37/24/03/558372403.db2.gz VDFZQRSWRLDRJU-UHFFFAOYSA-N 1 0 402.970 3.648 50 0 HHAARO COc1ccc(-c2nn(-c3ccccc3C)cc2C[NH+]2CCC(C(N)=O)CC2)cc1F ZINC000012303328 558372840 /nfs/dbraw/zinc/37/28/40/558372840.db2.gz YOQRXPSKXYNIRW-UHFFFAOYSA-N 1 0 422.504 3.693 50 0 HHAARO O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)C1([NH+]2CCCCC2)CCCCC1 ZINC000012305823 558374805 /nfs/dbraw/zinc/37/48/05/558374805.db2.gz JKVXLAWMRNYIDF-FQEVSTJZSA-N 1 0 407.562 3.950 50 0 HHAARO Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21 ZINC000012316340 558379678 /nfs/dbraw/zinc/37/96/78/558379678.db2.gz VGONXDGCNFVQQS-QGZVFWFLSA-N 1 0 408.550 3.552 50 0 HHAARO O=C(CCC1CC[NH+](Cc2c[nH]nc2-c2cccc(F)c2)CC1)NC[C@@H]1CCCO1 ZINC000012317815 558381088 /nfs/dbraw/zinc/38/10/88/558381088.db2.gz KFLYPUBPHRNOQA-NRFANRHFSA-N 1 0 414.525 3.503 50 0 HHAARO COc1ccc(-n2ncc([C@@H](C)[NH2+]C3CCN(Cc4ccccn4)CC3)c2C)cc1 ZINC000012430697 558405209 /nfs/dbraw/zinc/40/52/09/558405209.db2.gz VCPSIEKAXFTQFG-GOSISDBHSA-N 1 0 405.546 3.900 50 0 HHAARO Cn1cc(C[NH2+][C@H](Cn2ccnc2)c2ccccc2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000012437610 558409565 /nfs/dbraw/zinc/40/95/65/558409565.db2.gz WNXOAYMHTBLUKD-OAQYLSRUSA-N 1 0 415.497 3.586 50 0 HHAARO CC(C)OCCNC(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012458643 558418269 /nfs/dbraw/zinc/41/82/69/558418269.db2.gz AHUJVSGZIBVBQT-UHFFFAOYSA-N 1 0 410.558 3.927 50 0 HHAARO Cc1ccc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cnc(N3CCOCC3)s2)cc1C ZINC000012589812 558435317 /nfs/dbraw/zinc/43/53/17/558435317.db2.gz OHHNYVVZHQDBPB-NRFANRHFSA-N 1 0 423.586 3.949 50 0 HHAARO CCc1ccc(NC(=O)N2CCN(c3cc(N4CCCCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795178 558449182 /nfs/dbraw/zinc/44/91/82/558449182.db2.gz IAKKFXUIQNFSIV-UHFFFAOYSA-N 1 0 408.550 3.692 50 0 HHAARO CCc1ccc2nc(N(CC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 ZINC000004359213 558450027 /nfs/dbraw/zinc/45/00/27/558450027.db2.gz WZNLSWKBBIHKCO-IBGZPJMESA-N 1 0 411.527 3.593 50 0 HHAARO CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000012706873 558450272 /nfs/dbraw/zinc/45/02/72/558450272.db2.gz GLQKNOKMSUCPSS-HSZRJFAPSA-N 1 0 408.517 3.909 50 0 HHAARO CC(=O)c1ccc(OCC(=O)N(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000012711021 558452392 /nfs/dbraw/zinc/45/23/92/558452392.db2.gz PWYHYTIAALABGN-JOCHJYFZSA-N 1 0 408.542 3.681 50 0 HHAARO COc1ccccc1/C=C/CN1CCC([NH+]2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000012712192 558453375 /nfs/dbraw/zinc/45/33/75/558453375.db2.gz COXYOUAHQWCFHN-SOFGYWHQSA-N 1 0 411.590 3.507 50 0 HHAARO Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 ZINC000004359549 558456663 /nfs/dbraw/zinc/45/66/63/558456663.db2.gz WDHRVDFWVVWJEM-IBGZPJMESA-N 1 0 411.527 3.729 50 0 HHAARO C[NH+](C)CCCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2c(cccc2F)s1 ZINC000004359770 558456997 /nfs/dbraw/zinc/45/69/97/558456997.db2.gz JRECDLNKVYERSJ-UHFFFAOYSA-N 1 0 415.490 3.805 50 0 HHAARO COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3ccc(C(C)=O)s3)CC2)cc1 ZINC000012747535 558458431 /nfs/dbraw/zinc/45/84/31/558458431.db2.gz DMDFALMESIBMIM-UHFFFAOYSA-N 1 0 414.571 3.986 50 0 HHAARO O=C(NCC1CCOCC1)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000012753580 558459515 /nfs/dbraw/zinc/45/95/15/558459515.db2.gz RHCYGMBEGRGNRX-UHFFFAOYSA-N 1 0 422.569 3.929 50 0 HHAARO C[C@@H](CC(=O)Nc1ccc(Cl)cc1)[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022809909 558514088 /nfs/dbraw/zinc/51/40/88/558514088.db2.gz KVVMJHWTUJEWNN-LPHOPBHVSA-N 1 0 421.010 3.697 50 0 HHAARO Cc1c2cccc(C)c2[nH]c1CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000022853390 558517190 /nfs/dbraw/zinc/51/71/90/558517190.db2.gz MPJRRJUUIIWNGW-JOCHJYFZSA-N 1 0 412.622 3.526 50 0 HHAARO Cc1cc(C)c(C[N@@H+]2CCN(Cc3ccsc3)[C@H](CCO)C2)c(-n2cccn2)c1 ZINC000022852437 558517237 /nfs/dbraw/zinc/51/72/37/558517237.db2.gz LTVYVQZJRFFSKI-OAQYLSRUSA-N 1 0 410.587 3.619 50 0 HHAARO Cc1ccc(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)c(Br)c1 ZINC000022913031 558520090 /nfs/dbraw/zinc/52/00/90/558520090.db2.gz STYXRHGXPJCNOZ-UHFFFAOYSA-N 1 0 416.363 3.556 50 0 HHAARO CN(C(=O)c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)[C@H]1CCOC1 ZINC000013595914 558547054 /nfs/dbraw/zinc/54/70/54/558547054.db2.gz DNXGOCLDAXFQNW-QFIPXVFZSA-N 1 0 408.542 3.633 50 0 HHAARO Cc1cccc(C[NH2+][C@@H]2CCc3c(sc4ncn(Cc5ccccn5)c(=O)c43)C2)c1 ZINC000023340255 558550626 /nfs/dbraw/zinc/55/06/26/558550626.db2.gz OBRHWHZYTQMBCR-GOSISDBHSA-N 1 0 416.550 3.857 50 0 HHAARO Cn1cc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c(-c2ccccc2F)n1 ZINC000023358794 558551327 /nfs/dbraw/zinc/55/13/27/558551327.db2.gz XUFRCWDAEURTED-UHFFFAOYSA-N 1 0 404.533 3.901 50 0 HHAARO COc1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)cc(Cl)c1O ZINC000023374825 558554564 /nfs/dbraw/zinc/55/45/64/558554564.db2.gz DHYXVKWOXQEXMQ-HXUWFJFHSA-N 1 0 415.965 3.841 50 0 HHAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1oc2cc(Br)ccc2c1C ZINC000013691673 558573517 /nfs/dbraw/zinc/57/35/17/558573517.db2.gz OBYQIEDRTZJVJM-UHFFFAOYSA-N 1 0 407.308 3.788 50 0 HHAARO CCOc1ccc(N2C[C@H](C(=O)NCc3ccccc3C[NH+](CC)CC)CC2=O)cc1 ZINC000024991119 558625926 /nfs/dbraw/zinc/62/59/26/558625926.db2.gz HMXNPACATKOFIH-OAQYLSRUSA-N 1 0 423.557 3.596 50 0 HHAARO Cc1ccc(NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2)cc1 ZINC000014184974 558630000 /nfs/dbraw/zinc/63/00/00/558630000.db2.gz UVIYHBOQRJZEEP-OAHLLOKOSA-N 1 0 407.436 3.762 50 0 HHAARO Cc1c(C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)sc2[nH]c(C)nc(=O)c12 ZINC000014187926 558631653 /nfs/dbraw/zinc/63/16/53/558631653.db2.gz PSRDITRDGWIHCR-UHFFFAOYSA-N 1 0 402.564 3.520 50 0 HHAARO COc1ccc([C@@H](C[NH2+]Cc2cc(Br)ccc2F)N2CCOCC2)cc1 ZINC000025262012 558636098 /nfs/dbraw/zinc/63/60/98/558636098.db2.gz JXPXGHKXGVCQEC-HXUWFJFHSA-N 1 0 423.326 3.760 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1ccsc1 ZINC000025813558 558650815 /nfs/dbraw/zinc/65/08/15/558650815.db2.gz SEWXKQDNQNIKJV-KRWDZBQOSA-N 1 0 419.348 3.933 50 0 HHAARO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(OC[C@H]4CCCO4)c3)c(C)c2)CC1 ZINC000026359631 558659401 /nfs/dbraw/zinc/65/94/01/558659401.db2.gz IRKWGVSOOLCUKK-HSZRJFAPSA-N 1 0 423.557 3.947 50 0 HHAARO CN1C(=O)N(Cc2ccccc2)C(=O)C12CC[NH+](Cc1cc3ccccc3[nH]1)CC2 ZINC000014540920 558659842 /nfs/dbraw/zinc/65/98/42/558659842.db2.gz DCQXSNVOTJBAIK-UHFFFAOYSA-N 1 0 402.498 3.597 50 0 HHAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCc1cccs1)C2 ZINC000014743793 558668087 /nfs/dbraw/zinc/66/80/87/558668087.db2.gz SXMDXIDUILJZGW-QGZVFWFLSA-N 1 0 400.592 3.670 50 0 HHAARO CC(C)[NH+]1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2Cc1ccccc1 ZINC000014748153 558669975 /nfs/dbraw/zinc/66/99/75/558669975.db2.gz MRMACFBVXZTPQX-UHFFFAOYSA-N 1 0 420.557 3.722 50 0 HHAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NC2CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014749835 558670373 /nfs/dbraw/zinc/67/03/73/558670373.db2.gz YLMLVGRDGRQXSO-FCHUYYIVSA-N 1 0 417.553 3.531 50 0 HHAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@H+](C)Cc1cc3ccccc3s1)C2 ZINC000014755449 558671804 /nfs/dbraw/zinc/67/18/04/558671804.db2.gz RPFVAFQMGFCXCM-QGZVFWFLSA-N 1 0 408.571 3.860 50 0 HHAARO CC[C@H](O)C1CCN(C(=O)c2ccc(OC)c(OC3CC[NH+](C(C)C)CC3)c2)CC1 ZINC000014960790 558683844 /nfs/dbraw/zinc/68/38/44/558683844.db2.gz RMEMMCJYSNKROE-NRFANRHFSA-N 1 0 418.578 3.570 50 0 HHAARO COc1cccc(CNC(=O)CC[C@H]2CCC[N@H+](Cc3cnc(N(C)C)s3)C2)c1 ZINC000014961046 558684069 /nfs/dbraw/zinc/68/40/69/558684069.db2.gz IZBICCOGCANHEQ-QGZVFWFLSA-N 1 0 416.591 3.526 50 0 HHAARO COc1cccc(CN2C(=O)CC[C@H]2CC[NH2+]Cc2cc3c(cc2Cl)OCO3)c1 ZINC000014988291 558693353 /nfs/dbraw/zinc/69/33/53/558693353.db2.gz DEFRAKHAPCZYJF-KRWDZBQOSA-N 1 0 416.905 3.748 50 0 HHAARO Cc1nc2n(c(=O)c1CC[NH+]1CCC(c3noc4ccc(F)cc43)CC1)CCCC2 ZINC000028247550 558693541 /nfs/dbraw/zinc/69/35/41/558693541.db2.gz YNIYHYADOBEXLE-UHFFFAOYSA-N 1 0 410.493 3.590 50 0 in-vitro HHAARO CC(C)(C)C[NH+]1CCC(O)(c2ccc3oc(C(=O)NC[C@H]4CCCO4)cc3c2)CC1 ZINC000014993195 558695254 /nfs/dbraw/zinc/69/52/54/558695254.db2.gz FDUWTNATJVVNOH-LJQANCHMSA-N 1 0 414.546 3.671 50 0 HHAARO C[C@H](Cn1ccc2ccccc21)[NH2+]C1CCN(c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000015001299 558697898 /nfs/dbraw/zinc/69/78/98/558697898.db2.gz WTKCBSNYNOGSAI-LJQANCHMSA-N 1 0 404.558 3.990 50 0 HHAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2c(C)nn(C)c2Cl)C1 ZINC000015065174 558708096 /nfs/dbraw/zinc/70/80/96/558708096.db2.gz PILVLSWNVXBEES-SFHVURJKSA-N 1 0 404.986 3.777 50 0 HHAARO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000015077755 558717413 /nfs/dbraw/zinc/71/74/13/558717413.db2.gz HZYSJVHDQRMJPT-NRFANRHFSA-N 1 0 423.529 3.875 50 0 HHAARO COc1cc(C[C@H]2CC(C[NH2+]CCc3c(C)[nH]c4ccccc43)=NO2)cc2c1OCO2 ZINC000015085757 558720395 /nfs/dbraw/zinc/72/03/95/558720395.db2.gz XSVUKSGTMASBLX-SFHVURJKSA-N 1 0 421.497 3.733 50 0 HHAARO CC[NH+]1CCN(c2ccccc2NC(=O)NCCC[C@](C)(CC)C2OCCO2)CC1 ZINC000072306198 558765153 /nfs/dbraw/zinc/76/51/53/558765153.db2.gz IVCJQFVHWWIXBC-QHCPKHFHSA-N 1 0 418.582 3.519 50 0 HHAARO C[C@H](NC(=O)C1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000016034004 558769443 /nfs/dbraw/zinc/76/94/43/558769443.db2.gz GAIXORVAXMXKSY-OHYLTARVSA-N 1 0 419.569 3.501 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1OC)O2 ZINC000032983674 558805245 /nfs/dbraw/zinc/80/52/45/558805245.db2.gz DEIFCEQDGGVPLU-JWGURIENSA-N 1 0 423.513 3.529 50 0 HHAARO COc1ccc(Nc2nc(NCC[NH+](C)C)nc3c2cnn3-c2ccccc2)cc1 ZINC000016913670 558809196 /nfs/dbraw/zinc/80/91/96/558809196.db2.gz PBFQIEZFRGPRFS-UHFFFAOYSA-N 1 0 403.490 3.541 50 0 HHAARO Cc1ccccc1/C=C/C(=O)NCC(=O)N1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000013574600 558844111 /nfs/dbraw/zinc/84/41/11/558844111.db2.gz SREWELXVCFVELC-FJYVLNHRSA-N 1 0 411.590 3.626 50 0 HHAARO Cc1ccc(CCC(=O)N2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000055042135 558870365 /nfs/dbraw/zinc/87/03/65/558870365.db2.gz PVJIDBIDJUTCTG-DEOSSOPVSA-N 1 0 409.549 3.880 50 0 HHAARO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)CC1 ZINC000055309205 558878786 /nfs/dbraw/zinc/87/87/86/558878786.db2.gz HJAPBHYOOXOINI-HSZRJFAPSA-N 1 0 409.549 3.880 50 0 HHAARO COc1cccc([C@H](CNC(=O)N2CCc3cc(Br)ccc32)[NH+](C)C)c1 ZINC000058163196 558906545 /nfs/dbraw/zinc/90/65/45/558906545.db2.gz WWQIOPIUYFPNJP-IBGZPJMESA-N 1 0 418.335 3.833 50 0 HHAARO C[NH+](C)C1(CNC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)CCCC1 ZINC000058265353 558915581 /nfs/dbraw/zinc/91/55/81/558915581.db2.gz LAMFSKINDNVKNS-UHFFFAOYSA-N 1 0 419.522 3.654 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000058393310 558923723 /nfs/dbraw/zinc/92/37/23/558923723.db2.gz DHQLNXCWKXDFCQ-JOCHJYFZSA-N 1 0 417.569 3.551 50 0 HHAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)Nc3cccc(C)c3C)CC2)[nH+]1 ZINC000072115499 558926725 /nfs/dbraw/zinc/92/67/25/558926725.db2.gz FWPPIRAWVYTHOZ-UHFFFAOYSA-N 1 0 408.550 3.746 50 0 HHAARO Cc1cc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nc(N2CCCCC2)[nH+]1 ZINC000064799805 558965494 /nfs/dbraw/zinc/96/54/94/558965494.db2.gz BFGDIJUEDMORFT-UHFFFAOYSA-N 1 0 417.916 3.530 50 0 HHAARO CCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]c(N3CCCCC3)n2)CC1 ZINC000065362386 558973206 /nfs/dbraw/zinc/97/32/06/558973206.db2.gz MWIHHDZVKPOSAM-UHFFFAOYSA-N 1 0 408.550 3.692 50 0 HHAARO COc1ccc(NC(=O)N2CCN(c3cc(C)[nH+]c(NC4CCCCC4)n3)CC2)cc1 ZINC000065364150 558975133 /nfs/dbraw/zinc/97/51/33/558975133.db2.gz PXIRXOVOVIKONN-UHFFFAOYSA-N 1 0 424.549 3.892 50 0 HHAARO COc1ccc(Cl)cc1S(=O)(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000023127732 559016076 /nfs/dbraw/zinc/01/60/76/559016076.db2.gz KINUEJDIZHOQQL-UHFFFAOYSA-N 1 0 414.980 3.601 50 0 HHAARO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCC[N@H+](CC)CC1 ZINC000072274140 559019068 /nfs/dbraw/zinc/01/90/68/559019068.db2.gz NCCHEUAWVXXLQW-UHFFFAOYSA-N 1 0 415.559 3.558 50 0 HHAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Cc1ccccc1 ZINC000023196758 559032280 /nfs/dbraw/zinc/03/22/80/559032280.db2.gz NROVTCSZEPHYCG-UPVQGACJSA-N 1 0 410.558 3.927 50 0 HHAARO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3F)CC2)C1 ZINC000082107188 559038429 /nfs/dbraw/zinc/03/84/29/559038429.db2.gz SJBCSPYSNIUPRR-QHCPKHFHSA-N 1 0 423.576 3.861 50 0 HHAARO CCC1(C)CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4cccnc4)CC3)C2)CC1 ZINC000082114506 559039064 /nfs/dbraw/zinc/03/90/64/559039064.db2.gz YEPRBWNDKMSVIO-QFIPXVFZSA-N 1 0 412.622 3.797 50 0 HHAARO COC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)c(NC(=O)CCc2ccccc2)c1 ZINC000033278761 559042336 /nfs/dbraw/zinc/04/23/36/559042336.db2.gz ZETBHPLJUCJMPP-UHFFFAOYSA-N 1 0 409.530 3.575 50 0 HHAARO O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000091460219 559071678 /nfs/dbraw/zinc/07/16/78/559071678.db2.gz BYYAHYMLMBYWKF-GOSISDBHSA-N 1 0 410.562 3.958 50 0 HHAARO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cc(Cl)cn3C)C2)cc1 ZINC000095497631 559081836 /nfs/dbraw/zinc/08/18/36/559081836.db2.gz NAEAKXXMQKOGGR-SFHVURJKSA-N 1 0 403.954 3.714 50 0 HHAARO COc1ccc(OC2CC[NH+](C3CCCC3)CC2)c(C(=O)NCC(F)(F)F)c1 ZINC000095502715 559082622 /nfs/dbraw/zinc/08/26/22/559082622.db2.gz PPAIDYRTCINKFB-UHFFFAOYSA-N 1 0 400.441 3.773 50 0 HHAARO Cc1ccccc1C[NH+]1CCC(CN(Cc2cccnc2)C(=O)c2ncc[nH]2)CC1 ZINC000095521714 559085450 /nfs/dbraw/zinc/08/54/50/559085450.db2.gz ONSLVKAKKFRHIB-UHFFFAOYSA-N 1 0 403.530 3.668 50 0 HHAARO O[C@H](Cn1ccc2ccccc21)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000095626628 559087577 /nfs/dbraw/zinc/08/75/77/559087577.db2.gz CIRWJIBTDIZRSF-SFHVURJKSA-N 1 0 401.913 3.613 50 0 HHAARO CC(C)(C)OC(=O)NC1CCC([NH+]2CCN(C(=O)OCc3ccccc3)CC2)CC1 ZINC000095630341 559087767 /nfs/dbraw/zinc/08/77/67/559087767.db2.gz ALNSORIFMQKXTJ-UHFFFAOYSA-N 1 0 417.550 3.777 50 0 HHAARO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000011652655 559119770 /nfs/dbraw/zinc/11/97/70/559119770.db2.gz MFWBBYWNISGMDC-JOCHJYFZSA-N 1 0 418.541 3.998 50 0 HHAARO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 ZINC000023467880 559175851 /nfs/dbraw/zinc/17/58/51/559175851.db2.gz OXJYVEVAPHBROP-UHFFFAOYSA-N 1 0 418.335 3.817 50 0 HHAARO Cc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000023741172 559179633 /nfs/dbraw/zinc/17/96/33/559179633.db2.gz XWLYOPOAYPIHQQ-HXUWFJFHSA-N 1 0 409.921 3.796 50 0 HHAARO COc1ccc(Nc2cc(C(=O)NCC[NH+]3CCCC3)c3ccccc3n2)cc1OC ZINC000004909646 559201457 /nfs/dbraw/zinc/20/14/57/559201457.db2.gz DFZBVGAKQHAUPD-UHFFFAOYSA-N 1 0 420.513 3.821 50 0 HHAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc3c(s2)c2ccccc2n(C)c3=O)C1 ZINC000005022423 559229593 /nfs/dbraw/zinc/22/95/93/559229593.db2.gz IUZLJXKEOJZMJL-HZPDHXFCSA-N 1 0 411.571 3.851 50 0 HHAARO COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)/C=C/c3cccs3)nc21 ZINC000005121716 559248547 /nfs/dbraw/zinc/24/85/47/559248547.db2.gz FLHNXQCEOOJUGR-JXMROGBWSA-N 1 0 417.556 3.983 50 0 HHAARO C[NH+](C)CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2)cc1 ZINC000037555445 559254958 /nfs/dbraw/zinc/25/49/58/559254958.db2.gz NXJLHBYFPMDKSF-UHFFFAOYSA-N 1 0 415.537 3.754 50 0 HHAARO COCCN(C[C@H]1C[N@H+](Cc2ccco2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248167132 559267053 /nfs/dbraw/zinc/26/70/53/559267053.db2.gz PAGXHOBXHCWNQO-KNQAVFIVSA-N 1 0 402.510 3.765 50 0 HHAARO O=C(C1CC1)N1CCC[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000078879445 560540656 /nfs/dbraw/zinc/54/06/56/560540656.db2.gz AXJUCWBQEPAGOK-QHCPKHFHSA-N 1 0 423.601 3.682 50 0 HHAARO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000019626261 560555635 /nfs/dbraw/zinc/55/56/35/560555635.db2.gz RUTWJFHUJLHOGI-OAQYLSRUSA-N 1 0 413.521 3.613 50 0 biogenic,in-vitro HHAARO CC[NH+](CC)CCn1cnc2c(c1=N)[C@@H](c1ccccc1OC)c1ccc(O)cc1O2 ZINC000005349037 560571262 /nfs/dbraw/zinc/57/12/62/560571262.db2.gz MSSXPLMAXBJPOT-NRFANRHFSA-N 1 0 420.513 3.704 50 0 HHAARO COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)c1 ZINC000107072689 560895263 /nfs/dbraw/zinc/89/52/63/560895263.db2.gz GTXXAQVDPOWIJP-SDHOMARFSA-N 1 0 422.569 3.703 50 0 HHAARO CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000045717901 568420989 /nfs/dbraw/zinc/42/09/89/568420989.db2.gz GOZDAJPWOQRKKZ-UHFFFAOYSA-N 1 0 402.583 3.935 50 0 HHAARO C[NH+](C)C[C@@H](CNC(=O)Nc1nnc(C2CCCCC2)s1)[C@H](O)c1ccccc1 ZINC000048275192 568435441 /nfs/dbraw/zinc/43/54/41/568435441.db2.gz KYEHYGQAEPWBEK-QZTJIDSGSA-N 1 0 417.579 3.619 50 0 HHAARO C[C@@H]1CN(c2ccccc2NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C[C@H](C)O1 ZINC000048280163 568435920 /nfs/dbraw/zinc/43/59/20/568435920.db2.gz MBWYUDXKOOGWTJ-OYRHEFFESA-N 1 0 424.589 3.938 50 0 HHAARO CC(C)[C@H](C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000048324206 568438076 /nfs/dbraw/zinc/43/80/76/568438076.db2.gz QNHIZGKEURPNSM-RUZDIDTESA-N 1 0 416.569 3.973 50 0 HHAARO C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000049581019 568452817 /nfs/dbraw/zinc/45/28/17/568452817.db2.gz ROFHFLQINBZIGT-GOSISDBHSA-N 1 0 406.482 3.930 50 0 HHAARO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)cc1OC ZINC000006018606 568454593 /nfs/dbraw/zinc/45/45/93/568454593.db2.gz LHWFDNGVDKNZDS-HNNXBMFYSA-N 1 0 400.302 3.583 50 0 HHAARO O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000006940025 568464961 /nfs/dbraw/zinc/46/49/61/568464961.db2.gz LWVGRLNVEFHYSY-UHFFFAOYSA-N 1 0 421.520 3.893 50 0 HHAARO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(F)cc1 ZINC000012328495 568472058 /nfs/dbraw/zinc/47/20/58/568472058.db2.gz GATPCLBCTFRLKD-CVDCTZTESA-N 1 0 411.521 3.990 50 0 HHAARO O=C(NC[C@@H]1COc2ccccc2O1)N(CC1CC1)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000604404775 568492429 /nfs/dbraw/zinc/49/24/29/568492429.db2.gz RRGKJNYBUYKZSF-PWRODBHTSA-N 1 0 413.562 3.513 50 0 HHAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cccs1 ZINC000020507920 568619861 /nfs/dbraw/zinc/61/98/61/568619861.db2.gz WAZDEYWLRCMYRY-TYCQWZJGSA-N 1 0 411.571 3.649 50 0 HHAARO Cc1c(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cc2)cnn1-c1ccccc1 ZINC000095460129 568620023 /nfs/dbraw/zinc/62/00/23/568620023.db2.gz SYUGHROOJMMOMA-UHFFFAOYSA-N 1 0 403.530 3.963 50 0 HHAARO C[NH+](C)CCOc1cccc(CC(=O)Nc2cc(CCc3ccccc3)ccn2)c1 ZINC000225415173 568635823 /nfs/dbraw/zinc/63/58/23/568635823.db2.gz MTOWWYBNKFYCJD-UHFFFAOYSA-N 1 0 403.526 3.988 50 0 HHAARO COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cc1O ZINC000225424870 568636886 /nfs/dbraw/zinc/63/68/86/568636886.db2.gz KOLIAGFBCDOCRP-SCLBCKFNSA-N 1 0 406.885 3.910 50 0 HHAARO CCn1ccnc1CN1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000020996214 568656862 /nfs/dbraw/zinc/65/68/62/568656862.db2.gz HQIWJRDYRQRZNN-FQEVSTJZSA-N 1 0 421.511 3.708 50 0 HHAARO CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670355 568662448 /nfs/dbraw/zinc/66/24/48/568662448.db2.gz QAUYCIZUAMLZSG-IBGZPJMESA-N 1 0 421.557 3.862 50 0 HHAARO CN(C(=O)CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1)c1nccs1 ZINC000096012777 568685227 /nfs/dbraw/zinc/68/52/27/568685227.db2.gz MORQTFKGTOLBHH-SFHVURJKSA-N 1 0 408.518 3.589 50 0 HHAARO Cc1ncc(C[N@H+](C)CCO)c2cc(-c3cc(=O)oc4cc5c(cc43)CCC5)oc21 ZINC000096116526 568696097 /nfs/dbraw/zinc/69/60/97/568696097.db2.gz HUNXQBLAGHTOEZ-UHFFFAOYSA-N 1 0 404.466 3.822 50 0 biogenic HHAARO COCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c2cc(Cl)ccc21 ZINC000096125626 568701275 /nfs/dbraw/zinc/70/12/75/568701275.db2.gz BXWNTNUOICLLTI-OXJNMPFZSA-N 1 0 403.954 3.935 50 0 biogenic HHAARO C[NH+]1CCC2(CN(C(=O)c3ccccc3F)C[C@@H]2c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000097138431 568714701 /nfs/dbraw/zinc/71/47/01/568714701.db2.gz BHKXBLMMILTUPN-LJQANCHMSA-N 1 0 419.504 3.562 50 0 HHAARO COc1ccccc1N1CCN(C[C@H](O)COc2ccccc2-c2ccccc2)CC1 ZINC000012420113 568719468 /nfs/dbraw/zinc/71/94/68/568719468.db2.gz IHJMRRRMGQANKN-QFIPXVFZSA-N 1 0 418.537 3.924 50 0 HHAARO CC[C@@H](C)/N=c1/ccc2c(cc1O)[C@@H]([NH2+]C)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000025073663 568748451 /nfs/dbraw/zinc/74/84/51/568748451.db2.gz MVPOWILPNMXNGS-KDOFPFPSSA-N 1 0 412.530 3.991 50 0 biogenic HHAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3cc(Cl)ccc3n2)C1)N1CCOCC1 ZINC000015071841 568749310 /nfs/dbraw/zinc/74/93/10/568749310.db2.gz MCSDFMWVNHNTDL-KRWDZBQOSA-N 1 0 401.938 3.739 50 0 HHAARO COc1cc2c(cc1OC)C(/C=C1/SC(OC(C)=O)=NN1c1ccccc1)=[NH+]CC2 ZINC000211017951 568756049 /nfs/dbraw/zinc/75/60/49/568756049.db2.gz HRNHZRZPMOQUDZ-FYJGNVAPSA-N 1 0 423.494 3.978 50 0 HHAARO COc1cccc(Nc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021928393 568761514 /nfs/dbraw/zinc/76/15/14/568761514.db2.gz MISBTCIOZJMKLL-UHFFFAOYSA-N 1 0 421.549 3.570 50 0 HHAARO Cc1cccc(Nc2nc(N3CC[NH+](C4CCCCC4)CC3)nc3c2cnn3C)c1 ZINC000021928790 568761583 /nfs/dbraw/zinc/76/15/83/568761583.db2.gz XWRZNTVZGHUBQU-UHFFFAOYSA-N 1 0 405.550 3.870 50 0 HHAARO O=c1c2ccccc2cnn1CN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000097029970 568766833 /nfs/dbraw/zinc/76/68/33/568766833.db2.gz UDIJGTVGYWJJKV-UHFFFAOYSA-N 1 0 416.550 3.900 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc3ccccc3c2)N2CC[NH+](C)CC2)cc1 ZINC000022579698 568770650 /nfs/dbraw/zinc/77/06/50/568770650.db2.gz NXVLBDLFHTXPLP-XMMPIXPASA-N 1 0 403.526 3.567 50 0 HHAARO CC(C)CC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CCN(c3ccccc3)CC1)n2C ZINC000057264298 568825224 /nfs/dbraw/zinc/82/52/24/568825224.db2.gz BYSCPMNATLEOCB-UHFFFAOYSA-N 1 0 419.573 3.923 50 0 HHAARO Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)o1 ZINC000012539439 568846885 /nfs/dbraw/zinc/84/68/85/568846885.db2.gz RQEHGBQOLRSJPS-OAQYLSRUSA-N 1 0 409.453 3.887 50 0 HHAARO COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000003261408 568849467 /nfs/dbraw/zinc/84/94/67/568849467.db2.gz VTHDVDAJZUUHBN-LIRRHRJNSA-N 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c1cc(C[NH2+]Cc2cc3cc4c(cc3nc2N2CCOCC2)CCC4)cc2c1OCO2 ZINC000299796901 568876314 /nfs/dbraw/zinc/87/63/14/568876314.db2.gz OPLKIHZLRQEHNK-UHFFFAOYSA-N 1 0 417.509 3.579 50 0 HHAARO CC(C)(C)c1ccc(C[NH2+]CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000084284408 568945502 /nfs/dbraw/zinc/94/55/02/568945502.db2.gz OSIXBCWYQBNTMQ-UHFFFAOYSA-N 1 0 408.951 3.769 50 0 HHAARO CC[C@H](C)[N@H+](CCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccco1 ZINC000015674417 568962815 /nfs/dbraw/zinc/96/28/15/568962815.db2.gz JGVZIHYDWOWZQP-INIZCTEOSA-N 1 0 408.502 3.603 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676909 568964980 /nfs/dbraw/zinc/96/49/80/568964980.db2.gz IEDIXJXCZTUDSQ-UHFFFAOYSA-N 1 0 419.573 3.696 50 0 HHAARO CCCC[N@H+](C)CCCNC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1 ZINC000015676921 568964993 /nfs/dbraw/zinc/96/49/93/568964993.db2.gz IQZDBRNBVXRKKZ-UHFFFAOYSA-N 1 0 421.589 3.942 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2ccc(-n3cccn3)cc2)[NH+]2CCCCC2)cc1 ZINC000007989701 568966530 /nfs/dbraw/zinc/96/65/30/568966530.db2.gz RXDMWLYIOZTWEQ-HSZRJFAPSA-N 1 0 404.514 3.838 50 0 HHAARO CCn1c2ccc(F)cc2c(N2CCCC2=O)c1C(=O)NCC[NH+]1CCCCCC1 ZINC000015681867 568968324 /nfs/dbraw/zinc/96/83/24/568968324.db2.gz DQJKQHWCMUWRIR-UHFFFAOYSA-N 1 0 414.525 3.533 50 0 HHAARO COc1ccc([C@@H](CNC(=O)c2cncn2-c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000008012626 568968409 /nfs/dbraw/zinc/96/84/09/568968409.db2.gz LBZOPYGPXKTYRM-JOCHJYFZSA-N 1 0 404.514 3.838 50 0 HHAARO COc1cccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CC[NH2+]CC2)c1 ZINC000015726936 568978313 /nfs/dbraw/zinc/97/83/13/568978313.db2.gz PAUUDXJOJRVROX-UHFFFAOYSA-N 1 0 424.932 3.931 50 0 HHAARO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008185783 568980348 /nfs/dbraw/zinc/98/03/48/568980348.db2.gz VMSDJIMEUYVKAN-JKSUJKDBSA-N 1 0 421.588 3.601 50 0 HHAARO Cc1nc(C(=O)NCc2ccccc2C[NH+]2CCCC2)nn1-c1ccc(Cl)cc1 ZINC000008229564 568983346 /nfs/dbraw/zinc/98/33/46/568983346.db2.gz QITFECSKZCLHTK-UHFFFAOYSA-N 1 0 409.921 3.755 50 0 HHAARO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000008230688 568983953 /nfs/dbraw/zinc/98/39/53/568983953.db2.gz VCVGDGPQLZCLAB-HXUWFJFHSA-N 1 0 408.933 3.898 50 0 HHAARO COc1ccc([C@H](CNC(=O)Cc2coc3cc(OC)ccc23)[NH+]2CCCC2)cc1 ZINC000008231044 568984130 /nfs/dbraw/zinc/98/41/30/568984130.db2.gz SJAKYPZLQJBJPX-QFIPXVFZSA-N 1 0 408.498 3.946 50 0 HHAARO COc1ccc([C@@H](CNC(=O)Cc2coc3cc(OC)ccc23)[NH+]2CCCC2)cc1 ZINC000008231041 568984160 /nfs/dbraw/zinc/98/41/60/568984160.db2.gz SJAKYPZLQJBJPX-JOCHJYFZSA-N 1 0 408.498 3.946 50 0 HHAARO COC(=O)C1(OC(=O)C2c3ccccc3Oc3ccccc32)C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000085429835 568989358 /nfs/dbraw/zinc/98/93/58/568989358.db2.gz CBLVOBMVXLECFT-LZFXEFOOSA-N 1 0 407.466 3.636 50 0 HHAARO CCCNC(=O)[C@H](C)[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1OC ZINC000008345233 568994453 /nfs/dbraw/zinc/99/44/53/568994453.db2.gz CBRFLRIXUHMFMN-SFHVURJKSA-N 1 0 406.530 3.611 50 0 HHAARO COc1ccc(CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006085877 568998096 /nfs/dbraw/zinc/99/80/96/568998096.db2.gz BLJODOXMHBKDDF-QFIPXVFZSA-N 1 0 407.510 3.943 50 0 HHAARO CC1(C)CN=C(N2CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)CC2)S1 ZINC000001506779 569006843 /nfs/dbraw/zinc/00/68/43/569006843.db2.gz KYYVTZWOPPHURW-GOSISDBHSA-N 1 0 422.598 3.654 50 0 HHAARO COc1ccc(CN2CC[N@H+](Cc3ccc4ncccc4c3)C[C@H]2CCO)cc1C ZINC000104353488 569008263 /nfs/dbraw/zinc/00/82/63/569008263.db2.gz YYJVJNXVGSRYGI-HSZRJFAPSA-N 1 0 405.542 3.621 50 0 HHAARO COc1cc(CN2CC[N@H+](Cc3cccc4ccccc43)C[C@H]2CCO)cc(OC)c1 ZINC000104347374 569008273 /nfs/dbraw/zinc/00/82/73/569008273.db2.gz ZBLTUBSRCCPCIJ-HSZRJFAPSA-N 1 0 420.553 3.926 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3cc(F)ccc3F)C[C@H]2CCO)c(C)c1C ZINC000104408936 569008615 /nfs/dbraw/zinc/00/86/15/569008615.db2.gz MHJUUMKETMQWDX-OAQYLSRUSA-N 1 0 404.501 3.659 50 0 HHAARO COc1ccc(C[N@@H+]2CCN(Cc3ccc4ncccc4c3)C[C@H]2CCO)c(C)c1C ZINC000107100324 569009250 /nfs/dbraw/zinc/00/92/50/569009250.db2.gz JWIVIFIBHNJUJD-XMMPIXPASA-N 1 0 419.569 3.929 50 0 HHAARO CCOC(=O)CC1(NC(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)CCCCC1 ZINC000015866521 569016781 /nfs/dbraw/zinc/01/67/81/569016781.db2.gz NTCIFIPSUDRYIR-UHFFFAOYSA-N 1 0 407.599 3.796 50 0 HHAARO C[NH+](C)[C@H](CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cccc(F)c1 ZINC000012907580 569021279 /nfs/dbraw/zinc/02/12/79/569021279.db2.gz BBBTXTVMLNCRKZ-OAQYLSRUSA-N 1 0 410.468 3.672 50 0 HHAARO Cc1cc(-c2ccc(C)c(S(=O)(=O)NCC[C@H](C)[NH+]3CCCCCC3)c2)on1 ZINC000015942767 569024273 /nfs/dbraw/zinc/02/42/73/569024273.db2.gz VGSOSFQDDHOMKW-SFHVURJKSA-N 1 0 405.564 3.891 50 0 HHAARO C[C@H](NC(=O)C1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1)c1ccccc1 ZINC000035360305 569033642 /nfs/dbraw/zinc/03/36/42/569033642.db2.gz GAIXORVAXMXKSY-YXIOWOIOSA-N 1 0 419.569 3.501 50 0 HHAARO O=C(NCCC[NH+]1CCCCC1)c1ccc(-c2cc(N3CCCCC3)ncn2)cc1 ZINC000035454014 569037887 /nfs/dbraw/zinc/03/78/87/569037887.db2.gz UYRSUXISJDZCDD-UHFFFAOYSA-N 1 0 407.562 3.740 50 0 HHAARO CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)N[C@H](C)c1cccs1 ZINC000016390204 569040902 /nfs/dbraw/zinc/04/09/02/569040902.db2.gz QIVQFUSXYYEATK-GFCCVEGCSA-N 1 0 413.465 3.693 50 0 HHAARO c1ccc(C[NH+]2CCN(c3c4c(nc5nc(-c6ccccc6)nn53)CCCC4)CC2)cc1 ZINC000035508916 569041059 /nfs/dbraw/zinc/04/10/59/569041059.db2.gz HAHBDFIIPZWUHX-UHFFFAOYSA-N 1 0 424.552 3.992 50 0 HHAARO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000013003820 569049346 /nfs/dbraw/zinc/04/93/46/569049346.db2.gz VBQUUEMYGITEBQ-INIZCTEOSA-N 1 0 417.347 3.997 50 0 HHAARO COc1ccccc1[C@H](CNC(=O)COc1cc(C)ccc1Cl)[NH+]1CCCC1 ZINC000013010614 569050087 /nfs/dbraw/zinc/05/00/87/569050087.db2.gz ZILSQBUCZIHTJN-IBGZPJMESA-N 1 0 402.922 3.989 50 0 HHAARO C[NH+]1CCN(CCOc2ccccc2NC(=O)Cc2cccc3ccccc32)CC1 ZINC000089382714 569058863 /nfs/dbraw/zinc/05/88/63/569058863.db2.gz FKZVLAGBFYTXMC-UHFFFAOYSA-N 1 0 403.526 3.647 50 0 HHAARO CCNC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccccc3)C[C@H]12 ZINC000035871203 569064029 /nfs/dbraw/zinc/06/40/29/569064029.db2.gz PCQKJBXXDHGCIA-TZIWHRDSSA-N 1 0 417.475 3.705 50 0 HHAARO COCCNC(=O)C1CC[NH+](Cc2cc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000064666630 569078505 /nfs/dbraw/zinc/07/85/05/569078505.db2.gz JBLVFYMYCQQZGA-UHFFFAOYSA-N 1 0 423.532 3.803 50 0 HHAARO Cc1cc(=O)oc2c(C)c(OCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000006659782 569083885 /nfs/dbraw/zinc/08/38/85/569083885.db2.gz UTOKZXASYNWNLD-UHFFFAOYSA-N 1 0 420.509 3.569 50 0 HHAARO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COCC(C)C)cc1OC ZINC000036096012 569090004 /nfs/dbraw/zinc/09/00/04/569090004.db2.gz IVYFEPITMXGQEA-NRFANRHFSA-N 1 0 405.510 3.879 50 0 HHAARO COc1cccc(C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)c1 ZINC000036098453 569090907 /nfs/dbraw/zinc/09/09/07/569090907.db2.gz OYEFUSAFAUPDJL-OAQYLSRUSA-N 1 0 421.493 3.866 50 0 HHAARO Cc1cccc(OCc2nc(CN(CC[NH+](C)C)C(=O)NC(C)C)cs2)c1C ZINC000036115209 569093884 /nfs/dbraw/zinc/09/38/84/569093884.db2.gz NHGOWHKXXQVCKG-UHFFFAOYSA-N 1 0 404.580 3.821 50 0 HHAARO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145861 569098414 /nfs/dbraw/zinc/09/84/14/569098414.db2.gz NTXHCBQLLQWMFO-GOTSBHOMSA-N 1 0 414.521 3.854 50 0 HHAARO CCC(CC)C(=O)N(CC[NH+](C)C)Cc1cc(NC(=O)C(C)C)ccc1N(C)C ZINC000006722337 569099486 /nfs/dbraw/zinc/09/94/86/569099486.db2.gz BQDANSUJBQKEOH-UHFFFAOYSA-N 1 0 404.599 3.674 50 0 HHAARO CC(C)[N@H+](CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000006724924 569100705 /nfs/dbraw/zinc/10/07/05/569100705.db2.gz ZLLDGMKKDBRZQD-UHFFFAOYSA-N 1 0 406.530 3.961 50 0 HHAARO Cc1c(C)n(CCC[NH+](C)C)c2ncn3nc(COc4ccc(Cl)cc4)nc3c12 ZINC000006760531 569113504 /nfs/dbraw/zinc/11/35/04/569113504.db2.gz UHAGBRYRGJLSFR-UHFFFAOYSA-N 1 0 412.925 3.880 50 0 HHAARO CC[C@H](C(=O)NCCC[NH+](CC)CC)n1nc(C)c2sc3ccccc3c2c1=O ZINC000006799260 569126383 /nfs/dbraw/zinc/12/63/83/569126383.db2.gz DOSFBPWLPLYMRN-QGZVFWFLSA-N 1 0 414.575 3.719 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3ccc(F)cc3)C[C@@H]2c2cc(C)ccc2C)CC1 ZINC000036344505 569142718 /nfs/dbraw/zinc/14/27/18/569142718.db2.gz DVYAOOUTMBEIQF-XMMPIXPASA-N 1 0 422.548 3.758 50 0 HHAARO CC[NH+]1CCN(CC(=O)N2N=C(c3cccc(C)c3)C[C@@H]2c2ccc(C)cc2)CC1 ZINC000036343484 569142872 /nfs/dbraw/zinc/14/28/72/569142872.db2.gz PNPZKLFMLFLRTR-XMMPIXPASA-N 1 0 404.558 3.619 50 0 HHAARO COC(=O)c1ccccc1NC(=O)N1CCC(C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000006877308 569163829 /nfs/dbraw/zinc/16/38/29/569163829.db2.gz CDAOVCJYXDJVJK-UHFFFAOYSA-N 1 0 407.514 3.775 50 0 HHAARO CC[NH+](CC)CCCNC(=O)c1ccc(-c2noc(-c3ccc(OC)cc3)n2)s1 ZINC000065062860 569166511 /nfs/dbraw/zinc/16/65/11/569166511.db2.gz KJVBRWFZXARSFX-UHFFFAOYSA-N 1 0 414.531 3.935 50 0 HHAARO Cc1ccccc1Oc1nccnc1SCC(=O)NCC[NH+]1CCCCCC1 ZINC000065111219 569178860 /nfs/dbraw/zinc/17/88/60/569178860.db2.gz OARXEWCRDCVGAW-UHFFFAOYSA-N 1 0 400.548 3.662 50 0 HHAARO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000036427615 569180740 /nfs/dbraw/zinc/18/07/40/569180740.db2.gz SFZKRBDTGDINFB-FXAWDEMLSA-N 1 0 402.922 3.568 50 0 HHAARO CCOc1ccc(NC(=O)c2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2)cc1 ZINC000065255971 569208118 /nfs/dbraw/zinc/20/81/18/569208118.db2.gz BKBHEVSXVXSFOX-QFIPXVFZSA-N 1 0 402.498 3.884 50 0 HHAARO CC(C)(CNC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[NH+]1CCCCC1 ZINC000007064257 569217193 /nfs/dbraw/zinc/21/71/93/569217193.db2.gz XNSMLYASPKYLIL-SFHVURJKSA-N 1 0 405.970 3.573 50 0 HHAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000007263649 569230798 /nfs/dbraw/zinc/23/07/98/569230798.db2.gz LGZMBUZBXFGZIJ-QFIPXVFZSA-N 1 0 420.509 3.997 50 0 HHAARO C[C@@H]([NH2+]C1CCN(c2ncnc3c2cnn3C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000170615988 569247758 /nfs/dbraw/zinc/24/77/58/569247758.db2.gz QHXMOCUGTAFEAE-QGZVFWFLSA-N 1 0 413.529 3.745 50 0 HHAARO Cc1ccc(S(C)(=O)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000089644428 569261619 /nfs/dbraw/zinc/26/16/19/569261619.db2.gz HSAYRDNXTYGIOL-INIZCTEOSA-N 1 0 402.560 3.985 50 0 HHAARO COc1cn(CC(=O)Nc2cccc(Cl)c2)c(C[NH+]2CCCCCC2)cc1=O ZINC000016974488 569269609 /nfs/dbraw/zinc/26/96/09/569269609.db2.gz BLTOVXZXZXPTJX-UHFFFAOYSA-N 1 0 403.910 3.525 50 0 HHAARO Cc1cn2c(C[NH2+]C[C@@H](c3ccc(Cl)cc3)N3CCOCC3)c(C)nc2s1 ZINC000237919257 569281910 /nfs/dbraw/zinc/28/19/10/569281910.db2.gz IWKYBWRRDBHLHF-IBGZPJMESA-N 1 0 404.967 3.829 50 0 HHAARO O=C1N(CN2CCc3ccccc3C2)c2ccccc2C12O[C@@H]1CCCCC[C@H]1O2 ZINC000252430647 569285380 /nfs/dbraw/zinc/28/53/80/569285380.db2.gz BVZPIBXMSLWZEV-DHIUTWEWSA-N 1 0 404.510 3.950 50 0 HHAARO C[N@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000252452829 569286336 /nfs/dbraw/zinc/28/63/36/569286336.db2.gz HCPYGECYHALWDB-PKTZIBPZSA-N 1 0 419.521 3.925 50 0 HHAARO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)n1 ZINC000252540179 569293337 /nfs/dbraw/zinc/29/33/37/569293337.db2.gz OVGZOBWFBNCWGD-DHIUTWEWSA-N 1 0 403.526 3.797 50 0 HHAARO Cc1cc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)n(C(C)(C)C)n1 ZINC000253417381 569367429 /nfs/dbraw/zinc/36/74/29/569367429.db2.gz SBSQIYPSGJBGMP-URLQWDBASA-N 1 0 421.586 3.509 50 0 HHAARO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000002311270 569373896 /nfs/dbraw/zinc/37/38/96/569373896.db2.gz GWSSOODOEXHBJQ-VXGBXAGGSA-N 1 0 422.323 3.776 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000002327049 569375473 /nfs/dbraw/zinc/37/54/73/569375473.db2.gz CESWTDYWVPIPIR-UHFFFAOYSA-N 1 0 401.507 3.804 50 0 HHAARO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 ZINC000027735724 569391972 /nfs/dbraw/zinc/39/19/72/569391972.db2.gz VSFNLMCVWHSPCP-JOCHJYFZSA-N 1 0 409.530 3.953 50 0 HHAARO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000002454257 569409580 /nfs/dbraw/zinc/40/95/80/569409580.db2.gz GFFODZUIKWXLQE-GJZGRUSLSA-N 1 0 401.507 3.660 50 0 HHAARO C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CC[NH+]2CCC(O)CC2)cc1 ZINC000078947452 569421851 /nfs/dbraw/zinc/42/18/51/569421851.db2.gz CPRVQMROVDCERW-MRXNPFEDSA-N 1 0 402.922 3.745 50 0 HHAARO COC(=O)c1ccsc1N1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCC2)C1=O ZINC000078953963 569422075 /nfs/dbraw/zinc/42/20/75/569422075.db2.gz FKYVRHSALSZXPX-ZWKOTPCHSA-N 1 0 402.491 3.910 50 0 HHAARO O=C(Nc1cccc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1)c1ccco1 ZINC000079049405 569425433 /nfs/dbraw/zinc/42/54/33/569425433.db2.gz ZIMKYJLPEDOPPU-OYRHEFFESA-N 1 0 415.493 3.736 50 0 HHAARO O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000019797631 569430388 /nfs/dbraw/zinc/43/03/88/569430388.db2.gz PQCSELLABGCGED-AVZNFENQSA-N 1 0 412.618 3.788 50 0 HHAARO CSc1cccc(NC(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)c1 ZINC000079495499 569432767 /nfs/dbraw/zinc/43/27/67/569432767.db2.gz TZZLMBXFLKOFNX-UHFFFAOYSA-N 1 0 402.516 3.755 50 0 HHAARO C[NH+](C)Cc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000008724715 571107771 /nfs/dbraw/zinc/10/77/71/571107771.db2.gz AKBDWLQZOOOALZ-UHFFFAOYSA-N 1 0 400.832 3.657 50 0 HHAARO COc1ccc(Cl)cc1CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000040012794 571138360 /nfs/dbraw/zinc/13/83/60/571138360.db2.gz OQNYAJJBTMZQQN-IBGZPJMESA-N 1 0 402.922 3.853 50 0 HHAARO CC(=O)Nc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+]2CCCCCC2)cc1 ZINC000008901109 571144563 /nfs/dbraw/zinc/14/45/63/571144563.db2.gz DXZIQQRUMQUIFO-HXUWFJFHSA-N 1 0 421.588 3.602 50 0 HHAARO CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000040108159 571168031 /nfs/dbraw/zinc/16/80/31/571168031.db2.gz XJEALIUWFHBSEA-FXAWDEMLSA-N 1 0 407.986 3.865 50 0 HHAARO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(I)cc2)C1 ZINC000040108164 571168139 /nfs/dbraw/zinc/16/81/39/571168139.db2.gz SAXLALUPFUTJHW-CQSZACIVSA-N 1 0 400.304 3.533 50 0 HHAARO C[NH+](C)[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)C1CC1 ZINC000040152081 571199860 /nfs/dbraw/zinc/19/98/60/571199860.db2.gz SUELYUQOFBYNSA-RTWAWAEBSA-N 1 0 413.949 3.658 50 0 HHAARO FC(F)(F)c1cccnc1N1CCN(C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000244975165 571211508 /nfs/dbraw/zinc/21/15/08/571211508.db2.gz IEOIYYYIMVQVJW-UHFFFAOYSA-N 1 0 410.509 3.949 50 0 HHAARO COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245237863 571219601 /nfs/dbraw/zinc/21/96/01/571219601.db2.gz ZZSQMFHFTVIADH-PXNSSMCTSA-N 1 0 410.514 3.871 50 0 HHAARO O=c1c2ccc(Cl)cc2nc(SCC[NH+]2CCCCC2)n1C[C@@H]1CCCO1 ZINC000009112573 571223404 /nfs/dbraw/zinc/22/34/04/571223404.db2.gz FMVBPTWULSHUIC-INIZCTEOSA-N 1 0 407.967 3.807 50 0 HHAARO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H](c2ccccc2)C1 ZINC000069622205 571235172 /nfs/dbraw/zinc/23/51/72/571235172.db2.gz ZWFPOEPFZRSPLP-QHCPKHFHSA-N 1 0 406.574 3.788 50 0 HHAARO Cc1c(C(=O)N2CCCCC2)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000069899629 571248648 /nfs/dbraw/zinc/24/86/48/571248648.db2.gz SXFFLMUWEZUDSH-UHFFFAOYSA-N 1 0 415.541 3.760 50 0 HHAARO O=C1c2cccn2CC[C@@H]1[C@H](O)c1cc[n+](Cc2ccccc2Br)cc1 ZINC000009498905 571263209 /nfs/dbraw/zinc/26/32/09/571263209.db2.gz AOIWHXZUIXYBOK-YLJYHZDGSA-N 1 0 412.307 3.523 50 0 HHAARO COc1cn(CC(=O)Nc2c(C)cc(C)cc2C)c(C[NH+]2CCCCCC2)cc1=O ZINC000009622045 571274314 /nfs/dbraw/zinc/27/43/14/571274314.db2.gz CLPYODRIDVJPTF-UHFFFAOYSA-N 1 0 411.546 3.797 50 0 HHAARO CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000009668189 571278245 /nfs/dbraw/zinc/27/82/45/571278245.db2.gz ZDFKKDSCCXJZDT-QFIPXVFZSA-N 1 0 401.595 3.688 50 0 HHAARO Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1NC(=O)C1=CSCCO1 ZINC000009739830 571283359 /nfs/dbraw/zinc/28/33/59/571283359.db2.gz JUNCRJTXIQVQOX-UHFFFAOYSA-N 1 0 417.575 3.534 50 0 HHAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000009917481 571290184 /nfs/dbraw/zinc/29/01/84/571290184.db2.gz FADPANIJEFPBAG-UHFFFAOYSA-N 1 0 414.509 3.905 50 0 HHAARO CC(C)[C@@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000071335146 571292988 /nfs/dbraw/zinc/29/29/88/571292988.db2.gz DNLKODGNLMHUES-MDKPJZGXSA-N 1 0 401.869 3.899 50 0 HHAARO COc1ccc(Br)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000009991609 571293804 /nfs/dbraw/zinc/29/38/04/571293804.db2.gz RVOBFMUONNTRNK-UHFFFAOYSA-N 1 0 403.320 3.984 50 0 HHAARO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)C(=O)Nc1ccccc1F ZINC000010334032 571300701 /nfs/dbraw/zinc/30/07/01/571300701.db2.gz BQUZRIZJCNBTIQ-QFIPXVFZSA-N 1 0 405.473 3.871 50 0 HHAARO Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccc3ccccc32)[NH+]2CCCC2)cc1 ZINC000010333888 571300717 /nfs/dbraw/zinc/30/07/17/571300717.db2.gz SCCCVKOCEXDJGT-XMMPIXPASA-N 1 0 415.537 3.718 50 0 HHAARO CCNC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000034716730 571316360 /nfs/dbraw/zinc/31/63/60/571316360.db2.gz OOEVUBROORSHKM-VQTJNVASSA-N 1 0 414.521 3.893 50 0 HHAARO