smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H]2C(c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000001105820 551610184 /nfs/dbraw/zinc/61/01/84/551610184.db2.gz HITLVGXMYNQBMA-DEOSSOPVSA-N 1 2 515.632 2.520 50 0 KFAALO COc1ccc([C@@H]2C(c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000001105821 551610118 /nfs/dbraw/zinc/61/01/18/551610118.db2.gz HITLVGXMYNQBMA-XMMPIXPASA-N 1 2 515.632 2.520 50 0 KFAALO COc1cc(-n2c(O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)c(=O)[nH]c2=S)cc(OC)c1OC ZINC000001815328 551707370 /nfs/dbraw/zinc/70/73/70/551707370.db2.gz SMSPOUUVDXWGFY-IBGZPJMESA-N 1 2 529.571 2.567 50 0 KFAALO COc1cc(-n2c(O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)c(=O)[nH]c2=S)cc(OC)c1OC ZINC000001815328 551707367 /nfs/dbraw/zinc/70/73/67/551707367.db2.gz SMSPOUUVDXWGFY-IBGZPJMESA-N 1 2 529.571 2.567 50 0 KFAALO COc1cc(-n2c(O)c([C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)c(=O)[nH]c2=S)cc(OC)c1OC ZINC000001815330 551707417 /nfs/dbraw/zinc/70/74/17/551707417.db2.gz SMSPOUUVDXWGFY-LJQANCHMSA-N 1 2 529.571 2.567 50 0 KFAALO COc1cc(-n2c(O)c([C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)c(=O)[nH]c2=S)cc(OC)c1OC ZINC000001815330 551707416 /nfs/dbraw/zinc/70/74/16/551707416.db2.gz SMSPOUUVDXWGFY-LJQANCHMSA-N 1 2 529.571 2.567 50 0 KFAALO COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002101239 551762254 /nfs/dbraw/zinc/76/22/54/551762254.db2.gz CZHXWJUFFYDJKV-ITOWZWGRSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002101239 551762252 /nfs/dbraw/zinc/76/22/52/551762252.db2.gz CZHXWJUFFYDJKV-ITOWZWGRSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002101241 551762234 /nfs/dbraw/zinc/76/22/34/551762234.db2.gz CZHXWJUFFYDJKV-XASJVRKQSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002101241 551762233 /nfs/dbraw/zinc/76/22/33/551762233.db2.gz CZHXWJUFFYDJKV-XASJVRKQSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c(=O)[nH]c(=O)n(-c2ccc(I)cc2)c1O ZINC000002128847 551772448 /nfs/dbraw/zinc/77/24/48/551772448.db2.gz QHNXHVXFYWIWDC-LJQANCHMSA-N 1 2 530.322 2.561 50 0 biogenic KFAALO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c(=O)[nH]c(=O)n(-c2ccc(I)cc2)c1O ZINC000002128848 551772438 /nfs/dbraw/zinc/77/24/38/551772438.db2.gz QHNXHVXFYWIWDC-IBGZPJMESA-N 1 2 530.322 2.561 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139171 551774408 /nfs/dbraw/zinc/77/44/08/551774408.db2.gz NTWGEIYDHYAVDJ-HSNRCERBSA-N 1 2 570.602 2.517 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002139171 551774406 /nfs/dbraw/zinc/77/44/06/551774406.db2.gz NTWGEIYDHYAVDJ-HSNRCERBSA-N 1 2 570.602 2.517 50 0 biogenic KFAALO COc1ccccc1C[C@@]1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000002139302 551774386 /nfs/dbraw/zinc/77/43/86/551774386.db2.gz BOCSJCZQQYABHK-OIPNOHFQSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccccc1C[C@@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000002139302 551774383 /nfs/dbraw/zinc/77/43/83/551774383.db2.gz BOCSJCZQQYABHK-OIPNOHFQSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccccc1C[C@]1(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000002139303 551774451 /nfs/dbraw/zinc/77/44/51/551774451.db2.gz BOCSJCZQQYABHK-YVXHJSNWSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccccc1C[C@]1(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000002139303 551774450 /nfs/dbraw/zinc/77/44/50/551774450.db2.gz BOCSJCZQQYABHK-YVXHJSNWSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000002139390 551774442 /nfs/dbraw/zinc/77/44/42/551774442.db2.gz VTWNVXCBJKJFPN-SAFBISLCSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000002139390 551774440 /nfs/dbraw/zinc/77/44/40/551774440.db2.gz VTWNVXCBJKJFPN-SAFBISLCSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144575 551775776 /nfs/dbraw/zinc/77/57/76/551775776.db2.gz NOFRXDKMBYNGSB-VDZJOXJSSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144575 551775774 /nfs/dbraw/zinc/77/57/74/551775774.db2.gz NOFRXDKMBYNGSB-VDZJOXJSSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144578 551775762 /nfs/dbraw/zinc/77/57/62/551775762.db2.gz NOFRXDKMBYNGSB-DGIFUFQNSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000002144578 551775761 /nfs/dbraw/zinc/77/57/61/551775761.db2.gz NOFRXDKMBYNGSB-DGIFUFQNSA-N 1 2 526.593 2.788 50 0 biogenic KFAALO COc1cc(-n2c(O)c([C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)c(=O)n(C)c2=S)cc(OC)c1OC ZINC000002151401 551778349 /nfs/dbraw/zinc/77/83/49/551778349.db2.gz FIVGPUXVPCMHDA-HXUWFJFHSA-N 1 2 543.598 2.951 50 0 biogenic KFAALO COc1cc(-n2c(O)c([C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)c(=O)n(C)c2=S)cc(OC)c1OC ZINC000002151401 551778346 /nfs/dbraw/zinc/77/83/46/551778346.db2.gz FIVGPUXVPCMHDA-HXUWFJFHSA-N 1 2 543.598 2.951 50 0 biogenic KFAALO COc1cc(-n2c(O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)c(=O)n(C)c2=S)cc(OC)c1OC ZINC000002151405 551778407 /nfs/dbraw/zinc/77/84/07/551778407.db2.gz FIVGPUXVPCMHDA-FQEVSTJZSA-N 1 2 543.598 2.951 50 0 biogenic KFAALO COc1cc(-n2c(O)c([C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)c(=O)n(C)c2=S)cc(OC)c1OC ZINC000002151405 551778405 /nfs/dbraw/zinc/77/84/05/551778405.db2.gz FIVGPUXVPCMHDA-FQEVSTJZSA-N 1 2 543.598 2.951 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156144 551779718 /nfs/dbraw/zinc/77/97/18/551779718.db2.gz XBJYDSQMRDDDCT-FSQFJQELSA-N 1 2 532.622 2.850 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156144 551779716 /nfs/dbraw/zinc/77/97/16/551779716.db2.gz XBJYDSQMRDDDCT-FSQFJQELSA-N 1 2 532.622 2.850 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3cccs3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156147 551779724 /nfs/dbraw/zinc/77/97/24/551779724.db2.gz XBJYDSQMRDDDCT-DIBPYXDISA-N 1 2 532.622 2.850 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3cccs3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000002156147 551779723 /nfs/dbraw/zinc/77/97/23/551779723.db2.gz XBJYDSQMRDDDCT-DIBPYXDISA-N 1 2 532.622 2.850 50 0 biogenic KFAALO O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000002851873 552201397 /nfs/dbraw/zinc/20/13/97/552201397.db2.gz POTZNBDUKDHKQC-UHFFFAOYSA-N 1 2 512.617 2.521 50 0 KFAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@H](C)C3)c(=O)c12 ZINC000002926770 552224426 /nfs/dbraw/zinc/22/44/26/552224426.db2.gz WLWOIYUTHZFTPN-HDICACEKSA-N 1 2 508.648 2.628 50 0 KFAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 ZINC000002926772 552224444 /nfs/dbraw/zinc/22/44/44/552224444.db2.gz WLWOIYUTHZFTPN-ROUUACIJSA-N 1 2 508.648 2.628 50 0 KFAALO Cc1c(C(=O)N2CCN(c3cccc[nH+]3)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 ZINC000002926773 552224434 /nfs/dbraw/zinc/22/44/34/552224434.db2.gz WLWOIYUTHZFTPN-QZTJIDSGSA-N 1 2 508.648 2.628 50 0 KFAALO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1 ZINC000003006959 552254290 /nfs/dbraw/zinc/25/42/90/552254290.db2.gz MQCRFCWHLQIIPT-UHFFFAOYSA-N 1 2 510.641 2.834 50 0 KFAALO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2C(N)=O)C1 ZINC000003006959 552254289 /nfs/dbraw/zinc/25/42/89/552254289.db2.gz MQCRFCWHLQIIPT-UHFFFAOYSA-N 1 2 510.641 2.834 50 0 KFAALO O=S1(=O)N=C2CCCCCN2[C@@H](CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)N1 ZINC000003331810 552359580 /nfs/dbraw/zinc/35/95/80/552359580.db2.gz WPEKQDDAELGANF-NRFANRHFSA-N 1 2 507.661 2.933 50 0 KFAALO O=S1(=O)N=C2CCCCCN2[C@H](CSc2nnc(C[NH+]3CCCCC3)n2-c2ccc(F)cc2)N1 ZINC000003331812 552359588 /nfs/dbraw/zinc/35/95/88/552359588.db2.gz WPEKQDDAELGANF-OAQYLSRUSA-N 1 2 507.661 2.933 50 0 KFAALO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CCCCCn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)CC1 ZINC000004019728 552429738 /nfs/dbraw/zinc/42/97/38/552429738.db2.gz YEIJDHPPNIGRTI-UHFFFAOYSA-N 1 2 529.663 2.681 50 0 KFAALO COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)ccc3c2=O)cc1 ZINC000004766615 552480482 /nfs/dbraw/zinc/48/04/82/552480482.db2.gz RIMUCQKTXZBAFV-UHFFFAOYSA-N 1 2 548.043 2.952 50 0 KFAALO Cc1ccc(S(=O)(=O)N2CC[NH2+]CCN(S(=O)(=O)c3ccc(C)cc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000005539106 552504132 /nfs/dbraw/zinc/50/41/32/552504132.db2.gz DSXJEODHPCMQEG-UHFFFAOYSA-N 1 2 634.846 2.588 50 0 KFAALO CCOC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1 ZINC000008445205 553053696 /nfs/dbraw/zinc/05/36/96/553053696.db2.gz WFVTVSQVLLMKKM-UHFFFAOYSA-N 1 2 517.637 2.553 50 0 KFAALO CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCCCn2cc[nH+]c2)c2ccccc21 ZINC000008606489 553098398 /nfs/dbraw/zinc/09/83/98/553098398.db2.gz ZHZPXAHUUBLDFV-KQWNVCNZSA-N 1 2 538.605 2.609 50 0 KFAALO Cc1ccc(C(=O)N/C(=C\c2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000008606491 553098431 /nfs/dbraw/zinc/09/84/31/553098431.db2.gz XMDNGOMJHINSOB-ULJHMMPZSA-N 1 2 534.642 2.778 50 0 KFAALO Cn1c2nc(N3CCN(c4cccc[nH+]4)CC3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000008667119 553109778 /nfs/dbraw/zinc/10/97/78/553109778.db2.gz BUXBCVVQDAUDEQ-UHFFFAOYSA-N 1 2 500.390 2.510 50 0 KFAALO O=C(Nc1ccccc1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000008670883 553110265 /nfs/dbraw/zinc/11/02/65/553110265.db2.gz LFUIYCUAYNHKOU-UHFFFAOYSA-N 1 2 507.616 2.681 50 0 KFAALO CC[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008812726 553150034 /nfs/dbraw/zinc/15/00/34/553150034.db2.gz MQKCYGFWNJOSIR-UHFFFAOYSA-N 1 2 516.689 2.943 50 0 KFAALO CC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21)c1ccccc1 ZINC000008812726 553150033 /nfs/dbraw/zinc/15/00/33/553150033.db2.gz MQKCYGFWNJOSIR-UHFFFAOYSA-N 1 2 516.689 2.943 50 0 KFAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)C[N@H+](C)CC2 ZINC000008880762 553175984 /nfs/dbraw/zinc/17/59/84/553175984.db2.gz XEWAWVPHUYHRCI-GASCZTMLSA-N 1 2 507.634 2.573 50 0 KFAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)C[N@@H+](C)CC2 ZINC000008880762 553175982 /nfs/dbraw/zinc/17/59/82/553175982.db2.gz XEWAWVPHUYHRCI-GASCZTMLSA-N 1 2 507.634 2.573 50 0 KFAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)C[N@H+](C)CC2 ZINC000008880766 553175905 /nfs/dbraw/zinc/17/59/05/553175905.db2.gz XEWAWVPHUYHRCI-GJZGRUSLSA-N 1 2 507.634 2.573 50 0 KFAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc1)C[N@@H+](C)CC2 ZINC000008880766 553175902 /nfs/dbraw/zinc/17/59/02/553175902.db2.gz XEWAWVPHUYHRCI-GJZGRUSLSA-N 1 2 507.634 2.573 50 0 KFAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)C[N@H+](C)CC2 ZINC000008880769 553175931 /nfs/dbraw/zinc/17/59/31/553175931.db2.gz XEWAWVPHUYHRCI-HUUCEWRRSA-N 1 2 507.634 2.573 50 0 KFAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc1)C[N@@H+](C)CC2 ZINC000008880769 553175929 /nfs/dbraw/zinc/17/59/29/553175929.db2.gz XEWAWVPHUYHRCI-HUUCEWRRSA-N 1 2 507.634 2.573 50 0 KFAALO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000008994608 553197044 /nfs/dbraw/zinc/19/70/44/553197044.db2.gz HCAFBYBMYUTYIA-SFHVURJKSA-N 1 2 503.621 2.591 50 0 KFAALO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000008994608 553197043 /nfs/dbraw/zinc/19/70/43/553197043.db2.gz HCAFBYBMYUTYIA-SFHVURJKSA-N 1 2 503.621 2.591 50 0 KFAALO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000008994610 553197098 /nfs/dbraw/zinc/19/70/98/553197098.db2.gz HCAFBYBMYUTYIA-GOSISDBHSA-N 1 2 503.621 2.591 50 0 KFAALO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N3CCOCC3)c1)CC2 ZINC000008994610 553197097 /nfs/dbraw/zinc/19/70/97/553197097.db2.gz HCAFBYBMYUTYIA-GOSISDBHSA-N 1 2 503.621 2.591 50 0 KFAALO CCOC(=O)Cc1csc(NC(=O)c2cn(CC)c3cc(N4CC[NH+](C)CC4)c(F)cc3c2=O)n1 ZINC000008995775 553197262 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1 2 528.606 2.666 50 0 KFAALO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000012469836 553368208 /nfs/dbraw/zinc/36/82/08/553368208.db2.gz LYAHOZWLUCWSBX-JOCHJYFZSA-N 1 2 528.606 2.666 50 0 KFAALO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000012469849 553368142 /nfs/dbraw/zinc/36/81/42/553368142.db2.gz QBMDDSPIFSKUBJ-QFIPXVFZSA-N 1 2 510.616 2.526 50 0 KFAALO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000012469854 553368166 /nfs/dbraw/zinc/36/81/66/553368166.db2.gz QBMDDSPIFSKUBJ-JOCHJYFZSA-N 1 2 510.616 2.526 50 0 KFAALO O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012533075 553387142 /nfs/dbraw/zinc/38/71/42/553387142.db2.gz KQZJTJQYXBTNFV-UHFFFAOYSA-N 1 2 512.676 2.656 50 0 KFAALO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)N1CCN(c2ccccc2)CC1 ZINC000012540146 553388703 /nfs/dbraw/zinc/38/87/03/553388703.db2.gz ZUWKJTFROLKEKS-UHFFFAOYSA-N 1 2 507.660 2.560 50 0 KFAALO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CC[NH+]3CCOCC3)C2=S)cc1 ZINC000012628642 553405261 /nfs/dbraw/zinc/40/52/61/553405261.db2.gz GNRARTGRMAJGMM-JOCHJYFZSA-N 1 2 528.606 2.666 50 0 KFAALO CC(C)CN(C(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000012690753 553413012 /nfs/dbraw/zinc/41/30/12/553413012.db2.gz HURSYCYTSLNWPP-UHFFFAOYSA-N 1 2 522.635 2.685 50 0 KFAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000012693251 553413194 /nfs/dbraw/zinc/41/31/94/553413194.db2.gz LOSYNWVWMRBRBU-CQSZACIVSA-N 1 2 504.682 2.942 50 0 KFAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)CC1 ZINC000012693251 553413191 /nfs/dbraw/zinc/41/31/91/553413191.db2.gz LOSYNWVWMRBRBU-CQSZACIVSA-N 1 2 504.682 2.942 50 0 KFAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000012693258 553413135 /nfs/dbraw/zinc/41/31/35/553413135.db2.gz LOSYNWVWMRBRBU-AWEZNQCLSA-N 1 2 504.682 2.942 50 0 KFAALO Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)CC1 ZINC000012693258 553413134 /nfs/dbraw/zinc/41/31/34/553413134.db2.gz LOSYNWVWMRBRBU-AWEZNQCLSA-N 1 2 504.682 2.942 50 0 KFAALO COc1ccc(NC(=O)C[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1S(=O)(=O)N(C)C ZINC000012694839 553413148 /nfs/dbraw/zinc/41/31/48/553413148.db2.gz IYMXJYLVPCJQTQ-UHFFFAOYSA-N 1 2 515.558 2.510 50 0 KFAALO COc1ccc(NC(=O)C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1S(=O)(=O)N(C)C ZINC000012694839 553413146 /nfs/dbraw/zinc/41/31/46/553413146.db2.gz IYMXJYLVPCJQTQ-UHFFFAOYSA-N 1 2 515.558 2.510 50 0 KFAALO CS(=O)(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000012854454 553422075 /nfs/dbraw/zinc/42/20/75/553422075.db2.gz ZARFLAJVKKSPON-UHFFFAOYSA-N 1 2 513.641 2.849 50 0 KFAALO CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000012859534 553422814 /nfs/dbraw/zinc/42/28/14/553422814.db2.gz CJSNJNQKVYPKLD-UHFFFAOYSA-N 1 2 512.554 2.742 50 0 KFAALO COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2C)cc1Cl ZINC000012931757 553427687 /nfs/dbraw/zinc/42/76/87/553427687.db2.gz AKCNURSHJITVPI-UHFFFAOYSA-N 1 2 512.028 2.919 50 0 KFAALO CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1Cl ZINC000013015209 553432808 /nfs/dbraw/zinc/43/28/08/553432808.db2.gz VAJGFMQTJJPKGY-UHFFFAOYSA-N 1 2 523.055 2.776 50 0 KFAALO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013129331 553450604 /nfs/dbraw/zinc/45/06/04/553450604.db2.gz HQXMXBJQJUIZQU-UHFFFAOYSA-N 1 2 507.612 2.951 50 0 KFAALO CN1CCN(C(=O)c2cc(Oc3c(F)c(F)c(F)c(F)c3F)cc(C(=O)N3CC[NH+](C)CC3)c2)CC1 ZINC000013138833 553453793 /nfs/dbraw/zinc/45/37/93/553453793.db2.gz RTPFYBFBEIBBSN-UHFFFAOYSA-N 1 2 512.479 2.950 50 0 KFAALO O=C([C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013550992 553470438 /nfs/dbraw/zinc/47/04/38/553470438.db2.gz XUMDLSPMECLYGW-VXNXHJTFSA-N 1 2 503.599 2.846 50 0 KFAALO O=S(=O)(c1cccc(-c2cs/c(=N\c3ccccc3)n2CC[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000013751468 553487947 /nfs/dbraw/zinc/48/79/47/553487947.db2.gz IGOKADLQWYFAHM-QPLCGJKRSA-N 1 2 514.673 2.802 50 0 KFAALO Cc1cc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)ccc1Br ZINC000013896562 553494890 /nfs/dbraw/zinc/49/48/90/553494890.db2.gz OHHWDNUZTAIBHX-UHFFFAOYSA-N 1 2 524.437 2.597 50 0 KFAALO O=C(NCCCn1cc[nH+]c1)C1CCN(C(=O)[C@@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000013940465 553496322 /nfs/dbraw/zinc/49/63/22/553496322.db2.gz VXYXGDPBXCMPGG-HSZRJFAPSA-N 1 2 509.994 2.567 50 0 KFAALO O=C(NCCCn1cc[nH+]c1)C1CCN(C(=O)[C@H](C(=O)c2ccccc2)n2cc(Cl)ccc2=O)CC1 ZINC000013940466 553496309 /nfs/dbraw/zinc/49/63/09/553496309.db2.gz VXYXGDPBXCMPGG-QHCPKHFHSA-N 1 2 509.994 2.567 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014534799 553517852 /nfs/dbraw/zinc/51/78/52/553517852.db2.gz BLRZLIWLPBZKLP-HSZRJFAPSA-N 1 2 517.630 2.857 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CC(=O)N(CCc2ccccc2)C1 ZINC000014534800 553517872 /nfs/dbraw/zinc/51/78/72/553517872.db2.gz BLRZLIWLPBZKLP-QHCPKHFHSA-N 1 2 517.630 2.857 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](Cc2cccc3nccnc23)C1 ZINC000014538714 1059761407 /nfs/dbraw/zinc/76/14/07/1059761407.db2.gz RNMXJLCHLUPHSA-XMMPIXPASA-N 1 2 505.619 2.736 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](Cc2cccc3nccnc23)C1 ZINC000014538714 1059761388 /nfs/dbraw/zinc/76/13/88/1059761388.db2.gz RNMXJLCHLUPHSA-XMMPIXPASA-N 1 2 505.619 2.736 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](Cc2cccc3nccnc23)C1 ZINC000014538715 1059761608 /nfs/dbraw/zinc/76/16/08/1059761608.db2.gz RNMXJLCHLUPHSA-DEOSSOPVSA-N 1 2 505.619 2.736 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](Cc2cccc3nccnc23)C1 ZINC000014538715 1059761592 /nfs/dbraw/zinc/76/15/92/1059761592.db2.gz RNMXJLCHLUPHSA-DEOSSOPVSA-N 1 2 505.619 2.736 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000014743381 553519917 /nfs/dbraw/zinc/51/99/17/553519917.db2.gz PMLGYNLDWOGBBM-RUZDIDTESA-N 1 2 511.619 2.580 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000014743381 553519915 /nfs/dbraw/zinc/51/99/15/553519915.db2.gz PMLGYNLDWOGBBM-RUZDIDTESA-N 1 2 511.619 2.580 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000014743382 553519869 /nfs/dbraw/zinc/51/98/69/553519869.db2.gz PMLGYNLDWOGBBM-VWLOTQADSA-N 1 2 511.619 2.580 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000014743382 553519867 /nfs/dbraw/zinc/51/98/67/553519867.db2.gz PMLGYNLDWOGBBM-VWLOTQADSA-N 1 2 511.619 2.580 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000014743800 553519937 /nfs/dbraw/zinc/51/99/37/553519937.db2.gz GBCYJNFPXWWXRB-AREMUKBSSA-N 1 2 510.635 2.752 50 0 KFAALO CCN(CC)C(=O)CO[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000014743800 553519935 /nfs/dbraw/zinc/51/99/35/553519935.db2.gz GBCYJNFPXWWXRB-AREMUKBSSA-N 1 2 510.635 2.752 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000014743801 553519965 /nfs/dbraw/zinc/51/99/65/553519965.db2.gz GBCYJNFPXWWXRB-SANMLTNESA-N 1 2 510.635 2.752 50 0 KFAALO CCN(CC)C(=O)CO[C@@H]1CN(Cc2ccc(OC)cc2)C(=O)C[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000014743801 553519963 /nfs/dbraw/zinc/51/99/63/553519963.db2.gz GBCYJNFPXWWXRB-SANMLTNESA-N 1 2 510.635 2.752 50 0 KFAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)[N@@H+](Cc3cccc(Cl)c3)C2)nn1 ZINC000014886519 553521336 /nfs/dbraw/zinc/52/13/36/553521336.db2.gz LRVBXHFPZBOTJN-VWNXMTODSA-N 1 2 509.010 2.883 50 0 KFAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4)CC3)[N@H+](Cc3cccc(Cl)c3)C2)nn1 ZINC000014886519 553521334 /nfs/dbraw/zinc/52/13/34/553521334.db2.gz LRVBXHFPZBOTJN-VWNXMTODSA-N 1 2 509.010 2.883 50 0 KFAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)c(=O)[nH]2)CC1 ZINC000014998142 553524628 /nfs/dbraw/zinc/52/46/28/553524628.db2.gz ZPKHMXSDPLPEKH-OAQYLSRUSA-N 1 2 504.587 2.666 50 0 KFAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC[C@H]3COc4ccccc4O3)c(=O)[nH]2)CC1 ZINC000014998145 553524601 /nfs/dbraw/zinc/52/46/01/553524601.db2.gz ZPKHMXSDPLPEKH-NRFANRHFSA-N 1 2 504.587 2.666 50 0 KFAALO Cc1cc(-c2ccc(OCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000015001886 553525004 /nfs/dbraw/zinc/52/50/04/553525004.db2.gz SBTLOADTPVSUEV-JOCHJYFZSA-N 1 2 509.628 2.725 50 0 KFAALO Cc1cc(-c2ccc(OCC(=O)N[C@H]3CCS(=O)(=O)C3)c(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000015001889 553524964 /nfs/dbraw/zinc/52/49/64/553524964.db2.gz SBTLOADTPVSUEV-QFIPXVFZSA-N 1 2 509.628 2.725 50 0 KFAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](Cc3cccc(O)c3)C2)nn1 ZINC000015002651 553524867 /nfs/dbraw/zinc/52/48/67/553524867.db2.gz ZTVKHHXZLTYWNM-NQIIRXRSSA-N 1 2 503.481 2.921 50 0 KFAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](Cc3cccc(O)c3)C2)nn1 ZINC000015002651 553524864 /nfs/dbraw/zinc/52/48/64/553524864.db2.gz ZTVKHHXZLTYWNM-NQIIRXRSSA-N 1 2 503.481 2.921 50 0 KFAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@@H+](Cc3ccc(F)cc3)C2)nn1 ZINC000015069224 1059763162 /nfs/dbraw/zinc/76/31/62/1059763162.db2.gz LGVOMFWDIAKKSC-UPVQGACJSA-N 1 2 510.545 2.507 50 0 KFAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3ccc(F)cc3)C2)nn1 ZINC000015069224 1059763139 /nfs/dbraw/zinc/76/31/39/1059763139.db2.gz LGVOMFWDIAKKSC-UPVQGACJSA-N 1 2 510.545 2.507 50 0 KFAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)c3cc(=O)n(C)c(=O)n3C)c2cc1OC ZINC000015108749 553528057 /nfs/dbraw/zinc/52/80/57/553528057.db2.gz LUOWATONTQLNKU-UHFFFAOYSA-N 1 2 520.542 2.510 50 0 KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCc4cccs4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414882 553532868 /nfs/dbraw/zinc/53/28/68/553532868.db2.gz XADPTNSBKZDHIE-OAQYLSRUSA-N 1 2 504.572 2.968 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCc4cccs4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414882 553532865 /nfs/dbraw/zinc/53/28/65/553532865.db2.gz XADPTNSBKZDHIE-OAQYLSRUSA-N 1 2 504.572 2.968 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCc4cccs4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414885 553532885 /nfs/dbraw/zinc/53/28/85/553532885.db2.gz XADPTNSBKZDHIE-NRFANRHFSA-N 1 2 504.572 2.968 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCc4cccs4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414885 553532882 /nfs/dbraw/zinc/53/28/82/553532882.db2.gz XADPTNSBKZDHIE-NRFANRHFSA-N 1 2 504.572 2.968 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCc4ccccc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414933 553532768 /nfs/dbraw/zinc/53/27/68/553532768.db2.gz XYDGLNJMZSKRMM-XMMPIXPASA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)NCCc4ccccc4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414933 553532765 /nfs/dbraw/zinc/53/27/65/553532765.db2.gz XYDGLNJMZSKRMM-XMMPIXPASA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCc4ccccc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000015414934 553532760 /nfs/dbraw/zinc/53/27/60/553532760.db2.gz XYDGLNJMZSKRMM-DEOSSOPVSA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)NCCc4ccccc4)cc1)[N@H+](C)CC3)OCO2 ZINC000015414934 553532758 /nfs/dbraw/zinc/53/27/58/553532758.db2.gz XYDGLNJMZSKRMM-DEOSSOPVSA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NCCc4ccccc4)c1)[N@@H+](C)CC3)OCO2 ZINC000015415425 553533005 /nfs/dbraw/zinc/53/30/05/553533005.db2.gz KRFFDJNVNZNBGU-XMMPIXPASA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)NCCc4ccccc4)c1)[N@H+](C)CC3)OCO2 ZINC000015415425 553533002 /nfs/dbraw/zinc/53/30/02/553533002.db2.gz KRFFDJNVNZNBGU-XMMPIXPASA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NCCc4ccccc4)c1)[N@@H+](C)CC3)OCO2 ZINC000015415428 553533042 /nfs/dbraw/zinc/53/30/42/553533042.db2.gz KRFFDJNVNZNBGU-DEOSSOPVSA-N 1 2 512.570 2.949 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)NCCc4ccccc4)c1)[N@H+](C)CC3)OCO2 ZINC000015415428 553533039 /nfs/dbraw/zinc/53/30/39/553533039.db2.gz KRFFDJNVNZNBGU-DEOSSOPVSA-N 1 2 512.570 2.949 50 0 biogenic KFAALO CCOc1cc2[nH]c(=S)n(Cc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)c(=O)c2cc1OCC ZINC000015936781 553543072 /nfs/dbraw/zinc/54/30/72/553543072.db2.gz DBDNXLOVXNUXRP-UHFFFAOYSA-N 1 2 526.659 2.983 50 0 KFAALO CN(C)S(=O)(=O)c1cccc(CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)c1 ZINC000016044062 553553567 /nfs/dbraw/zinc/55/35/67/553553567.db2.gz YPUDSHFANSJAAH-UHFFFAOYSA-N 1 2 502.662 2.661 50 0 KFAALO O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000016319369 553560006 /nfs/dbraw/zinc/56/00/06/553560006.db2.gz QYCOZHLHKQJXBL-UHFFFAOYSA-N 1 2 523.611 2.617 50 0 KFAALO NC(=O)COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000016742435 553580409 /nfs/dbraw/zinc/58/04/09/553580409.db2.gz WFVWTCPWXIBLDU-QHCPKHFHSA-N 1 2 511.962 2.578 50 0 KFAALO NC(=O)COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000016742436 553580448 /nfs/dbraw/zinc/58/04/48/553580448.db2.gz WFVWTCPWXIBLDU-HSZRJFAPSA-N 1 2 511.962 2.578 50 0 KFAALO Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(OCC(N)=O)cc1)N(CCC[NH+]1CCOCC1)C3=O ZINC000016750640 553580620 /nfs/dbraw/zinc/58/06/20/553580620.db2.gz QOERZABKWYBEFO-VWLOTQADSA-N 1 2 505.571 2.541 50 0 KFAALO Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(OCC(N)=O)cc1)N(CCC[NH+]1CCOCC1)C3=O ZINC000016750643 553580595 /nfs/dbraw/zinc/58/05/95/553580595.db2.gz QOERZABKWYBEFO-RUZDIDTESA-N 1 2 505.571 2.541 50 0 KFAALO COc1cn(CC(=O)Nc2ccc(NC(C)=O)cc2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000016890479 553583705 /nfs/dbraw/zinc/58/37/05/553583705.db2.gz FENBSAHISYAGMD-UHFFFAOYSA-N 1 2 507.566 2.915 50 0 KFAALO COc1cn(CC(=O)Nc2cccc(NC(C)=O)c2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000016890562 553583700 /nfs/dbraw/zinc/58/37/00/553583700.db2.gz LDOQTONAYTZIEV-UHFFFAOYSA-N 1 2 507.566 2.915 50 0 KFAALO COC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016974603 553585751 /nfs/dbraw/zinc/58/57/51/553585751.db2.gz HGBWPSTWVCFAOP-UHFFFAOYSA-N 1 2 508.550 2.744 50 0 KFAALO COc1cn(CC(=O)Nc2ccc3c(c2)OCCO3)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1=O ZINC000016974618 553585815 /nfs/dbraw/zinc/58/58/15/553585815.db2.gz ITYSJEKNHXIZKY-UHFFFAOYSA-N 1 2 508.550 2.728 50 0 KFAALO CCOC(=O)c1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000017306567 553592757 /nfs/dbraw/zinc/59/27/57/553592757.db2.gz IHPUYNZWIQODFR-UHFFFAOYSA-N 1 2 504.587 2.995 50 0 KFAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)NCc1ccco1 ZINC000017433994 553595980 /nfs/dbraw/zinc/59/59/80/553595980.db2.gz BFQANTGWZCVHEO-UHFFFAOYSA-N 1 2 568.685 2.900 50 0 KFAALO COc1ccc(-n2nc(C(=O)NCC(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3c2=O)cc1Cl ZINC000017434155 553596225 /nfs/dbraw/zinc/59/62/25/553596225.db2.gz WQHIHOVDDWJMJK-UHFFFAOYSA-N 1 2 532.988 2.521 50 0 KFAALO CCCCNC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1 ZINC000017527482 553596751 /nfs/dbraw/zinc/59/67/51/553596751.db2.gz MYWJLSHACYKISP-UHFFFAOYSA-N 1 2 544.707 2.907 50 0 KFAALO O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c(NC(=S)NCC[NH+]2CCOCC2)c1 ZINC000017527637 553597057 /nfs/dbraw/zinc/59/70/57/553597057.db2.gz BQPVUNDBXDYENK-UHFFFAOYSA-N 1 2 540.111 2.596 50 0 KFAALO CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc1 ZINC000017527660 553597085 /nfs/dbraw/zinc/59/70/85/553597085.db2.gz XECUIAGKUXUSDE-UHFFFAOYSA-N 1 2 548.665 2.924 50 0 KFAALO CCOC(=O)c1c2ccc(Br)c(OC[C@@H](O)C[NH+]3CCOCC3)c2sc1NC(C)=O ZINC000017903323 553600411 /nfs/dbraw/zinc/60/04/11/553600411.db2.gz RDIAGXMOVLEVTA-ZDUSSCGKSA-N 1 2 501.399 2.871 50 0 KFAALO CCOC(=O)c1c2ccc(Br)c(OC[C@H](O)C[NH+]3CCOCC3)c2sc1NC(C)=O ZINC000017903326 553600722 /nfs/dbraw/zinc/60/07/22/553600722.db2.gz RDIAGXMOVLEVTA-CYBMUJFWSA-N 1 2 501.399 2.871 50 0 KFAALO O=C([C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000018123082 553605441 /nfs/dbraw/zinc/60/54/41/553605441.db2.gz XUMDLSPMECLYGW-TZRRMPRUSA-N 1 2 503.599 2.846 50 0 KFAALO CCn1cc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000019723174 553615610 /nfs/dbraw/zinc/61/56/10/553615610.db2.gz FNQAQOYIBYFBON-QJOMJCCJSA-N 1 2 506.603 2.898 50 0 KFAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2)CC1 ZINC000019743967 553615805 /nfs/dbraw/zinc/61/58/05/553615805.db2.gz MIISADOZHIEROF-HSZRJFAPSA-N 1 2 533.629 2.900 50 0 KFAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(C(=O)c4cnc5ccccn5c4=O)C3)cc2)CC1 ZINC000019743969 553615625 /nfs/dbraw/zinc/61/56/25/553615625.db2.gz MIISADOZHIEROF-QHCPKHFHSA-N 1 2 533.629 2.900 50 0 KFAALO COc1cccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000019799530 553617196 /nfs/dbraw/zinc/61/71/96/553617196.db2.gz XNSVLZGUVDWERK-UHFFFAOYSA-N 1 2 523.611 2.964 50 0 KFAALO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000019809260 553618094 /nfs/dbraw/zinc/61/80/94/553618094.db2.gz ADXUSIZIQPUCLL-QHCPKHFHSA-N 1 2 512.632 2.757 50 0 KFAALO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000019809262 553618164 /nfs/dbraw/zinc/61/81/64/553618164.db2.gz ADXUSIZIQPUCLL-HSZRJFAPSA-N 1 2 512.632 2.757 50 0 KFAALO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000019810165 553618087 /nfs/dbraw/zinc/61/80/87/553618087.db2.gz PHKLSLGCBHDJGL-QFIPXVFZSA-N 1 2 510.616 2.526 50 0 KFAALO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000019810169 553618174 /nfs/dbraw/zinc/61/81/74/553618174.db2.gz PHKLSLGCBHDJGL-JOCHJYFZSA-N 1 2 510.616 2.526 50 0 KFAALO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CC[NH+]3CCOCC3)C2=S)cc1 ZINC000019810198 553618132 /nfs/dbraw/zinc/61/81/32/553618132.db2.gz GNRARTGRMAJGMM-QFIPXVFZSA-N 1 2 528.606 2.666 50 0 KFAALO COc1ccc(/C=C(\C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n2ccccc2=O)cc1OC ZINC000019831403 553622756 /nfs/dbraw/zinc/62/27/56/553622756.db2.gz FDBXCZSFBTZCIW-PXLXIMEGSA-N 1 2 503.555 2.937 50 0 KFAALO Cc1ccc(S(=O)(=O)NC(C)(C)CN2CC[NH+](CC(C)(C)NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000019832601 553623359 /nfs/dbraw/zinc/62/33/59/553623359.db2.gz IYZHZXZQRMBSBP-UHFFFAOYSA-N 1 2 536.764 2.735 50 0 KFAALO O=C([C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019860900 553628956 /nfs/dbraw/zinc/62/89/56/553628956.db2.gz KVUQMEWVDFNNTQ-OAQYLSRUSA-N 1 2 520.051 2.955 50 0 KFAALO O=C([C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019860901 553628866 /nfs/dbraw/zinc/62/88/66/553628866.db2.gz KVUQMEWVDFNNTQ-NRFANRHFSA-N 1 2 520.051 2.955 50 0 KFAALO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CS1)sc1c3nnnc1NCC[NH+]1CCOCC1 ZINC000020029527 553664109 /nfs/dbraw/zinc/66/41/09/553664109.db2.gz CUSWZTBJVHWOLT-UHFFFAOYSA-N 1 2 501.682 2.783 50 0 KFAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCC[NH+]3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000020111204 553693707 /nfs/dbraw/zinc/69/37/07/553693707.db2.gz OSPXGYHIVDMYAG-QFIPXVFZSA-N 1 2 511.619 2.997 50 0 biogenic KFAALO O=C(NCC[NH+]1CCOCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000020112421 553694259 /nfs/dbraw/zinc/69/42/59/553694259.db2.gz RSNSZHZHSLJGAG-NRFANRHFSA-N 1 2 509.788 2.748 50 0 KFAALO O=C(NCC[NH+]1CCOCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000020112423 553694611 /nfs/dbraw/zinc/69/46/11/553694611.db2.gz RSNSZHZHSLJGAG-OAQYLSRUSA-N 1 2 509.788 2.748 50 0 KFAALO O=C(c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020117005 553697621 /nfs/dbraw/zinc/69/76/21/553697621.db2.gz QXANYMMYHCOMSB-UHFFFAOYSA-N 1 2 512.566 2.619 50 0 KFAALO O=C(C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020211521 553610905 /nfs/dbraw/zinc/61/09/05/553610905.db2.gz UBNMLNBRRMDQJY-UHFFFAOYSA-N 1 2 522.627 2.709 50 0 KFAALO CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CC[NH+](Cc4ccccc4)CC2)cn3C)CC1 ZINC000020240320 553626486 /nfs/dbraw/zinc/62/64/86/553626486.db2.gz ZVLNRSMIUYQRJI-UHFFFAOYSA-N 1 2 522.671 2.917 50 0 KFAALO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000020240352 553626474 /nfs/dbraw/zinc/62/64/74/553626474.db2.gz HVMQDJIKFFVYFJ-UHFFFAOYSA-N 1 2 508.644 2.764 50 0 KFAALO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000020240464 553626447 /nfs/dbraw/zinc/62/64/47/553626447.db2.gz HLTRUMCTQJAVDW-UHFFFAOYSA-N 1 2 508.644 2.546 50 0 KFAALO O=C(Nc1ccc(I)cc1C(=O)N1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000020294405 553635642 /nfs/dbraw/zinc/63/56/42/553635642.db2.gz FVJCBBJHBIOUEV-UHFFFAOYSA-N 1 2 513.763 2.947 50 0 KFAALO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC[C@@H]2CCCO2)C[N@H+](C)CC4)cc1 ZINC000020436010 553648299 /nfs/dbraw/zinc/64/82/99/553648299.db2.gz CBIPUSCUCBLNNV-KRWDZBQOSA-N 1 2 500.646 2.831 50 0 KFAALO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC[C@@H]2CCCO2)C[N@@H+](C)CC4)cc1 ZINC000020436010 553648298 /nfs/dbraw/zinc/64/82/98/553648298.db2.gz CBIPUSCUCBLNNV-KRWDZBQOSA-N 1 2 500.646 2.831 50 0 KFAALO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC[C@H]2CCCO2)C[N@H+](C)CC4)cc1 ZINC000020436015 553648382 /nfs/dbraw/zinc/64/83/82/553648382.db2.gz CBIPUSCUCBLNNV-QGZVFWFLSA-N 1 2 500.646 2.831 50 0 KFAALO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)NC[C@H]2CCCO2)C[N@@H+](C)CC4)cc1 ZINC000020436015 553648380 /nfs/dbraw/zinc/64/83/80/553648380.db2.gz CBIPUSCUCBLNNV-QGZVFWFLSA-N 1 2 500.646 2.831 50 0 KFAALO CCOC(=O)c1sc2c(ccc(Br)c2OC[C@H](O)C[NH+]2CCOCC2)c1NC(C)=O ZINC000020458588 553654343 /nfs/dbraw/zinc/65/43/43/553654343.db2.gz RRLLRALBSLSMOM-CYBMUJFWSA-N 1 2 501.399 2.871 50 0 KFAALO CCOC(=O)c1c(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(OC)ccc2n1C ZINC000020502902 553667717 /nfs/dbraw/zinc/66/77/17/553667717.db2.gz KWLGDOUAZXIFAV-UHFFFAOYSA-N 1 2 508.575 2.849 50 0 KFAALO O=S(=O)(N1CCCCC1)N1CC[NH+](C[C@@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000020511971 553668723 /nfs/dbraw/zinc/66/87/23/553668723.db2.gz CTAAADFWKIBZAK-OAQYLSRUSA-N 1 2 512.470 2.690 50 0 KFAALO O=S(=O)(N1CCCCC1)N1CC[NH+](C[C@H](O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000020511974 553668797 /nfs/dbraw/zinc/66/87/97/553668797.db2.gz CTAAADFWKIBZAK-NRFANRHFSA-N 1 2 512.470 2.690 50 0 KFAALO O=C([C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020557011 553671694 /nfs/dbraw/zinc/67/16/94/553671694.db2.gz GDZCUWPVMKHNEI-OAQYLSRUSA-N 1 2 517.634 2.842 50 0 KFAALO O=C([C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020557013 553671683 /nfs/dbraw/zinc/67/16/83/553671683.db2.gz GDZCUWPVMKHNEI-NRFANRHFSA-N 1 2 517.634 2.842 50 0 KFAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@@H]1c1cccs1 ZINC000020559158 553671628 /nfs/dbraw/zinc/67/16/28/553671628.db2.gz SECSGCHKGSHFHM-JOCHJYFZSA-N 1 2 530.647 2.763 50 0 KFAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@H]1c1cccs1 ZINC000020559160 553671713 /nfs/dbraw/zinc/67/17/13/553671713.db2.gz SECSGCHKGSHFHM-QFIPXVFZSA-N 1 2 530.647 2.763 50 0 KFAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)NC[C@@H]1CCCO1 ZINC000020640943 553681455 /nfs/dbraw/zinc/68/14/55/553681455.db2.gz NJBQMJVGQKXXTM-KRWDZBQOSA-N 1 2 502.662 2.721 50 0 KFAALO O=C(CSc1nc2c3ccccc3sc2c(=O)n1CCC[NH+]1CCOCC1)NC[C@H]1CCCO1 ZINC000020640946 553681736 /nfs/dbraw/zinc/68/17/36/553681736.db2.gz NJBQMJVGQKXXTM-QGZVFWFLSA-N 1 2 502.662 2.721 50 0 KFAALO O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020642589 553682296 /nfs/dbraw/zinc/68/22/96/553682296.db2.gz YLLIEYISYYYYLT-NRFANRHFSA-N 1 2 508.623 2.602 50 0 KFAALO O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020642591 553682362 /nfs/dbraw/zinc/68/23/62/553682362.db2.gz YLLIEYISYYYYLT-OAQYLSRUSA-N 1 2 508.623 2.602 50 0 KFAALO O=C(c1ccc2c(c1)[nH]c(=S)n(C[C@@H]1CCCO1)c2=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020643860 553683788 /nfs/dbraw/zinc/68/37/88/553683788.db2.gz DJUMOJTZAWMMHC-IBGZPJMESA-N 1 2 508.600 2.925 50 0 KFAALO O=C(c1ccc2c(c1)[nH]c(=S)n(C[C@H]1CCCO1)c2=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020643863 553683746 /nfs/dbraw/zinc/68/37/46/553683746.db2.gz DJUMOJTZAWMMHC-LJQANCHMSA-N 1 2 508.600 2.925 50 0 KFAALO O=C(CCCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020644449 553684623 /nfs/dbraw/zinc/68/46/23/553684623.db2.gz VMSHLXFJJOYZGH-UHFFFAOYSA-N 1 2 510.572 2.641 50 0 KFAALO O=C(CCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000020644459 553684721 /nfs/dbraw/zinc/68/47/21/553684721.db2.gz QYZQZAPOUZATIG-UHFFFAOYSA-N 1 2 513.595 2.645 50 0 KFAALO CCN1CC[NH+](CCCNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4[nH]c3=S)OCO5)cc2)CC1 ZINC000020644469 553684736 /nfs/dbraw/zinc/68/47/36/553684736.db2.gz HCWFAJNQNQKURK-UHFFFAOYSA-N 1 2 509.632 2.593 50 0 KFAALO CC[NH+]1CCN(CCCNC(=O)c2ccc(Cn3c(=O)c4cc5c(cc4[nH]c3=S)OCO5)cc2)CC1 ZINC000020644469 553684734 /nfs/dbraw/zinc/68/47/34/553684734.db2.gz HCWFAJNQNQKURK-UHFFFAOYSA-N 1 2 509.632 2.593 50 0 KFAALO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000020714075 553689697 /nfs/dbraw/zinc/68/96/97/553689697.db2.gz LDYSVNRSVYTSIK-UHFFFAOYSA-N 1 2 519.621 2.787 50 0 KFAALO CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCC[NH+]4CCOCC4)c3c2)CC1 ZINC000020726937 553690187 /nfs/dbraw/zinc/69/01/87/553690187.db2.gz TVLDHIJLQOEYKO-UHFFFAOYSA-N 1 2 523.659 2.779 50 0 KFAALO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12 ZINC000020756320 553695117 /nfs/dbraw/zinc/69/51/17/553695117.db2.gz SRTHROLDXWTPAO-UHFFFAOYSA-N 1 2 507.660 2.983 50 0 KFAALO CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3ncc(C(=O)NCCC[NH+]4CCOCC4)c(O)c3c2)cc1 ZINC000020765295 553697038 /nfs/dbraw/zinc/69/70/38/553697038.db2.gz LVOSZTHLZYTYLQ-UHFFFAOYSA-N 1 2 526.659 2.929 50 0 KFAALO O=C(c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(F)cc1)N2)N1CCN(c2cccc[nH+]2)CC1 ZINC000020767983 553697744 /nfs/dbraw/zinc/69/77/44/553697744.db2.gz BKSOCHNZKCQTHH-QHCPKHFHSA-N 1 2 523.590 2.531 50 0 KFAALO O=C(c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(F)cc1)N2)N1CCN(c2cccc[nH+]2)CC1 ZINC000020767988 553697696 /nfs/dbraw/zinc/69/76/96/553697696.db2.gz BKSOCHNZKCQTHH-HSZRJFAPSA-N 1 2 523.590 2.531 50 0 KFAALO O=S(=O)(c1ccccc1C(F)(F)F)N1CCN(CCOc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000020997514 1059075633 /nfs/dbraw/zinc/07/56/33/1059075633.db2.gz VHOAMWUSBZIXQS-UHFFFAOYSA-N 1 2 513.582 2.923 50 0 KFAALO O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000021548740 553712226 /nfs/dbraw/zinc/71/22/26/553712226.db2.gz BSNWFWNRFXNIKL-UHFFFAOYSA-N 1 2 506.024 2.814 50 0 KFAALO CCCN1C(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2C[C@@]1(C)C(=O)NC1CCCC1 ZINC000021877808 553719675 /nfs/dbraw/zinc/71/96/75/553719675.db2.gz SMDZLWJLHBOTHW-NDEPHWFRSA-N 1 2 506.651 2.524 50 0 KFAALO CCCN1C(=O)c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1 ZINC000021877810 553719692 /nfs/dbraw/zinc/71/96/92/553719692.db2.gz SMDZLWJLHBOTHW-MUUNZHRXSA-N 1 2 506.651 2.524 50 0 KFAALO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000022448696 553742394 /nfs/dbraw/zinc/74/23/94/553742394.db2.gz CBVCZFGXHXORBI-PXQQMZJSSA-N 1 2 613.803 2.867 50 0 fda KFAALO CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC[N@@H+]1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000022448696 553742392 /nfs/dbraw/zinc/74/23/92/553742392.db2.gz CBVCZFGXHXORBI-PXQQMZJSSA-N 1 2 613.803 2.867 50 0 fda KFAALO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000022448696 553742390 /nfs/dbraw/zinc/74/23/90/553742390.db2.gz CBVCZFGXHXORBI-PXQQMZJSSA-N 1 2 613.803 2.867 50 0 fda KFAALO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000022448696 553742388 /nfs/dbraw/zinc/74/23/88/553742388.db2.gz CBVCZFGXHXORBI-PXQQMZJSSA-N 1 2 613.803 2.867 50 0 fda KFAALO COCCOCC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1 ZINC000022669180 553749496 /nfs/dbraw/zinc/74/94/96/553749496.db2.gz DQEAIUVIMCAOPI-RUZDIDTESA-N 1 2 500.592 2.547 50 0 KFAALO COCCOCC(=O)N1CC[NH+](C[C@H](OCc2ccc(C(=O)OC)cc2)c2cccc(OC)c2)CC1 ZINC000022669183 553749403 /nfs/dbraw/zinc/74/94/03/553749403.db2.gz DQEAIUVIMCAOPI-VWLOTQADSA-N 1 2 500.592 2.547 50 0 KFAALO O=S(=O)(NCCCN1CC[NH+](CCCNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 ZINC000022789541 553750266 /nfs/dbraw/zinc/75/02/66/553750266.db2.gz VXQJRKJFZWJGAT-UHFFFAOYSA-N 1 2 549.546 2.648 50 0 KFAALO O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN1CC[NH+](CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000022790743 553750672 /nfs/dbraw/zinc/75/06/72/553750672.db2.gz YYIMYRBMCMXOQK-NXZHAISVSA-N 1 2 548.640 2.501 50 0 KFAALO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1C ZINC000022798090 553750957 /nfs/dbraw/zinc/75/09/57/553750957.db2.gz VPWCTKXWRDTLQV-HXUWFJFHSA-N 1 2 516.664 2.899 50 0 KFAALO CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1C ZINC000022798097 553751098 /nfs/dbraw/zinc/75/10/98/553751098.db2.gz VPWCTKXWRDTLQV-FQEVSTJZSA-N 1 2 516.664 2.899 50 0 KFAALO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022916817 553766877 /nfs/dbraw/zinc/76/68/77/553766877.db2.gz JZPWTQMZUSYHQA-JOCHJYFZSA-N 1 2 501.583 2.696 50 0 KFAALO CC(=O)c1ccccc1OC[C@H](O)CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022916817 553766875 /nfs/dbraw/zinc/76/68/75/553766875.db2.gz JZPWTQMZUSYHQA-JOCHJYFZSA-N 1 2 501.583 2.696 50 0 KFAALO CC(=O)c1ccccc1OC[C@@H](O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022916821 553766886 /nfs/dbraw/zinc/76/68/86/553766886.db2.gz JZPWTQMZUSYHQA-QFIPXVFZSA-N 1 2 501.583 2.696 50 0 KFAALO CC(=O)c1ccccc1OC[C@@H](O)CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022916821 553766885 /nfs/dbraw/zinc/76/68/85/553766885.db2.gz JZPWTQMZUSYHQA-QFIPXVFZSA-N 1 2 501.583 2.696 50 0 KFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000022919992 553766799 /nfs/dbraw/zinc/76/67/99/553766799.db2.gz YTNPUSKYYMYKJY-UHFFFAOYSA-N 1 2 514.648 2.736 50 0 KFAALO CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000022920306 553767102 /nfs/dbraw/zinc/76/71/02/553767102.db2.gz QMSREDXWDFDTBW-UHFFFAOYSA-N 1 2 522.627 2.997 50 0 KFAALO O=C(CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000022920489 553767112 /nfs/dbraw/zinc/76/71/12/553767112.db2.gz FQYDHIOYNXGLDS-UHFFFAOYSA-N 1 2 521.039 2.610 50 0 KFAALO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022924818 553767156 /nfs/dbraw/zinc/76/71/56/553767156.db2.gz DBEUGQGKKIJZPU-UHFFFAOYSA-N 1 2 526.634 2.806 50 0 KFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)c2)CC1 ZINC000023325596 553773091 /nfs/dbraw/zinc/77/30/91/553773091.db2.gz HUIROIILAQBKQF-UHFFFAOYSA-N 1 2 507.056 2.637 50 0 KFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4cc(F)ccc4Cl)CC3)c2)CC1 ZINC000023334950 553773841 /nfs/dbraw/zinc/77/38/41/553773841.db2.gz NMDSWORJPWSKRD-UHFFFAOYSA-N 1 2 525.046 2.776 50 0 KFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(N3CCN(C(=O)c4c(F)cccc4Cl)CC3)c2)CC1 ZINC000023335205 553773822 /nfs/dbraw/zinc/77/38/22/553773822.db2.gz IGKCLGJYZUGTCF-UHFFFAOYSA-N 1 2 525.046 2.776 50 0 KFAALO CN1CC[NH+](CCCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)CC1 ZINC000023480467 553787277 /nfs/dbraw/zinc/78/72/77/553787277.db2.gz GXZUGBUSRJHXJW-UHFFFAOYSA-N 1 2 530.492 2.863 50 0 KFAALO C[NH+]1CCN(CCCNC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)CC1 ZINC000023480467 553787275 /nfs/dbraw/zinc/78/72/75/553787275.db2.gz GXZUGBUSRJHXJW-UHFFFAOYSA-N 1 2 530.492 2.863 50 0 KFAALO C[C@@H](Sc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000023485564 553787316 /nfs/dbraw/zinc/78/73/16/553787316.db2.gz RFMXKZOGJQHSLQ-GOSISDBHSA-N 1 2 510.616 2.645 50 0 KFAALO C[C@H](Sc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000023485568 553787215 /nfs/dbraw/zinc/78/72/15/553787215.db2.gz RFMXKZOGJQHSLQ-SFHVURJKSA-N 1 2 510.616 2.645 50 0 KFAALO CCCCn1c(N)c(N(CC(C)C)C(=O)C[NH+]2CCN(c3cc(Cl)ccc3C)CC2)c(=O)[nH]c1=O ZINC000025391950 553807631 /nfs/dbraw/zinc/80/76/31/553807631.db2.gz DVZYFHRBJFBJNV-UHFFFAOYSA-N 1 2 505.063 2.692 50 0 KFAALO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000025480649 553809464 /nfs/dbraw/zinc/80/94/64/553809464.db2.gz CNVPQEJVHLJYLT-GOSISDBHSA-N 1 2 503.846 2.987 50 0 KFAALO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000025480652 553809454 /nfs/dbraw/zinc/80/94/54/553809454.db2.gz CNVPQEJVHLJYLT-SFHVURJKSA-N 1 2 503.846 2.987 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000026771740 553820958 /nfs/dbraw/zinc/82/09/58/553820958.db2.gz KNXKVPINDROMLS-XXPWESIGSA-N 1 2 510.344 2.652 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000026771740 553820956 /nfs/dbraw/zinc/82/09/56/553820956.db2.gz KNXKVPINDROMLS-XXPWESIGSA-N 1 2 510.344 2.652 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000026771741 553820806 /nfs/dbraw/zinc/82/08/06/553820806.db2.gz KNXKVPINDROMLS-MDTICMOCSA-N 1 2 510.344 2.652 50 0 biogenic KFAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000026771741 553820804 /nfs/dbraw/zinc/82/08/04/553820804.db2.gz KNXKVPINDROMLS-MDTICMOCSA-N 1 2 510.344 2.652 50 0 biogenic KFAALO O=C1c2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2-c2ccc(S(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cc21 ZINC000029747779 553848625 /nfs/dbraw/zinc/84/86/25/553848625.db2.gz OIIQWIABYRYSGF-UHFFFAOYSA-N 1 2 630.752 2.710 50 0 KFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000029748735 553850084 /nfs/dbraw/zinc/85/00/84/553850084.db2.gz PTDHWHZRHSCIOT-HSZRJFAPSA-N 1 2 568.700 2.658 50 0 KFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc21 ZINC000029748737 553850226 /nfs/dbraw/zinc/85/02/26/553850226.db2.gz PTDHWHZRHSCIOT-QHCPKHFHSA-N 1 2 568.700 2.658 50 0 KFAALO CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000029748997 553850811 /nfs/dbraw/zinc/85/08/11/553850811.db2.gz LBAQHWKZUIEKDZ-UHFFFAOYSA-N 1 2 556.685 2.803 50 0 KFAALO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029752492 553853316 /nfs/dbraw/zinc/85/33/16/553853316.db2.gz KAAHVWGMCXLZKK-QGZVFWFLSA-N 1 2 556.504 2.984 50 0 KFAALO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000029752494 553853440 /nfs/dbraw/zinc/85/34/40/553853440.db2.gz KAAHVWGMCXLZKK-KRWDZBQOSA-N 1 2 556.504 2.984 50 0 KFAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)cc1)c2=O ZINC000032959286 553881945 /nfs/dbraw/zinc/88/19/45/553881945.db2.gz WDQAHSUYMLOHSU-UHFFFAOYSA-N 1 2 501.568 2.818 50 0 KFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)c2)CC1 ZINC000032966545 553882413 /nfs/dbraw/zinc/88/24/13/553882413.db2.gz HTFREXIHMCAXHX-UHFFFAOYSA-N 1 2 507.056 2.994 50 0 KFAALO COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)N3CCC(C)CC3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033233 553892093 /nfs/dbraw/zinc/89/20/93/553892093.db2.gz YDYLHOULPDQSES-UHFFFAOYSA-N 1 2 502.637 2.786 50 0 KFAALO COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@@H](C)C3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033241 553892081 /nfs/dbraw/zinc/89/20/81/553892081.db2.gz SFTRUFCCCAXZLI-GOSISDBHSA-N 1 2 502.637 2.786 50 0 KFAALO COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)N3CCC[C@H](C)C3)ccc2N2CC[NH2+]CC2)c1 ZINC000033033242 553892066 /nfs/dbraw/zinc/89/20/66/553892066.db2.gz SFTRUFCCCAXZLI-SFHVURJKSA-N 1 2 502.637 2.786 50 0 KFAALO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000033058945 553904616 /nfs/dbraw/zinc/90/46/16/553904616.db2.gz QHXVHFRZDJJKOT-UVIRAJKCSA-N 1 2 534.654 2.920 50 0 KFAALO CC[C@H](C[NH+]1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1 ZINC000033058946 553904542 /nfs/dbraw/zinc/90/45/42/553904542.db2.gz QHXVHFRZDJJKOT-HYGBKTPJSA-N 1 2 534.654 2.920 50 0 KFAALO CCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)c2)no1 ZINC000033252341 553914132 /nfs/dbraw/zinc/91/41/32/553914132.db2.gz JWFPNMCCVUCLIR-UHFFFAOYSA-N 1 2 524.647 2.752 50 0 KFAALO COc1ccc(S(=O)(=O)Nc2cncc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000033266229 553916925 /nfs/dbraw/zinc/91/69/25/553916925.db2.gz IBYWIOLESRQPNK-UHFFFAOYSA-N 1 2 510.572 2.578 50 0 KFAALO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CC[NH+]3CCOCC3)C2=S)cc1 ZINC000033354459 553930061 /nfs/dbraw/zinc/93/00/61/553930061.db2.gz AZFCHAIRDMCMCW-HSZRJFAPSA-N 1 2 540.642 2.535 50 0 KFAALO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CC[NH+]3CCOCC3)C2=S)cc1 ZINC000033354462 553929930 /nfs/dbraw/zinc/92/99/30/553929930.db2.gz AZFCHAIRDMCMCW-QHCPKHFHSA-N 1 2 540.642 2.535 50 0 KFAALO O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000033356106 553939370 /nfs/dbraw/zinc/93/93/70/553939370.db2.gz FDEFUORINWJUBA-UHFFFAOYSA-N 1 2 556.504 2.984 50 0 KFAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1OC ZINC000033356464 553941682 /nfs/dbraw/zinc/94/16/82/553941682.db2.gz KZADBWDYCYZIOL-AREMUKBSSA-N 1 2 584.670 2.719 50 0 KFAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1OC ZINC000033356465 553941732 /nfs/dbraw/zinc/94/17/32/553941732.db2.gz KZADBWDYCYZIOL-SANMLTNESA-N 1 2 584.670 2.719 50 0 KFAALO COc1ccc(-n2nc(C(=O)NCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3c2=O)cc1Cl ZINC000033356739 553943983 /nfs/dbraw/zinc/94/39/83/553943983.db2.gz KZDOHRHVTCYMSZ-UHFFFAOYSA-N 1 2 590.036 2.851 50 0 KFAALO O=C(Nc1snnc1C(=O)N1CCN(Cc2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033436174 553960371 /nfs/dbraw/zinc/96/03/71/553960371.db2.gz AOLNZWSDGKAAGB-UHFFFAOYSA-N 1 2 505.648 2.846 50 0 KFAALO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000033749071 553971882 /nfs/dbraw/zinc/97/18/82/553971882.db2.gz ACKCYGFTOUKEJR-CMCWBKRRSA-N 1 2 510.344 2.806 50 0 biogenic KFAALO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000033749071 553971879 /nfs/dbraw/zinc/97/18/79/553971879.db2.gz ACKCYGFTOUKEJR-CMCWBKRRSA-N 1 2 510.344 2.806 50 0 biogenic KFAALO O=C(NCCc1ccccn1)c1csc(CN(CC[NH+]2CCOCC2)Cc2ccc3c(c2)OCO3)n1 ZINC000034670205 553982389 /nfs/dbraw/zinc/98/23/89/553982389.db2.gz VFYLICYIRCEFGS-UHFFFAOYSA-N 1 2 509.632 2.574 50 0 KFAALO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)CC1 ZINC000034685995 553988071 /nfs/dbraw/zinc/98/80/71/553988071.db2.gz ORKCZFKJFCBTAI-HXUWFJFHSA-N 1 2 513.520 2.948 50 0 KFAALO O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](C[C@H]2CN(C(=O)c3cnc4ccccc4n3)CCO2)CC1 ZINC000034685996 553987966 /nfs/dbraw/zinc/98/79/66/553987966.db2.gz ORKCZFKJFCBTAI-FQEVSTJZSA-N 1 2 513.520 2.948 50 0 KFAALO Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686203 553987998 /nfs/dbraw/zinc/98/79/98/553987998.db2.gz ONRBUVOQDJSCEA-VWLOTQADSA-N 1 2 516.038 2.729 50 0 KFAALO Cc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034686204 553988181 /nfs/dbraw/zinc/98/81/81/553988181.db2.gz ONRBUVOQDJSCEA-RUZDIDTESA-N 1 2 516.038 2.729 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000034691305 553989151 /nfs/dbraw/zinc/98/91/51/553989151.db2.gz BDQGVJUWTRTLQF-UPVQGACJSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000034691305 553989146 /nfs/dbraw/zinc/98/91/46/553989146.db2.gz BDQGVJUWTRTLQF-UPVQGACJSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000034691306 553989514 /nfs/dbraw/zinc/98/95/14/553989514.db2.gz BDQGVJUWTRTLQF-LADGPHEKSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000034691306 553989511 /nfs/dbraw/zinc/98/95/11/553989511.db2.gz BDQGVJUWTRTLQF-LADGPHEKSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](C[C@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000034691311 553989692 /nfs/dbraw/zinc/98/96/92/553989692.db2.gz NVYRMZRUCRQFGL-GMAHTHKFSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](C[C@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000034691311 553989690 /nfs/dbraw/zinc/98/96/90/553989690.db2.gz NVYRMZRUCRQFGL-GMAHTHKFSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000034691312 553989648 /nfs/dbraw/zinc/98/96/48/553989648.db2.gz NVYRMZRUCRQFGL-JTHBVZDNSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](C[C@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000034691312 553989643 /nfs/dbraw/zinc/98/96/43/553989643.db2.gz NVYRMZRUCRQFGL-JTHBVZDNSA-N 1 2 520.623 2.682 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034691641 553989578 /nfs/dbraw/zinc/98/95/78/553989578.db2.gz LODIJPPDFWAUAA-BDYUSTAISA-N 1 2 532.081 2.564 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034691641 553989574 /nfs/dbraw/zinc/98/95/74/553989574.db2.gz LODIJPPDFWAUAA-BDYUSTAISA-N 1 2 532.081 2.564 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034691642 553989745 /nfs/dbraw/zinc/98/97/45/553989745.db2.gz LODIJPPDFWAUAA-AHKZPQOWSA-N 1 2 532.081 2.564 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000034691642 553989742 /nfs/dbraw/zinc/98/97/42/553989742.db2.gz LODIJPPDFWAUAA-AHKZPQOWSA-N 1 2 532.081 2.564 50 0 KFAALO COc1cc(C(=O)N2CC[NH+](C[C@@H]3CN(Cc4cccc(F)c4F)CCO3)CC2)cc(OC)c1OC ZINC000034691803 553989718 /nfs/dbraw/zinc/98/97/18/553989718.db2.gz VTOLJYSDUIYJHW-HXUWFJFHSA-N 1 2 505.562 2.649 50 0 KFAALO COc1ccc(C[N@H+]2CCO[C@H](CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)cc1OC ZINC000034691903 553989534 /nfs/dbraw/zinc/98/95/34/553989534.db2.gz UZMXQRHQKNUCIG-DEOSSOPVSA-N 1 2 501.599 2.518 50 0 KFAALO COc1ccc(C[N@@H+]2CCO[C@H](CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)cc1OC ZINC000034691903 553989529 /nfs/dbraw/zinc/98/95/29/553989529.db2.gz UZMXQRHQKNUCIG-DEOSSOPVSA-N 1 2 501.599 2.518 50 0 KFAALO COc1ccc(C[N@H+]2CCO[C@@H](CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)cc1OC ZINC000034691904 553989591 /nfs/dbraw/zinc/98/95/91/553989591.db2.gz UZMXQRHQKNUCIG-XMMPIXPASA-N 1 2 501.599 2.518 50 0 KFAALO COc1ccc(C[N@@H+]2CCO[C@@H](CN(CCN3CCOCC3)C(=O)c3cccc(F)c3)C2)cc1OC ZINC000034691904 553989589 /nfs/dbraw/zinc/98/95/89/553989589.db2.gz UZMXQRHQKNUCIG-XMMPIXPASA-N 1 2 501.599 2.518 50 0 KFAALO O=C(c1ccc(F)cc1)N(CC[NH+]1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692045 553990028 /nfs/dbraw/zinc/99/00/28/553990028.db2.gz IXLXGHCDZLQZGY-HSZRJFAPSA-N 1 2 504.603 2.837 50 0 KFAALO O=C(c1ccc(F)cc1)N(CC[NH+]1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692046 553989964 /nfs/dbraw/zinc/98/99/64/553989964.db2.gz IXLXGHCDZLQZGY-QHCPKHFHSA-N 1 2 504.603 2.837 50 0 KFAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1 ZINC000034692049 553989909 /nfs/dbraw/zinc/98/99/09/553989909.db2.gz LCTNTAQMMFGLNA-XMMPIXPASA-N 1 2 516.639 2.707 50 0 KFAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1 ZINC000034692050 553989902 /nfs/dbraw/zinc/98/99/02/553989902.db2.gz LCTNTAQMMFGLNA-DEOSSOPVSA-N 1 2 516.639 2.707 50 0 KFAALO O=C(c1ccccc1F)N(CC[NH+]1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692055 553990081 /nfs/dbraw/zinc/99/00/81/553990081.db2.gz CJCHFSGBSMKARS-OAQYLSRUSA-N 1 2 504.603 2.837 50 0 KFAALO O=C(c1ccccc1F)N(CC[NH+]1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692056 553990039 /nfs/dbraw/zinc/99/00/39/553990039.db2.gz CJCHFSGBSMKARS-NRFANRHFSA-N 1 2 504.603 2.837 50 0 KFAALO O=C(c1cccc(F)c1)N(CC[NH+]1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692057 553990087 /nfs/dbraw/zinc/99/00/87/553990087.db2.gz ASPNLWWGFRSLHM-HSZRJFAPSA-N 1 2 504.603 2.837 50 0 KFAALO O=C(c1cccc(F)c1)N(CC[NH+]1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692058 553990053 /nfs/dbraw/zinc/99/00/53/553990053.db2.gz ASPNLWWGFRSLHM-QHCPKHFHSA-N 1 2 504.603 2.837 50 0 KFAALO O=C(Cc1ccccc1)N(CC[NH+]1CCOCC1)C[C@@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692059 553989988 /nfs/dbraw/zinc/98/99/88/553989988.db2.gz VRJZLDKAHBHCBB-XMMPIXPASA-N 1 2 500.640 2.627 50 0 KFAALO O=C(Cc1ccccc1)N(CC[NH+]1CCOCC1)C[C@H]1CN(C(=S)Nc2ccc(F)cc2)CCO1 ZINC000034692060 553989930 /nfs/dbraw/zinc/98/99/30/553989930.db2.gz VRJZLDKAHBHCBB-DEOSSOPVSA-N 1 2 500.640 2.627 50 0 KFAALO COc1cccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)c1 ZINC000034692061 553990059 /nfs/dbraw/zinc/99/00/59/553990059.db2.gz LPSYNWIEBWOUBT-XMMPIXPASA-N 1 2 516.639 2.707 50 0 KFAALO COc1cccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)c1 ZINC000034692062 553989983 /nfs/dbraw/zinc/98/99/83/553989983.db2.gz LPSYNWIEBWOUBT-DEOSSOPVSA-N 1 2 516.639 2.707 50 0 KFAALO O=C(Cc1ccccc1)N(CC[NH+]1CCOCC1)C[C@@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000034692259 553990492 /nfs/dbraw/zinc/99/04/92/553990492.db2.gz CXAQCMKQQZMFSV-XMMPIXPASA-N 1 2 501.027 2.976 50 0 KFAALO O=C(Cc1ccccc1)N(CC[NH+]1CCOCC1)C[C@H]1CN(C(=O)Nc2cccc(Cl)c2)CCO1 ZINC000034692260 553990319 /nfs/dbraw/zinc/99/03/19/553990319.db2.gz CXAQCMKQQZMFSV-DEOSSOPVSA-N 1 2 501.027 2.976 50 0 KFAALO Cc1ccc(C(=O)NCC[NH+]2CCOCC2)c(C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000034723806 553996474 /nfs/dbraw/zinc/99/64/74/553996474.db2.gz BCBYZDKSTLQFDJ-UHFFFAOYSA-N 1 2 501.027 2.890 50 0 KFAALO COCC[NH+]1CCN(C(=O)c2ccc(C)nc2C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 ZINC000034729623 553997443 /nfs/dbraw/zinc/99/74/43/553997443.db2.gz DULUKQRGMBODDN-UHFFFAOYSA-N 1 2 510.635 2.831 50 0 KFAALO COCC[NH+]1CCN(C(=O)CCc2nnc(-c3ccc(OCc4cccc(F)c4)c(OC)c3)[nH]c2=O)CC1 ZINC000034766703 554002891 /nfs/dbraw/zinc/00/28/91/554002891.db2.gz ACCIYUHOSQMQLM-UHFFFAOYSA-N 1 2 525.581 2.694 50 0 KFAALO CCOCCOc1ccc(-c2nnc(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]2)cc1OC ZINC000034766920 554002918 /nfs/dbraw/zinc/00/29/18/554002918.db2.gz JRMQBGAXKQHGFY-UHFFFAOYSA-N 1 2 521.618 2.945 50 0 KFAALO CN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)[C@@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792585 554008079 /nfs/dbraw/zinc/00/80/79/554008079.db2.gz MGSWLZNCCWHBMX-RUZDIDTESA-N 1 2 502.619 2.520 50 0 KFAALO CN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)[C@H](c2ccc(C(C)(C)C)cc2)NC1=O ZINC000034792587 554008064 /nfs/dbraw/zinc/00/80/64/554008064.db2.gz MGSWLZNCCWHBMX-VWLOTQADSA-N 1 2 502.619 2.520 50 0 KFAALO COc1ccc(Cl)cc1N1CCN(c2nnc(C(=O)NCC[NH+]3CCOCC3)c3ccccc32)CC1 ZINC000034838998 554020775 /nfs/dbraw/zinc/02/07/75/554020775.db2.gz LAMHJUFKJQSIBE-UHFFFAOYSA-N 1 2 511.026 2.680 50 0 KFAALO Cc1nc(-c2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5cccc[nH+]5)CC4)CC3)c(C)s2)no1 ZINC000035502743 554056876 /nfs/dbraw/zinc/05/68/76/554056876.db2.gz TVXCAYMLCOGMQT-UHFFFAOYSA-N 1 2 516.649 2.559 50 0 KFAALO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCOCC4)n3c2=O)nn1-c1ccc(C)cc1 ZINC000035911592 554095015 /nfs/dbraw/zinc/09/50/15/554095015.db2.gz IRCPBCRZVRZIQE-UHFFFAOYSA-N 1 2 506.632 2.525 50 0 KFAALO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCOCC4)n3c2=O)nn1-c1cccc(Cl)c1 ZINC000035911705 554095373 /nfs/dbraw/zinc/09/53/73/554095373.db2.gz SJXXKNOEDSSWLA-UHFFFAOYSA-N 1 2 527.050 2.870 50 0 KFAALO CCc1ccccc1-n1nc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCOCC4)n3c2=O)cc1C ZINC000035911808 554095331 /nfs/dbraw/zinc/09/53/31/554095331.db2.gz HKQJKJSZPGEEBM-UHFFFAOYSA-N 1 2 520.659 2.779 50 0 KFAALO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCOCC4)n3c2=O)nn1-c1cccc(C)c1C ZINC000035912018 554095986 /nfs/dbraw/zinc/09/59/86/554095986.db2.gz GFHCLBIZZBLGGP-UHFFFAOYSA-N 1 2 520.659 2.833 50 0 KFAALO CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000035926255 554098701 /nfs/dbraw/zinc/09/87/01/554098701.db2.gz FNYICDZWCJJXFC-JOCHJYFZSA-N 1 2 510.683 2.966 50 0 KFAALO CCCC[C@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000035926256 554098762 /nfs/dbraw/zinc/09/87/62/554098762.db2.gz FNYICDZWCJJXFC-QFIPXVFZSA-N 1 2 510.683 2.966 50 0 KFAALO CCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5OC)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926263 554098659 /nfs/dbraw/zinc/09/86/59/554098659.db2.gz UVEVWSSYFDDOKM-UHFFFAOYSA-N 1 2 516.646 2.626 50 0 KFAALO O=C(CCc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926283 554098796 /nfs/dbraw/zinc/09/87/96/554098796.db2.gz CJDNWBKCNSJNFI-UHFFFAOYSA-N 1 2 504.610 2.513 50 0 KFAALO CCc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926291 554099134 /nfs/dbraw/zinc/09/91/34/554099134.db2.gz DZDNFSLUIQEGHS-UHFFFAOYSA-N 1 2 504.610 2.756 50 0 KFAALO O=C(c1cccc(Cl)c1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926296 554099308 /nfs/dbraw/zinc/09/93/08/554099308.db2.gz ZMLCRSNFKJUHMH-UHFFFAOYSA-N 1 2 511.001 2.847 50 0 KFAALO O=C(c1ccc(F)cc1)N1CCCN(c2nc(C[NH+]3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1 ZINC000035926299 554099290 /nfs/dbraw/zinc/09/92/90/554099290.db2.gz KFLORBBOFPMRPB-UHFFFAOYSA-N 1 2 508.573 2.723 50 0 KFAALO O=C(c1ccc(F)cc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926387 554099179 /nfs/dbraw/zinc/09/91/79/554099179.db2.gz WUWLXSWEUUQQJQ-UHFFFAOYSA-N 1 2 511.001 2.847 50 0 KFAALO COc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5Cl)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926388 554099693 /nfs/dbraw/zinc/09/96/93/554099693.db2.gz VCBNOCKQYNBHSR-UHFFFAOYSA-N 1 2 523.037 2.717 50 0 KFAALO O=C(Cc1ccccc1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926389 554099755 /nfs/dbraw/zinc/09/97/55/554099755.db2.gz ZCCYPWKAFKQXTA-UHFFFAOYSA-N 1 2 507.038 2.637 50 0 KFAALO O=C(Cc1cccs1)N1CCN(c2nc(C[NH+]3CCN(c4ccccc4Cl)CC3)cc(=O)[nH]2)CC1 ZINC000035926396 554099441 /nfs/dbraw/zinc/09/94/41/554099441.db2.gz NCCSKJWXCAFGSM-UHFFFAOYSA-N 1 2 513.067 2.698 50 0 KFAALO CCCC[C@@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cccc(OC)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926540 554099762 /nfs/dbraw/zinc/09/97/62/554099762.db2.gz LAYLHECJMXAXSU-JOCHJYFZSA-N 1 2 510.683 2.966 50 0 KFAALO CCCC[C@H](CC)C(=O)N1CCN(c2nc(C[NH+]3CCN(c4cccc(OC)c4)CC3)cc(=O)[nH]2)CC1 ZINC000035926541 554099663 /nfs/dbraw/zinc/09/96/63/554099663.db2.gz LAYLHECJMXAXSU-QFIPXVFZSA-N 1 2 510.683 2.966 50 0 KFAALO CCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000035926658 554100115 /nfs/dbraw/zinc/10/01/15/554100115.db2.gz RYCNDRPDMCPMNK-UHFFFAOYSA-N 1 2 503.047 2.593 50 0 KFAALO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)C4CCCCC4)CC3)n2)CC1 ZINC000035926661 554100553 /nfs/dbraw/zinc/10/05/53/554100553.db2.gz UJZGZYWQLNHVEJ-UHFFFAOYSA-N 1 2 529.085 2.983 50 0 KFAALO CCCCCC(=O)N1CCN(c2nc(C[NH+]3CCN(c4cc(Cl)ccc4OC)CC3)cc(=O)[nH]2)CC1 ZINC000035926662 554100399 /nfs/dbraw/zinc/10/03/99/554100399.db2.gz TXBDKKKVJYOXFI-UHFFFAOYSA-N 1 2 517.074 2.983 50 0 KFAALO COc1ccc(Cl)cc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)CC(C)(C)C)CC3)n2)CC1 ZINC000035926663 554100566 /nfs/dbraw/zinc/10/05/66/554100566.db2.gz SEQXQVFLIMXWOR-UHFFFAOYSA-N 1 2 517.074 2.839 50 0 KFAALO Cc1ccc(NC(=O)N2CCN(c3nc(C[NH+]4CCN(Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926774 554100530 /nfs/dbraw/zinc/10/05/30/554100530.db2.gz VBWCROZRHWCYEJ-UHFFFAOYSA-N 1 2 519.625 2.889 50 0 KFAALO Cc1ccc(NC(=O)N2CCN(c3nc(CN4CC[NH+](Cc5ccc(F)cc5)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926774 554100528 /nfs/dbraw/zinc/10/05/28/554100528.db2.gz VBWCROZRHWCYEJ-UHFFFAOYSA-N 1 2 519.625 2.889 50 0 KFAALO COc1ccccc1N1CC[NH+](Cc2cc(=O)[nH]c(N3CCN(C(=O)Nc4ccc(C)cc4)CC3)n2)CC1 ZINC000035926781 554100453 /nfs/dbraw/zinc/10/04/53/554100453.db2.gz LHWKOZRXFNCQAQ-UHFFFAOYSA-N 1 2 517.634 2.763 50 0 KFAALO Cc1ccc(NC(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000035926786 554100859 /nfs/dbraw/zinc/10/08/59/554100859.db2.gz YDNZJEPHDGBRPH-UHFFFAOYSA-N 1 2 505.598 2.894 50 0 KFAALO COc1ccc(OC)c([C@@H]2CC(c3cccs3)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)c1 ZINC000035947973 554105473 /nfs/dbraw/zinc/10/54/73/554105473.db2.gz GZLOFRKNNBZGAM-QFIPXVFZSA-N 1 2 500.621 2.624 50 0 KFAALO COc1ccc(OC)c([C@H]2CC(c3cccs3)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)c1 ZINC000035947974 554105499 /nfs/dbraw/zinc/10/54/99/554105499.db2.gz GZLOFRKNNBZGAM-JOCHJYFZSA-N 1 2 500.621 2.624 50 0 KFAALO COc1ccc(C2=NN(C(=O)CN(CC[NH+]3CCOCC3)C(C)=O)[C@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035948069 554106017 /nfs/dbraw/zinc/10/60/17/554106017.db2.gz FBPLZZZUIDPWEM-SANMLTNESA-N 1 2 524.618 2.571 50 0 KFAALO COc1ccc(C2=NN(C(=O)CN(CC[NH+]3CCOCC3)C(C)=O)[C@@H](c3cc(OC)ccc3OC)C2)cc1 ZINC000035948070 554106028 /nfs/dbraw/zinc/10/60/28/554106028.db2.gz FBPLZZZUIDPWEM-AREMUKBSSA-N 1 2 524.618 2.571 50 0 KFAALO CC(=O)N(CC[NH+]1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000035948071 554105990 /nfs/dbraw/zinc/10/59/90/554105990.db2.gz NEYHPPCFLTVRLK-VWLOTQADSA-N 1 2 506.603 2.891 50 0 KFAALO CC(=O)N(CC[NH+]1CCOCC1)CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000035948072 554106043 /nfs/dbraw/zinc/10/60/43/554106043.db2.gz NEYHPPCFLTVRLK-RUZDIDTESA-N 1 2 506.603 2.891 50 0 KFAALO CC[NH+]1CCN(C2=C(c3c(COC)[nH]n(-c4ccc(Cl)cc4)c3=O)C(=O)N(CC(C)C)C2=O)CC1 ZINC000035960923 554108786 /nfs/dbraw/zinc/10/87/86/554108786.db2.gz TUGAUTLHJPNYLK-UHFFFAOYSA-N 1 2 502.015 2.751 50 0 KFAALO COc1ccc([C@@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)cc1 ZINC000035961020 554109148 /nfs/dbraw/zinc/10/91/48/554109148.db2.gz AWRBAISNNHNLJP-SANMLTNESA-N 1 2 524.618 2.571 50 0 KFAALO COc1ccc([C@H]2CC(c3ccc(OC)cc3OC)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)cc1 ZINC000035961021 554109231 /nfs/dbraw/zinc/10/92/31/554109231.db2.gz AWRBAISNNHNLJP-AREMUKBSSA-N 1 2 524.618 2.571 50 0 KFAALO COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)c1 ZINC000035963042 554111273 /nfs/dbraw/zinc/11/12/73/554111273.db2.gz AUVPAVAPUQXQIX-VWLOTQADSA-N 1 2 512.582 2.701 50 0 KFAALO COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)CN(CC[NH+]2CCOCC2)C(C)=O)c1 ZINC000035963044 554111277 /nfs/dbraw/zinc/11/12/77/554111277.db2.gz AUVPAVAPUQXQIX-RUZDIDTESA-N 1 2 512.582 2.701 50 0 KFAALO CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCC[NH+]3CCOCC3)c(O)c2c1 ZINC000035973841 554114864 /nfs/dbraw/zinc/11/48/64/554114864.db2.gz DHKRJYDTIROBHL-UHFFFAOYSA-N 1 2 563.474 2.568 50 0 KFAALO COc1ccc(NC(=O)Cn2c3cc(=O)n(CC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c(OC)c1 ZINC000035982609 554118706 /nfs/dbraw/zinc/11/87/06/554118706.db2.gz YLBHJPWBQWRVGZ-UHFFFAOYSA-N 1 2 604.689 2.860 50 0 KFAALO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)CC1 ZINC000035986650 554119555 /nfs/dbraw/zinc/11/95/55/554119555.db2.gz KFGNKCMMWWTJAZ-UHFFFAOYSA-N 1 2 506.378 2.744 50 0 KFAALO COc1cc(-c2ncc(C(=O)NCC[NH+]3CCOCC3)c(N(C)Cc3ccccc3)n2)cc(OC)c1OC ZINC000035987916 554122436 /nfs/dbraw/zinc/12/24/36/554122436.db2.gz SHQSTJIAYSXNGU-UHFFFAOYSA-N 1 2 521.618 2.868 50 0 KFAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000035991052 554123752 /nfs/dbraw/zinc/12/37/52/554123752.db2.gz UTGFMQQUXOGBNO-QHCPKHFHSA-N 1 2 503.596 2.882 50 0 KFAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000035991053 554123732 /nfs/dbraw/zinc/12/37/32/554123732.db2.gz UTGFMQQUXOGBNO-HSZRJFAPSA-N 1 2 503.596 2.882 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036003288 554129692 /nfs/dbraw/zinc/12/96/92/554129692.db2.gz NSUCCXSLMGCNJW-JOCHJYFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000036003288 554129690 /nfs/dbraw/zinc/12/96/90/554129690.db2.gz NSUCCXSLMGCNJW-JOCHJYFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036003289 554129720 /nfs/dbraw/zinc/12/97/20/554129720.db2.gz NSUCCXSLMGCNJW-QFIPXVFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 ZINC000036003289 554129717 /nfs/dbraw/zinc/12/97/17/554129717.db2.gz NSUCCXSLMGCNJW-QFIPXVFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000036003941 554129700 /nfs/dbraw/zinc/12/97/00/554129700.db2.gz PXOWBGRDGCTWQV-JOCHJYFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1ccccc1OC ZINC000036003941 554129697 /nfs/dbraw/zinc/12/96/97/554129697.db2.gz PXOWBGRDGCTWQV-JOCHJYFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000036003942 554129711 /nfs/dbraw/zinc/12/97/11/554129711.db2.gz PXOWBGRDGCTWQV-QFIPXVFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1ccccc1OC ZINC000036003942 554129708 /nfs/dbraw/zinc/12/97/08/554129708.db2.gz PXOWBGRDGCTWQV-QFIPXVFZSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036005401 554130468 /nfs/dbraw/zinc/13/04/68/554130468.db2.gz HHFUACSHQNSNBG-HSZRJFAPSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036005401 554130465 /nfs/dbraw/zinc/13/04/65/554130465.db2.gz HHFUACSHQNSNBG-HSZRJFAPSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036005402 554130391 /nfs/dbraw/zinc/13/03/91/554130391.db2.gz HHFUACSHQNSNBG-QHCPKHFHSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)(C)C)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036005402 554130389 /nfs/dbraw/zinc/13/03/89/554130389.db2.gz HHFUACSHQNSNBG-QHCPKHFHSA-N 1 2 531.654 2.733 50 0 KFAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2C)CC1 ZINC000036005539 554130774 /nfs/dbraw/zinc/13/07/74/554130774.db2.gz IORUUIFPECTUIX-FQEVSTJZSA-N 1 2 511.545 2.956 50 0 KFAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccccc3C(F)(F)F)NC(=O)N2C)CC1 ZINC000036005539 554130772 /nfs/dbraw/zinc/13/07/72/554130772.db2.gz IORUUIFPECTUIX-FQEVSTJZSA-N 1 2 511.545 2.956 50 0 KFAALO CCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2C)CC1 ZINC000036005540 554130746 /nfs/dbraw/zinc/13/07/46/554130746.db2.gz IORUUIFPECTUIX-HXUWFJFHSA-N 1 2 511.545 2.956 50 0 KFAALO CCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3C(F)(F)F)NC(=O)N2C)CC1 ZINC000036005540 554130744 /nfs/dbraw/zinc/13/07/44/554130744.db2.gz IORUUIFPECTUIX-HXUWFJFHSA-N 1 2 511.545 2.956 50 0 KFAALO COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)c(S(=O)(=O)N2CC[NH+](C)CC2)cc1OC ZINC000036006854 554131949 /nfs/dbraw/zinc/13/19/49/554131949.db2.gz FLCHVQUUVZENCS-UHFFFAOYSA-N 1 2 523.611 2.632 50 0 KFAALO Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1=C(N2CC[NH+](C)CC2)C(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000036016265 554135788 /nfs/dbraw/zinc/13/57/88/554135788.db2.gz CCCSDRFVNAQYBV-UHFFFAOYSA-N 1 2 521.961 2.800 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000036016841 554136000 /nfs/dbraw/zinc/13/60/00/554136000.db2.gz SKCCNQSWBFQSRI-DEOSSOPVSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)cc1OC ZINC000036016841 554135998 /nfs/dbraw/zinc/13/59/98/554135998.db2.gz SKCCNQSWBFQSRI-DEOSSOPVSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000036016843 554136102 /nfs/dbraw/zinc/13/61/02/554136102.db2.gz SKCCNQSWBFQSRI-XMMPIXPASA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)cc1OC ZINC000036016843 554136100 /nfs/dbraw/zinc/13/61/00/554136100.db2.gz SKCCNQSWBFQSRI-XMMPIXPASA-N 1 2 531.654 2.733 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016845 554136035 /nfs/dbraw/zinc/13/60/35/554136035.db2.gz NFGOMZVKRMHYOT-DEOSSOPVSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016845 554136032 /nfs/dbraw/zinc/13/60/32/554136032.db2.gz NFGOMZVKRMHYOT-DEOSSOPVSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016847 554136040 /nfs/dbraw/zinc/13/60/40/554136040.db2.gz NFGOMZVKRMHYOT-XMMPIXPASA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)cc3OC)NC(=O)N2CC)CC1 ZINC000036016847 554136039 /nfs/dbraw/zinc/13/60/39/554136039.db2.gz NFGOMZVKRMHYOT-XMMPIXPASA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017146 554136021 /nfs/dbraw/zinc/13/60/21/554136021.db2.gz ANSCVCOCNPFJDF-DEOSSOPVSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017146 554136019 /nfs/dbraw/zinc/13/60/19/554136019.db2.gz ANSCVCOCNPFJDF-DEOSSOPVSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017148 554136076 /nfs/dbraw/zinc/13/60/76/554136076.db2.gz ANSCVCOCNPFJDF-XMMPIXPASA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3cc(OC)cc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017148 554136073 /nfs/dbraw/zinc/13/60/73/554136073.db2.gz ANSCVCOCNPFJDF-XMMPIXPASA-N 1 2 531.654 2.735 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000036017159 554136299 /nfs/dbraw/zinc/13/62/99/554136299.db2.gz PYZYRLHYBBHSHT-DEOSSOPVSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000036017159 554136296 /nfs/dbraw/zinc/13/62/96/554136296.db2.gz PYZYRLHYBBHSHT-DEOSSOPVSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036017161 554136342 /nfs/dbraw/zinc/13/63/42/554136342.db2.gz PYZYRLHYBBHSHT-XMMPIXPASA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036017161 554136340 /nfs/dbraw/zinc/13/63/40/554136340.db2.gz PYZYRLHYBBHSHT-XMMPIXPASA-N 1 2 531.654 2.733 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(OC)c(OC)c3)NC(=O)N2CC)CC1 ZINC000036017163 554136246 /nfs/dbraw/zinc/13/62/46/554136246.db2.gz DJWNAMKBJJKTJZ-DEOSSOPVSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccc(OC)c(OC)c3)NC(=O)N2CC)CC1 ZINC000036017163 554136245 /nfs/dbraw/zinc/13/62/45/554136245.db2.gz DJWNAMKBJJKTJZ-DEOSSOPVSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)c(OC)c3)NC(=O)N2CC)CC1 ZINC000036017166 554136270 /nfs/dbraw/zinc/13/62/70/554136270.db2.gz DJWNAMKBJJKTJZ-XMMPIXPASA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccc(OC)c(OC)c3)NC(=O)N2CC)CC1 ZINC000036017166 554136269 /nfs/dbraw/zinc/13/62/69/554136269.db2.gz DJWNAMKBJJKTJZ-XMMPIXPASA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3ccccc3OC)NC(=O)N2CC)CC1 ZINC000036017192 554136235 /nfs/dbraw/zinc/13/62/35/554136235.db2.gz FLCVLKPSCHBXJY-QHCPKHFHSA-N 1 2 501.628 2.726 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3ccccc3OC)NC(=O)N2CC)CC1 ZINC000036017192 554136233 /nfs/dbraw/zinc/13/62/33/554136233.db2.gz FLCVLKPSCHBXJY-QHCPKHFHSA-N 1 2 501.628 2.726 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3OC)NC(=O)N2CC)CC1 ZINC000036017194 554136316 /nfs/dbraw/zinc/13/63/16/554136316.db2.gz FLCVLKPSCHBXJY-HSZRJFAPSA-N 1 2 501.628 2.726 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3ccccc3OC)NC(=O)N2CC)CC1 ZINC000036017194 554136314 /nfs/dbraw/zinc/13/63/14/554136314.db2.gz FLCVLKPSCHBXJY-HSZRJFAPSA-N 1 2 501.628 2.726 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017201 554136308 /nfs/dbraw/zinc/13/63/08/554136308.db2.gz YXCWHMFDPQFNRQ-DEOSSOPVSA-N 1 2 516.639 2.798 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017201 554136305 /nfs/dbraw/zinc/13/63/05/554136305.db2.gz YXCWHMFDPQFNRQ-DEOSSOPVSA-N 1 2 516.639 2.798 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017203 554136332 /nfs/dbraw/zinc/13/63/32/554136332.db2.gz YXCWHMFDPQFNRQ-XMMPIXPASA-N 1 2 516.639 2.798 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017203 554136329 /nfs/dbraw/zinc/13/63/29/554136329.db2.gz YXCWHMFDPQFNRQ-XMMPIXPASA-N 1 2 516.639 2.798 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017208 554136372 /nfs/dbraw/zinc/13/63/72/554136372.db2.gz HFOXYJGKQITTCE-DEOSSOPVSA-N 1 2 502.612 2.552 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017208 554136370 /nfs/dbraw/zinc/13/63/70/554136370.db2.gz HFOXYJGKQITTCE-DEOSSOPVSA-N 1 2 502.612 2.552 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017210 554136257 /nfs/dbraw/zinc/13/62/57/554136257.db2.gz HFOXYJGKQITTCE-XMMPIXPASA-N 1 2 502.612 2.552 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)CC)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017210 554136255 /nfs/dbraw/zinc/13/62/55/554136255.db2.gz HFOXYJGKQITTCE-XMMPIXPASA-N 1 2 502.612 2.552 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2CC)CC1 ZINC000036017316 554136324 /nfs/dbraw/zinc/13/63/24/554136324.db2.gz OUELQKOVDZIANE-QHCPKHFHSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3OC)NC(=O)N2CC)CC1 ZINC000036017316 554136321 /nfs/dbraw/zinc/13/63/21/554136321.db2.gz OUELQKOVDZIANE-QHCPKHFHSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3OC)NC(=O)N2CC)CC1 ZINC000036017318 554136263 /nfs/dbraw/zinc/13/62/63/554136263.db2.gz OUELQKOVDZIANE-HSZRJFAPSA-N 1 2 531.654 2.735 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3OC)NC(=O)N2CC)CC1 ZINC000036017318 554136261 /nfs/dbraw/zinc/13/62/61/554136261.db2.gz OUELQKOVDZIANE-HSZRJFAPSA-N 1 2 531.654 2.735 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017339 554136687 /nfs/dbraw/zinc/13/66/87/554136687.db2.gz ALERQFQEVDEEFA-DEOSSOPVSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000036017339 554136683 /nfs/dbraw/zinc/13/66/83/554136683.db2.gz ALERQFQEVDEEFA-DEOSSOPVSA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017341 554136677 /nfs/dbraw/zinc/13/66/77/554136677.db2.gz ALERQFQEVDEEFA-XMMPIXPASA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000036017341 554136673 /nfs/dbraw/zinc/13/66/73/554136673.db2.gz ALERQFQEVDEEFA-XMMPIXPASA-N 1 2 531.654 2.733 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036017406 554136654 /nfs/dbraw/zinc/13/66/54/554136654.db2.gz XTSURIOCBDTVEG-QHCPKHFHSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(OC)c1 ZINC000036017406 554136650 /nfs/dbraw/zinc/13/66/50/554136650.db2.gz XTSURIOCBDTVEG-QHCPKHFHSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036017408 554136700 /nfs/dbraw/zinc/13/67/00/554136700.db2.gz XTSURIOCBDTVEG-HSZRJFAPSA-N 1 2 501.628 2.724 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)NC(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(OC)c1 ZINC000036017408 554136697 /nfs/dbraw/zinc/13/66/97/554136697.db2.gz XTSURIOCBDTVEG-HSZRJFAPSA-N 1 2 501.628 2.724 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017415 554136634 /nfs/dbraw/zinc/13/66/34/554136634.db2.gz FHKXGHAQLJJQLC-QHCPKHFHSA-N 1 2 501.628 2.726 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017415 554136632 /nfs/dbraw/zinc/13/66/32/554136632.db2.gz FHKXGHAQLJJQLC-QHCPKHFHSA-N 1 2 501.628 2.726 50 0 KFAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017417 554136585 /nfs/dbraw/zinc/13/65/85/554136585.db2.gz FHKXGHAQLJJQLC-HSZRJFAPSA-N 1 2 501.628 2.726 50 0 KFAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(OC)c3)NC(=O)N2CC)CC1 ZINC000036017417 554136580 /nfs/dbraw/zinc/13/65/80/554136580.db2.gz FHKXGHAQLJJQLC-HSZRJFAPSA-N 1 2 501.628 2.726 50 0 KFAALO COc1ccc(CCN2C(=O)[C@@H](C)[NH2+]C23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1OC ZINC000036027132 554140729 /nfs/dbraw/zinc/14/07/29/554140729.db2.gz RBPDNGRYOFICNW-QGZVFWFLSA-N 1 2 508.040 2.901 50 0 KFAALO COc1ccc(CCN2C(=O)[C@H](C)[NH2+]C23CCN(S(=O)(=O)c2ccc(Cl)cc2)CC3)cc1OC ZINC000036027133 554140677 /nfs/dbraw/zinc/14/06/77/554140677.db2.gz RBPDNGRYOFICNW-KRWDZBQOSA-N 1 2 508.040 2.901 50 0 KFAALO COc1ccc(CCN2C(=O)[C@@H](C)[NH2+]C23CCN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1OC ZINC000036027142 554140639 /nfs/dbraw/zinc/14/06/39/554140639.db2.gz BQIYRBSEFNVYFJ-QGZVFWFLSA-N 1 2 508.040 2.901 50 0 KFAALO COc1ccc(CCN2C(=O)[C@H](C)[NH2+]C23CCN(S(=O)(=O)c2cccc(Cl)c2)CC3)cc1OC ZINC000036027143 554140708 /nfs/dbraw/zinc/14/07/08/554140708.db2.gz BQIYRBSEFNVYFJ-KRWDZBQOSA-N 1 2 508.040 2.901 50 0 KFAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1CCc1ccccn1 ZINC000036027262 554140649 /nfs/dbraw/zinc/14/06/49/554140649.db2.gz KBADYZOIJSKLJB-RUZDIDTESA-N 1 2 508.619 2.987 50 0 KFAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)N1CCc1ccccn1 ZINC000036027263 554140831 /nfs/dbraw/zinc/14/08/31/554140831.db2.gz KBADYZOIJSKLJB-VWLOTQADSA-N 1 2 508.619 2.987 50 0 KFAALO CC(C)COC[C@H](O)CN(CC[NH+]1CCOCC1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 ZINC000036205472 554201627 /nfs/dbraw/zinc/20/16/27/554201627.db2.gz GJRHQCWJTPIUNU-OAQYLSRUSA-N 1 2 500.665 2.819 50 0 KFAALO CC(C)COC[C@@H](O)CN(CC[NH+]1CCOCC1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 ZINC000036205475 554201671 /nfs/dbraw/zinc/20/16/71/554201671.db2.gz GJRHQCWJTPIUNU-NRFANRHFSA-N 1 2 500.665 2.819 50 0 KFAALO CCOC(=O)c1sc2nc(C[N@@H+](CCCOC)C[C@H](O)COCc3ccccc3)[nH]c(=O)c2c1C ZINC000036206677 554202240 /nfs/dbraw/zinc/20/22/40/554202240.db2.gz WLCZJOFESAONDK-IBGZPJMESA-N 1 2 503.621 2.886 50 0 KFAALO CCOC(=O)c1sc2nc(C[N@H+](CCCOC)C[C@H](O)COCc3ccccc3)[nH]c(=O)c2c1C ZINC000036206677 554202237 /nfs/dbraw/zinc/20/22/37/554202237.db2.gz WLCZJOFESAONDK-IBGZPJMESA-N 1 2 503.621 2.886 50 0 KFAALO CCOC(=O)c1sc2nc(C[N@@H+](CCCOC)C[C@@H](O)COCc3ccccc3)[nH]c(=O)c2c1C ZINC000036206678 554202114 /nfs/dbraw/zinc/20/21/14/554202114.db2.gz WLCZJOFESAONDK-LJQANCHMSA-N 1 2 503.621 2.886 50 0 KFAALO CCOC(=O)c1sc2nc(C[N@H+](CCCOC)C[C@@H](O)COCc3ccccc3)[nH]c(=O)c2c1C ZINC000036206678 554202109 /nfs/dbraw/zinc/20/21/09/554202109.db2.gz WLCZJOFESAONDK-LJQANCHMSA-N 1 2 503.621 2.886 50 0 KFAALO CCc1c(C(=O)OC)sc2nc(C[N@@H+](CCCOC)C[C@H](O)COCc3ccccc3)[nH]c(=O)c21 ZINC000036206755 554202286 /nfs/dbraw/zinc/20/22/86/554202286.db2.gz ZDRLGGXVYYYOHB-SFHVURJKSA-N 1 2 503.621 2.750 50 0 KFAALO CCc1c(C(=O)OC)sc2nc(C[N@H+](CCCOC)C[C@H](O)COCc3ccccc3)[nH]c(=O)c21 ZINC000036206755 554202284 /nfs/dbraw/zinc/20/22/84/554202284.db2.gz ZDRLGGXVYYYOHB-SFHVURJKSA-N 1 2 503.621 2.750 50 0 KFAALO CCc1c(C(=O)OC)sc2nc(C[N@@H+](CCCOC)C[C@@H](O)COCc3ccccc3)[nH]c(=O)c21 ZINC000036206756 554202201 /nfs/dbraw/zinc/20/22/01/554202201.db2.gz ZDRLGGXVYYYOHB-GOSISDBHSA-N 1 2 503.621 2.750 50 0 KFAALO CCc1c(C(=O)OC)sc2nc(C[N@H+](CCCOC)C[C@@H](O)COCc3ccccc3)[nH]c(=O)c21 ZINC000036206756 554202197 /nfs/dbraw/zinc/20/21/97/554202197.db2.gz ZDRLGGXVYYYOHB-GOSISDBHSA-N 1 2 503.621 2.750 50 0 KFAALO O=c1[nH]c(CN(CC[NH+]2CCOCC2)C[C@H](O)COCc2ccco2)nc2scc(-c3ccccc3)c21 ZINC000036207595 554202641 /nfs/dbraw/zinc/20/26/41/554202641.db2.gz LRQKRJGAPHMNQC-NRFANRHFSA-N 1 2 524.643 2.957 50 0 KFAALO O=c1[nH]c(CN(CC[NH+]2CCOCC2)C[C@@H](O)COCc2ccco2)nc2scc(-c3ccccc3)c21 ZINC000036207596 554202732 /nfs/dbraw/zinc/20/27/32/554202732.db2.gz LRQKRJGAPHMNQC-OAQYLSRUSA-N 1 2 524.643 2.957 50 0 KFAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@H](C(=O)NCCCN2CCCC2=O)C2CCCC2)CC1 ZINC000036256390 554211048 /nfs/dbraw/zinc/21/10/48/554211048.db2.gz QMUVODKMGSNKFV-VWLOTQADSA-N 1 2 505.059 2.551 50 0 KFAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@@H](C(=O)NCCCN2CCCC2=O)C2CCCC2)CC1 ZINC000036256392 554211121 /nfs/dbraw/zinc/21/11/21/554211121.db2.gz QMUVODKMGSNKFV-RUZDIDTESA-N 1 2 505.059 2.551 50 0 KFAALO COc1ccc(-n2nc3nc(N4CCN(CC[NH+]5CCOCC5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000037359743 554235009 /nfs/dbraw/zinc/23/50/09/554235009.db2.gz WUYTWQGTJWYDME-UHFFFAOYSA-N 1 2 532.624 2.667 50 0 KFAALO Cc1cccc(-c2nc(N3CCN(CC[NH+]4CCOCC4)CC3)nc3nn(Cc4ccccc4)c(N)c32)c1 ZINC000037359887 554235024 /nfs/dbraw/zinc/23/50/24/554235024.db2.gz NHBQLHIISJVONG-UHFFFAOYSA-N 1 2 512.662 2.886 50 0 KFAALO Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(CC[NH+]3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000037361106 554235115 /nfs/dbraw/zinc/23/51/15/554235115.db2.gz PONMEFYCMNMMLH-UHFFFAOYSA-N 1 2 516.625 2.717 50 0 KFAALO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CCN(CC[NH+]3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000037361193 554235100 /nfs/dbraw/zinc/23/51/00/554235100.db2.gz PHVYWOBVFJUUBB-UHFFFAOYSA-N 1 2 520.588 2.797 50 0 KFAALO C[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5cccc(F)c5)cc43)o2)CC1 ZINC000037510653 554248952 /nfs/dbraw/zinc/24/89/52/554248952.db2.gz NGFLANKZBPYZHX-UHFFFAOYSA-N 1 2 507.518 2.994 50 0 KFAALO C[NH+]1CCN(C(=O)c2ccc(CN3C(=O)COc4ccc(C(=O)COc5ccc(F)cc5)cc43)o2)CC1 ZINC000037511257 554249178 /nfs/dbraw/zinc/24/91/78/554249178.db2.gz QDKBKCMISPLSHD-UHFFFAOYSA-N 1 2 507.518 2.994 50 0 KFAALO Cc1ccc(C)c(OCC(=O)c2ccc3c(c2)N(CCCC(=O)NCC[NH+]2CCOCC2)C(=O)CO3)c1 ZINC000037512164 554249530 /nfs/dbraw/zinc/24/95/30/554249530.db2.gz OZVBDIOHTYBQDI-UHFFFAOYSA-N 1 2 509.603 2.519 50 0 KFAALO Cc1cccc(C)c1OCC(=O)c1ccc2c(c1)N(CCCC(=O)NCC[NH+]1CCOCC1)C(=O)CO2 ZINC000037512749 554249794 /nfs/dbraw/zinc/24/97/94/554249794.db2.gz KOPAQAMAMMCOLO-UHFFFAOYSA-N 1 2 509.603 2.519 50 0 KFAALO COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000038140305 554262859 /nfs/dbraw/zinc/26/28/59/554262859.db2.gz GKFAYAHJIXXDLF-UHFFFAOYSA-N 1 2 536.654 2.912 50 0 KFAALO CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)c1 ZINC000038145192 554267342 /nfs/dbraw/zinc/26/73/42/554267342.db2.gz BFJPXFUVMIODSL-UHFFFAOYSA-N 1 2 551.090 2.907 50 0 KFAALO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCOCC2)c1 ZINC000038145502 554267626 /nfs/dbraw/zinc/26/76/26/554267626.db2.gz YAPGAIJNQGAXSQ-UHFFFAOYSA-N 1 2 580.132 2.753 50 0 KFAALO COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCN(c5cccc[nH+]5)CC4)c(=O)c3c2C)c(OC)c1 ZINC000038150037 554271249 /nfs/dbraw/zinc/27/12/49/554271249.db2.gz AEBNNQRLVCYSEM-UHFFFAOYSA-N 1 2 548.625 2.780 50 0 KFAALO COc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCN(c5cccc[nH+]5)CC4)c(=O)c3c2C)cc1OC ZINC000038150038 554271245 /nfs/dbraw/zinc/27/12/45/554271245.db2.gz HGQSDYUTHVZQCT-UHFFFAOYSA-N 1 2 548.625 2.780 50 0 KFAALO CCn1cc(/C=C(\NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCC[NH+]2CCOCC2)c2ccccc21 ZINC000038152814 554273322 /nfs/dbraw/zinc/27/33/22/554273322.db2.gz NOJRHGNBQMDZPZ-KQWNVCNZSA-N 1 2 536.629 2.906 50 0 KFAALO O=C(CSc1nnc(CCCN2C(=O)c3cccc4cccc(c43)C2=O)n1-c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000038154860 554273600 /nfs/dbraw/zinc/27/36/00/554273600.db2.gz JJAYFZJFTVCLAQ-UHFFFAOYSA-N 1 2 584.702 2.878 50 0 KFAALO CC(=O)N1c2cc(S(=O)(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c(Br)cc2C[C@H]1C ZINC000040450740 554285626 /nfs/dbraw/zinc/28/56/26/554285626.db2.gz IDLINWQCDIUYLF-QGZVFWFLSA-N 1 2 521.481 2.847 50 0 KFAALO CC(=O)N1c2cc(S(=O)(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c(Br)cc2C[C@@H]1C ZINC000040450741 554285777 /nfs/dbraw/zinc/28/57/77/554285777.db2.gz IDLINWQCDIUYLF-KRWDZBQOSA-N 1 2 521.481 2.847 50 0 KFAALO CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cc21 ZINC000044139549 554301212 /nfs/dbraw/zinc/30/12/12/554301212.db2.gz NHWOHEKUHNATDK-UHFFFAOYSA-N 1 2 521.481 2.849 50 0 KFAALO COc1cc2c(cc1OC)CN(Cc1cc(=O)c(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)co1)CC2 ZINC000049543535 554323708 /nfs/dbraw/zinc/32/37/08/554323708.db2.gz ZRWNWFLYRWNKFX-UHFFFAOYSA-N 1 2 533.625 2.939 50 0 biogenic KFAALO COc1ccccc1CCNC(=O)COc1coc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1=O ZINC000049543591 554323681 /nfs/dbraw/zinc/32/36/81/554323681.db2.gz RCIBNDBJVYYUGN-UHFFFAOYSA-N 1 2 508.571 2.962 50 0 biogenic KFAALO COc1ccccc1CCNC(=O)COc1coc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1=O ZINC000049543591 554323679 /nfs/dbraw/zinc/32/36/79/554323679.db2.gz RCIBNDBJVYYUGN-UHFFFAOYSA-N 1 2 508.571 2.962 50 0 biogenic KFAALO COc1ccc(CCNC(=O)COc2coc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1 ZINC000049543650 554323625 /nfs/dbraw/zinc/32/36/25/554323625.db2.gz HJJBCSQCQKKITA-UHFFFAOYSA-N 1 2 508.571 2.962 50 0 biogenic KFAALO COc1ccc(CCNC(=O)COc2coc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1 ZINC000049543650 554323622 /nfs/dbraw/zinc/32/36/22/554323622.db2.gz HJJBCSQCQKKITA-UHFFFAOYSA-N 1 2 508.571 2.962 50 0 biogenic KFAALO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(=O)c(OCC(=O)N3CCN(c4ccccc4)CC3)co1)CC2 ZINC000049550294 554323587 /nfs/dbraw/zinc/32/35/87/554323587.db2.gz DDGFHHOIQWCTLY-UHFFFAOYSA-N 1 2 519.598 2.943 50 0 KFAALO COc1cc2c(cc1OC)C[N@H+](Cc1cc(=O)c(OCC(=O)N3CCN(c4ccccc4)CC3)co1)CC2 ZINC000049550294 554323585 /nfs/dbraw/zinc/32/35/85/554323585.db2.gz DDGFHHOIQWCTLY-UHFFFAOYSA-N 1 2 519.598 2.943 50 0 KFAALO COc1cc(C(=O)N2CC[NH+](CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)cc(OC)c1OC ZINC000054281454 554349029 /nfs/dbraw/zinc/34/90/29/554349029.db2.gz XGEWLKYHDCYSES-UHFFFAOYSA-N 1 2 503.555 2.920 50 0 KFAALO COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000056945174 554351443 /nfs/dbraw/zinc/35/14/43/554351443.db2.gz KUCCAGHOPWDZKI-QHCPKHFHSA-N 1 2 506.603 2.635 50 0 KFAALO COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000056945176 554351284 /nfs/dbraw/zinc/35/12/84/554351284.db2.gz KUCCAGHOPWDZKI-HSZRJFAPSA-N 1 2 506.603 2.635 50 0 KFAALO COc1ccc(CCNC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000056945455 554351304 /nfs/dbraw/zinc/35/13/04/554351304.db2.gz ARQSRUNCPZPGOI-QHCPKHFHSA-N 1 2 524.593 2.774 50 0 KFAALO COc1ccc(CCNC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000056945458 554351344 /nfs/dbraw/zinc/35/13/44/554351344.db2.gz ARQSRUNCPZPGOI-HSZRJFAPSA-N 1 2 524.593 2.774 50 0 KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccc5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101278 554377693 /nfs/dbraw/zinc/37/76/93/554377693.db2.gz AYQVNBNURUIABD-AREMUKBSSA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccc5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101278 554377687 /nfs/dbraw/zinc/37/76/87/554377687.db2.gz AYQVNBNURUIABD-AREMUKBSSA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccc5)CC4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101280 554377548 /nfs/dbraw/zinc/37/75/48/554377548.db2.gz AYQVNBNURUIABD-SANMLTNESA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N4CCN(c5ccccc5)CC4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101280 554377545 /nfs/dbraw/zinc/37/75/45/554377545.db2.gz AYQVNBNURUIABD-SANMLTNESA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3ccc(-n4nnnc4[C@H]4c5c(cc6c(c5OC)OCO6)CC[N@@H+]4C)cc3)CC2)c1 ZINC000059101393 554377805 /nfs/dbraw/zinc/37/78/05/554377805.db2.gz QXQPJVNVZBGCIA-HHHXNRCGSA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3ccc(-n4nnnc4[C@H]4c5c(cc6c(c5OC)OCO6)CC[N@H+]4C)cc3)CC2)c1 ZINC000059101393 554377804 /nfs/dbraw/zinc/37/78/04/554377804.db2.gz QXQPJVNVZBGCIA-HHHXNRCGSA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3ccc(-n4nnnc4[C@@H]4c5c(cc6c(c5OC)OCO6)CC[N@@H+]4C)cc3)CC2)c1 ZINC000059101394 554377826 /nfs/dbraw/zinc/37/78/26/554377826.db2.gz QXQPJVNVZBGCIA-MHZLTWQESA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3ccc(-n4nnnc4[C@@H]4c5c(cc6c(c5OC)OCO6)CC[N@H+]4C)cc3)CC2)c1 ZINC000059101394 554377825 /nfs/dbraw/zinc/37/78/25/554377825.db2.gz QXQPJVNVZBGCIA-MHZLTWQESA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CCN(c4ccccc4)CC1)[N@@H+](C)CC3)OCO2 ZINC000059101495 554377841 /nfs/dbraw/zinc/37/78/41/554377841.db2.gz LJPWXGCHUHUCHY-AREMUKBSSA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccccc1C(=O)N1CCN(c4ccccc4)CC1)[N@H+](C)CC3)OCO2 ZINC000059101495 554377840 /nfs/dbraw/zinc/37/78/40/554377840.db2.gz LJPWXGCHUHUCHY-AREMUKBSSA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CCN(c4ccccc4)CC1)[N@@H+](C)CC3)OCO2 ZINC000059101498 554377831 /nfs/dbraw/zinc/37/78/31/554377831.db2.gz LJPWXGCHUHUCHY-SANMLTNESA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccccc1C(=O)N1CCN(c4ccccc4)CC1)[N@H+](C)CC3)OCO2 ZINC000059101498 554377830 /nfs/dbraw/zinc/37/78/30/554377830.db2.gz LJPWXGCHUHUCHY-SANMLTNESA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(CCO)cc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101639 554377838 /nfs/dbraw/zinc/37/78/38/554377838.db2.gz XODQFHIAVOKPJD-XMMPIXPASA-N 1 2 528.569 2.764 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(CCO)cc4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101639 554377837 /nfs/dbraw/zinc/37/78/37/554377837.db2.gz XODQFHIAVOKPJD-XMMPIXPASA-N 1 2 528.569 2.764 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(CCO)cc4)cc1)[N@@H+](C)CC3)OCO2 ZINC000059101642 554377732 /nfs/dbraw/zinc/37/77/32/554377732.db2.gz XODQFHIAVOKPJD-DEOSSOPVSA-N 1 2 528.569 2.764 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)Nc4ccc(CCO)cc4)cc1)[N@H+](C)CC3)OCO2 ZINC000059101642 554377727 /nfs/dbraw/zinc/37/77/27/554377727.db2.gz XODQFHIAVOKPJD-DEOSSOPVSA-N 1 2 528.569 2.764 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccc5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101769 554378187 /nfs/dbraw/zinc/37/81/87/554378187.db2.gz ZRQNPVUCWWNKOV-AREMUKBSSA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccc5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101769 554378183 /nfs/dbraw/zinc/37/81/83/554378183.db2.gz ZRQNPVUCWWNKOV-AREMUKBSSA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccc5)CC4)c1)[N@@H+](C)CC3)OCO2 ZINC000059101772 554378167 /nfs/dbraw/zinc/37/81/67/554378167.db2.gz ZRQNPVUCWWNKOV-SANMLTNESA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1c2c(cc3c1[C@@H](c1nnnn1-c1cccc(C(=O)N4CCN(c5ccccc5)CC4)c1)[N@H+](C)CC3)OCO2 ZINC000059101772 554378163 /nfs/dbraw/zinc/37/81/63/554378163.db2.gz ZRQNPVUCWWNKOV-SANMLTNESA-N 1 2 553.623 2.939 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3cccc(-n4nnnc4[C@H]4c5c(cc6c(c5OC)OCO6)CC[N@@H+]4C)c3)CC2)c1 ZINC000059101845 554377986 /nfs/dbraw/zinc/37/79/86/554377986.db2.gz DVDRINADKGLEDJ-HHHXNRCGSA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3cccc(-n4nnnc4[C@H]4c5c(cc6c(c5OC)OCO6)CC[N@H+]4C)c3)CC2)c1 ZINC000059101845 554377982 /nfs/dbraw/zinc/37/79/82/554377982.db2.gz DVDRINADKGLEDJ-HHHXNRCGSA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3cccc(-n4nnnc4[C@@H]4c5c(cc6c(c5OC)OCO6)CC[N@@H+]4C)c3)CC2)c1 ZINC000059101847 554378088 /nfs/dbraw/zinc/37/80/88/554378088.db2.gz DVDRINADKGLEDJ-MHZLTWQESA-N 1 2 583.649 2.948 50 0 biogenic KFAALO COc1cccc(N2CCN(C(=O)c3cccc(-n4nnnc4[C@@H]4c5c(cc6c(c5OC)OCO6)CC[N@H+]4C)c3)CC2)c1 ZINC000059101847 554378085 /nfs/dbraw/zinc/37/80/85/554378085.db2.gz DVDRINADKGLEDJ-MHZLTWQESA-N 1 2 583.649 2.948 50 0 biogenic KFAALO C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c2c1 ZINC000059513602 554400807 /nfs/dbraw/zinc/40/08/07/554400807.db2.gz VDXSTBZOFWOGMV-HXUWFJFHSA-N 1 2 555.676 2.782 50 0 KFAALO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC[NH+]3CCN(c4ccccc4F)CC3)c2c1 ZINC000059513603 554400801 /nfs/dbraw/zinc/40/08/01/554400801.db2.gz VDXSTBZOFWOGMV-FQEVSTJZSA-N 1 2 555.676 2.782 50 0 KFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000059523672 554405215 /nfs/dbraw/zinc/40/52/15/554405215.db2.gz IFPLSJLYJAOEMU-UHFFFAOYSA-N 1 2 515.589 2.624 50 0 KFAALO CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NCC[NH+]2CCN(c4ccccc4F)CC2)C(=O)CS3)CC1 ZINC000059525269 554406246 /nfs/dbraw/zinc/40/62/46/554406246.db2.gz RWQNCCIDRWMZJD-UHFFFAOYSA-N 1 2 589.759 2.623 50 0 KFAALO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059595786 554408268 /nfs/dbraw/zinc/40/82/68/554408268.db2.gz CTPUJQXZDZUJCN-UHFFFAOYSA-N 1 2 569.611 2.865 50 0 KFAALO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000059596232 554408836 /nfs/dbraw/zinc/40/88/36/554408836.db2.gz GHYNKKCWPDMXGS-HSZRJFAPSA-N 1 2 540.642 2.535 50 0 KFAALO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000059596235 554408805 /nfs/dbraw/zinc/40/88/05/554408805.db2.gz GHYNKKCWPDMXGS-QHCPKHFHSA-N 1 2 540.642 2.535 50 0 KFAALO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059608030 554410426 /nfs/dbraw/zinc/41/04/26/554410426.db2.gz PRYRMPUHBJJTHY-UHFFFAOYSA-N 1 2 537.638 2.959 50 0 KFAALO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1Cl ZINC000059608616 554411682 /nfs/dbraw/zinc/41/16/82/554411682.db2.gz XVHHYHCTFWBJRH-UHFFFAOYSA-N 1 2 536.050 2.822 50 0 KFAALO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1 ZINC000059612423 554412754 /nfs/dbraw/zinc/41/27/54/554412754.db2.gz JHBOGDZCOFPDNW-UHFFFAOYSA-N 1 2 539.610 2.948 50 0 KFAALO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1Cl ZINC000059620413 554413984 /nfs/dbraw/zinc/41/39/84/554413984.db2.gz NXGLSSZIJVXNQF-IBGZPJMESA-N 1 2 536.050 2.822 50 0 KFAALO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)C2)cc1Cl ZINC000059620417 554413971 /nfs/dbraw/zinc/41/39/71/554413971.db2.gz NXGLSSZIJVXNQF-LJQANCHMSA-N 1 2 536.050 2.822 50 0 KFAALO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000059758358 554428176 /nfs/dbraw/zinc/42/81/76/554428176.db2.gz UURTUCQCKHQWEB-OAQYLSRUSA-N 1 2 531.034 2.790 50 0 KFAALO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000059758359 554428220 /nfs/dbraw/zinc/42/82/20/554428220.db2.gz UURTUCQCKHQWEB-NRFANRHFSA-N 1 2 531.034 2.790 50 0 KFAALO CS(=O)(=O)c1ccc([C@@H](O)C[N@@H+](CCc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587345 554507221 /nfs/dbraw/zinc/50/72/21/554507221.db2.gz XJHYTBYURNZUNN-PSWAGMNNSA-N 1 2 523.698 2.867 50 0 KFAALO CS(=O)(=O)c1ccc([C@@H](O)C[N@H+](CCc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587345 554507219 /nfs/dbraw/zinc/50/72/19/554507219.db2.gz XJHYTBYURNZUNN-PSWAGMNNSA-N 1 2 523.698 2.867 50 0 KFAALO CS(=O)(=O)c1ccc([C@@H](O)C[NH+](CCc2cccs2)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587347 554507201 /nfs/dbraw/zinc/50/72/01/554507201.db2.gz XJHYTBYURNZUNN-ZEQRLZLVSA-N 1 2 523.698 2.867 50 0 KFAALO CS(=O)(=O)c1ccc([C@H](O)C[NH+](CCc2cccs2)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000062587349 554507215 /nfs/dbraw/zinc/50/72/15/554507215.db2.gz XJHYTBYURNZUNN-DNQXCXABSA-N 1 2 523.698 2.867 50 0 KFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000063473079 554509379 /nfs/dbraw/zinc/50/93/79/554509379.db2.gz WLKAAHWDJFEFER-UHFFFAOYSA-N 1 2 525.650 2.713 50 0 KFAALO O=C(CC[C@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063708009 554510389 /nfs/dbraw/zinc/51/03/89/554510389.db2.gz CNQAWZOFBWETCU-OAQYLSRUSA-N 1 2 511.051 2.726 50 0 KFAALO O=C(CC[C@@H]1N=C2c3ccccc3NC(=S)N2C1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000063708010 554510335 /nfs/dbraw/zinc/51/03/35/554510335.db2.gz CNQAWZOFBWETCU-NRFANRHFSA-N 1 2 511.051 2.726 50 0 KFAALO O=C(c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000066138869 554529017 /nfs/dbraw/zinc/52/90/17/554529017.db2.gz YEDQZIOMEZEVTF-QPJJXVBHSA-N 1 2 534.476 2.941 50 0 KFAALO COc1ccc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CC[NH+](CCO)CC3)c2C1 ZINC000068206778 554538409 /nfs/dbraw/zinc/53/84/09/554538409.db2.gz UJMJIOLCOQYIKU-UHFFFAOYSA-N 1 2 538.048 2.644 50 0 KFAALO COc1ccc(CCNC(=O)COc2coc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1OC ZINC000070666072 553597960 /nfs/dbraw/zinc/59/79/60/553597960.db2.gz SZNJLZSXOGIOOZ-UHFFFAOYSA-N 1 2 538.597 2.970 50 0 biogenic KFAALO COc1ccc(CCNC(=O)COc2coc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2=O)cc1OC ZINC000070666072 553597955 /nfs/dbraw/zinc/59/79/55/553597955.db2.gz SZNJLZSXOGIOOZ-UHFFFAOYSA-N 1 2 538.597 2.970 50 0 biogenic KFAALO COc1ccccc1N1CCN(C(=O)COc2coc(C[N@H+]3CCc4cc(OC)c(OC)cc4C3)cc2=O)CC1 ZINC000070666110 553598009 /nfs/dbraw/zinc/59/80/09/553598009.db2.gz CFICHOIUYRGSAY-UHFFFAOYSA-N 1 2 549.624 2.952 50 0 biogenic KFAALO COc1ccccc1N1CCN(C(=O)COc2coc(C[N@@H+]3CCc4cc(OC)c(OC)cc4C3)cc2=O)CC1 ZINC000070666110 553598005 /nfs/dbraw/zinc/59/80/05/553598005.db2.gz CFICHOIUYRGSAY-UHFFFAOYSA-N 1 2 549.624 2.952 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669782 553598604 /nfs/dbraw/zinc/59/86/04/553598604.db2.gz NTWGEIYDHYAVDJ-ICYRDHFCSA-N 1 2 570.602 2.517 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc4c(c3)OCO4)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669782 553598601 /nfs/dbraw/zinc/59/86/01/553598601.db2.gz NTWGEIYDHYAVDJ-ICYRDHFCSA-N 1 2 570.602 2.517 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669790 553598838 /nfs/dbraw/zinc/59/88/38/553598838.db2.gz HKHWVPSZKLHYNK-MVCRGFCOSA-N 1 2 616.671 2.814 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669790 553598836 /nfs/dbraw/zinc/59/88/36/553598836.db2.gz HKHWVPSZKLHYNK-MVCRGFCOSA-N 1 2 616.671 2.814 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669791 553598829 /nfs/dbraw/zinc/59/88/29/553598829.db2.gz HKHWVPSZKLHYNK-JBRBIWQXSA-N 1 2 616.671 2.814 50 0 biogenic KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3cc(OC)c(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070669791 553598827 /nfs/dbraw/zinc/59/88/27/553598827.db2.gz HKHWVPSZKLHYNK-JBRBIWQXSA-N 1 2 616.671 2.814 50 0 biogenic KFAALO COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000070669809 553598966 /nfs/dbraw/zinc/59/89/66/553598966.db2.gz VTWNVXCBJKJFPN-AFTQUYEPSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000070669809 553598963 /nfs/dbraw/zinc/59/89/63/553598963.db2.gz VTWNVXCBJKJFPN-AFTQUYEPSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000070669817 553598802 /nfs/dbraw/zinc/59/88/02/553598802.db2.gz MJVOGIXNGXYBQI-QPPRZBLKSA-N 1 2 540.576 2.508 50 0 biogenic KFAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@@]2(Cc3ccc4c(c3)OCO4)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000070669817 553598799 /nfs/dbraw/zinc/59/87/99/553598799.db2.gz MJVOGIXNGXYBQI-QPPRZBLKSA-N 1 2 540.576 2.508 50 0 biogenic KFAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000070669818 553598952 /nfs/dbraw/zinc/59/89/52/553598952.db2.gz MJVOGIXNGXYBQI-PHKGMDLESA-N 1 2 540.576 2.508 50 0 biogenic KFAALO O=c1cccc2n1C[C@@H]1C[C@H]2C[N@H+](C[C@]2(Cc3ccc4c(c3)OCO4)C(=O)NC(=O)N(c3ccccc3)C2=O)C1 ZINC000070669818 553598948 /nfs/dbraw/zinc/59/89/48/553598948.db2.gz MJVOGIXNGXYBQI-PHKGMDLESA-N 1 2 540.576 2.508 50 0 biogenic KFAALO COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669826 553598864 /nfs/dbraw/zinc/59/88/64/553598864.db2.gz IXAGSFIVMXXDHV-XASJVRKQSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669826 553598863 /nfs/dbraw/zinc/59/88/63/553598863.db2.gz IXAGSFIVMXXDHV-XASJVRKQSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669827 553598890 /nfs/dbraw/zinc/59/88/90/553598890.db2.gz IXAGSFIVMXXDHV-ITOWZWGRSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000070669827 553598887 /nfs/dbraw/zinc/59/88/87/553598887.db2.gz IXAGSFIVMXXDHV-ITOWZWGRSA-N 1 2 556.619 2.797 50 0 biogenic KFAALO COc1cccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000070671658 553601096 /nfs/dbraw/zinc/60/10/96/553601096.db2.gz OBMKSNSXQAEZGH-OYKDXHIPSA-N 1 2 586.645 2.805 50 0 biogenic KFAALO COc1cccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)c1 ZINC000070671658 553601092 /nfs/dbraw/zinc/60/10/92/553601092.db2.gz OBMKSNSXQAEZGH-OYKDXHIPSA-N 1 2 586.645 2.805 50 0 biogenic KFAALO Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCC(C)(C)[NH+]3CCOCC3)c2)c(=O)n(-c2ccccc2)n1C ZINC000072138385 553644619 /nfs/dbraw/zinc/64/46/19/553644619.db2.gz KBSHAAVIGUSLLG-UHFFFAOYSA-N 1 2 576.119 2.804 50 0 KFAALO O=C(CCC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000096019401 553716307 /nfs/dbraw/zinc/71/63/07/553716307.db2.gz DAQBAEINQIPIGV-UHFFFAOYSA-N 1 2 589.567 2.613 50 0 KFAALO COc1cccc(OC)c1OC[C@H](O)CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000096134160 553727211 /nfs/dbraw/zinc/72/72/11/553727211.db2.gz GEFWLUZSCPNGJK-OAQYLSRUSA-N 1 2 519.598 2.511 50 0 KFAALO COc1cccc(OC)c1OC[C@@H](O)CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000096134161 553727126 /nfs/dbraw/zinc/72/71/26/553727126.db2.gz GEFWLUZSCPNGJK-NRFANRHFSA-N 1 2 519.598 2.511 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000096210280 553729342 /nfs/dbraw/zinc/72/93/42/553729342.db2.gz XSQZXTPQRBEEAG-XMMPIXPASA-N 1 2 514.623 2.552 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)cc(OC)c1 ZINC000096210280 553729340 /nfs/dbraw/zinc/72/93/40/553729340.db2.gz XSQZXTPQRBEEAG-XMMPIXPASA-N 1 2 514.623 2.552 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000096210282 553729371 /nfs/dbraw/zinc/72/93/71/553729371.db2.gz XSQZXTPQRBEEAG-DEOSSOPVSA-N 1 2 514.623 2.552 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(C)C(=O)N[C@H]1c1cc(OC)cc(OC)c1 ZINC000096210282 553729370 /nfs/dbraw/zinc/72/93/70/553729370.db2.gz XSQZXTPQRBEEAG-DEOSSOPVSA-N 1 2 514.623 2.552 50 0 KFAALO COc1ccc(CCN2C(=O)[C@@H](C)[NH2+]C23CCN(S(=O)(=O)c2cccc4cccnc42)CC3)cc1OC ZINC000096210983 553729645 /nfs/dbraw/zinc/72/96/45/553729645.db2.gz LEQRMPFEVWYOJW-LJQANCHMSA-N 1 2 524.643 2.796 50 0 KFAALO COc1ccc(CCN2C(=O)[C@H](C)[NH2+]C23CCN(S(=O)(=O)c2cccc4cccnc42)CC3)cc1OC ZINC000096210984 553729658 /nfs/dbraw/zinc/72/96/58/553729658.db2.gz LEQRMPFEVWYOJW-IBGZPJMESA-N 1 2 524.643 2.796 50 0 KFAALO O=C(Nc1snnc1C(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000096319530 553751816 /nfs/dbraw/zinc/75/18/16/553751816.db2.gz VIPSIFGUIINCHA-UHFFFAOYSA-N 1 2 513.027 2.903 50 0 KFAALO COc1cc(C(=O)N2CC[NH+](C[C@H]3CN(Cc4cccc(F)c4F)CCO3)CC2)cc(OC)c1OC ZINC000096497192 553754871 /nfs/dbraw/zinc/75/48/71/553754871.db2.gz VTOLJYSDUIYJHW-FQEVSTJZSA-N 1 2 505.562 2.649 50 0 KFAALO COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CN(C(=S)Nc4ccc(F)cc4)CCO3)CC2)c(OC)c1 ZINC000096497197 553754917 /nfs/dbraw/zinc/75/49/17/553754917.db2.gz OGIMONALNJEKDZ-OAQYLSRUSA-N 1 2 502.612 2.699 50 0 KFAALO COc1ccc(C(=O)N2CC[NH+](C[C@H]3CN(C(=S)Nc4ccc(F)cc4)CCO3)CC2)c(OC)c1 ZINC000096497198 553754846 /nfs/dbraw/zinc/75/48/46/553754846.db2.gz OGIMONALNJEKDZ-NRFANRHFSA-N 1 2 502.612 2.699 50 0 KFAALO Cc1c2c(cc(=O)n1CC[NH+]1CCOCC1)n(CC(=O)Nc1ccc(F)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097948308 553792906 /nfs/dbraw/zinc/79/29/06/553792906.db2.gz ZHOAEVZYMCRNIJ-UHFFFAOYSA-N 1 2 562.627 2.982 50 0 KFAALO COc1ccc(NC(=O)Cn2c3cc(=O)n(CC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)cc1 ZINC000097948487 553794178 /nfs/dbraw/zinc/79/41/78/553794178.db2.gz VGXQEHZDZWJOTM-UHFFFAOYSA-N 1 2 574.663 2.852 50 0 KFAALO COc1ccc(OC)c(NC(=O)Cn2c3cc(=O)n(CC[NH+]4CCOCC4)c(C)c3c(=O)n2-c2nc3ccccc3s2)c1 ZINC000097948801 553796930 /nfs/dbraw/zinc/79/69/30/553796930.db2.gz XBYQAIQEKFDQBS-UHFFFAOYSA-N 1 2 604.689 2.860 50 0 KFAALO Cn1ncc(Br)c1C(=O)N(C(=O)c1c(Br)cnn1C)c1nc2ccccc2n1CC[NH+]1CCOCC1 ZINC000097948948 553797940 /nfs/dbraw/zinc/79/79/40/553797940.db2.gz SEQXKPULNRKTEI-UHFFFAOYSA-N 1 2 620.306 2.848 50 0 KFAALO NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097957491 553846326 /nfs/dbraw/zinc/84/63/26/553846326.db2.gz HFHPVDJAGHOZOS-UHFFFAOYSA-N 1 2 540.667 2.679 50 0 KFAALO NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097957491 553846322 /nfs/dbraw/zinc/84/63/22/553846322.db2.gz HFHPVDJAGHOZOS-UHFFFAOYSA-N 1 2 540.667 2.679 50 0 KFAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CC[N@H+](C)C2 ZINC000097963375 553889340 /nfs/dbraw/zinc/88/93/40/553889340.db2.gz PZDNVRGXZYQRAG-UHFFFAOYSA-N 1 2 564.686 2.628 50 0 KFAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(=O)OCC)CC3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000097963375 553889339 /nfs/dbraw/zinc/88/93/39/553889339.db2.gz PZDNVRGXZYQRAG-UHFFFAOYSA-N 1 2 564.686 2.628 50 0 KFAALO Cc1ccc(-c2nnc(Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000097967024 553913141 /nfs/dbraw/zinc/91/31/41/553913141.db2.gz YLOUQDZQNSMSCP-UHFFFAOYSA-N 1 2 552.682 2.932 50 0 KFAALO COCCN(C(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097981556 553995107 /nfs/dbraw/zinc/99/51/07/553995107.db2.gz GVEPFOYGKRATSQ-HXUWFJFHSA-N 1 2 534.642 2.593 50 0 KFAALO COCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097981556 553995106 /nfs/dbraw/zinc/99/51/06/553995106.db2.gz GVEPFOYGKRATSQ-HXUWFJFHSA-N 1 2 534.642 2.593 50 0 KFAALO COCCN(C(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097981557 553995143 /nfs/dbraw/zinc/99/51/43/553995143.db2.gz GVEPFOYGKRATSQ-FQEVSTJZSA-N 1 2 534.642 2.593 50 0 KFAALO COCCN(C(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000097981557 553995139 /nfs/dbraw/zinc/99/51/39/553995139.db2.gz GVEPFOYGKRATSQ-FQEVSTJZSA-N 1 2 534.642 2.593 50 0 KFAALO NC(=O)c1c2c(sc1NC(=O)CSc1nc3ccccc3c(=O)n1CCC[NH+]1CCOCC1)CCCC2 ZINC000097982505 554003083 /nfs/dbraw/zinc/00/30/83/554003083.db2.gz HNPODKPDFBHSJG-UHFFFAOYSA-N 1 2 541.699 2.889 50 0 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561.664 2.560 50 0 KFAALO COCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1 ZINC000098015178 554096548 /nfs/dbraw/zinc/09/65/48/554096548.db2.gz RSHFFECMHVBCRC-UHFFFAOYSA-N 1 2 610.737 2.621 50 0 KFAALO CC(=O)N1CCN(c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)n2)CC1 ZINC000098015360 554098517 /nfs/dbraw/zinc/09/85/17/554098517.db2.gz XRMNSFFLLPGILT-UHFFFAOYSA-N 1 2 540.734 2.797 50 0 KFAALO Cc1c(C(=O)NCCN(C)c2ccccc2F)sc2ncn(CC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)c12 ZINC000098049776 554169111 /nfs/dbraw/zinc/16/91/11/554169111.db2.gz MMESINBYAHVWLW-UHFFFAOYSA-N 1 2 563.659 2.516 50 0 KFAALO O=C(NCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Br)cc1 ZINC000098049782 554169095 /nfs/dbraw/zinc/16/90/95/554169095.db2.gz SKVLBOJMERAOMT-UHFFFAOYSA-N 1 2 570.531 2.683 50 0 KFAALO O=C(CCCCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000100812736 554475443 /nfs/dbraw/zinc/47/54/43/554475443.db2.gz XDYSVEJUWKFNFI-UHFFFAOYSA-N 1 2 550.656 2.693 50 0 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2.744 50 0 KFAALO CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCC[NH+]1CCN(c3ccccc3F)CC1)cn2C ZINC000101446209 554774049 /nfs/dbraw/zinc/77/40/49/554774049.db2.gz LTNSBTJTXOECKE-UHFFFAOYSA-N 1 2 557.692 2.650 50 0 KFAALO CCn1cc(C(=O)NCCC[N@@H+](CC)c2cccc(C)c2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101447533 554774325 /nfs/dbraw/zinc/77/43/25/554774325.db2.gz JXJJXWLMKZYKEZ-UHFFFAOYSA-N 1 2 540.686 2.997 50 0 KFAALO CCn1cc(C(=O)NCCC[N@H+](CC)c2cccc(C)c2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101447533 554774323 /nfs/dbraw/zinc/77/43/23/554774323.db2.gz JXJJXWLMKZYKEZ-UHFFFAOYSA-N 1 2 540.686 2.997 50 0 KFAALO CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000101448913 554775205 /nfs/dbraw/zinc/77/52/05/554775205.db2.gz FEWMLNQXLASRLD-UHFFFAOYSA-N 1 2 539.471 2.988 50 0 KFAALO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)NC(=O)N[C@@H]1c1ccc(F)cc1 ZINC000101541729 554795788 /nfs/dbraw/zinc/79/57/88/554795788.db2.gz YZSRQXDACYLFRS-XMMPIXPASA-N 1 2 542.608 2.840 50 0 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Cc1cc(-c2c(C)nc3c(OCC(=O)NCC[NH+]4CCOCC4)cccn3c2=O)nn1-c1cccc(Cl)c1 ZINC000101627624 554811426 /nfs/dbraw/zinc/81/14/26/554811426.db2.gz ZOOBMNCPGWHRDD-UHFFFAOYSA-N 1 2 537.020 2.645 50 0 KFAALO CC(=O)N1CC[NH+](CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1 ZINC000101673084 554826702 /nfs/dbraw/zinc/82/67/02/554826702.db2.gz JMEYDSHPKCSIJC-UHFFFAOYSA-N 1 2 519.572 2.827 50 0 in-man KFAALO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000101683698 554828916 /nfs/dbraw/zinc/82/89/16/554828916.db2.gz JBLMSKRUXNKEBR-UHFFFAOYSA-N 1 2 555.676 2.784 50 0 KFAALO CCCC[N@@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000101684254 554828879 /nfs/dbraw/zinc/82/88/79/554828879.db2.gz QGSXIYOMFRLKLH-UHFFFAOYSA-N 1 2 560.742 2.959 50 0 KFAALO CCCC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000101684254 554828877 /nfs/dbraw/zinc/82/88/77/554828877.db2.gz QGSXIYOMFRLKLH-UHFFFAOYSA-N 1 2 560.742 2.959 50 0 KFAALO 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Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1ccc(F)cc1 ZINC000103019992 555211269 /nfs/dbraw/zinc/21/12/69/555211269.db2.gz SKZNJFXGLWCPAS-UHFFFAOYSA-N 1 2 551.026 2.838 50 0 KFAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2)CC1 ZINC000103030870 555218941 /nfs/dbraw/zinc/21/89/41/555218941.db2.gz UUWVIZDYJXHTCQ-UHFFFAOYSA-N 1 2 543.092 2.932 50 0 KFAALO COCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCN(C(C)=O)CC3)o2)n1 ZINC000103034262 555221935 /nfs/dbraw/zinc/22/19/35/555221935.db2.gz UUGNIVHFPSYPHG-UHFFFAOYSA-N 1 2 608.721 2.864 50 0 KFAALO COc1cccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000103045043 555227708 /nfs/dbraw/zinc/22/77/08/555227708.db2.gz DMBAWQAVFFBWNC-UHFFFAOYSA-N 1 2 536.654 2.912 50 0 KFAALO CCCCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)ccc3OC)CC2)cc1 ZINC000103045589 555227929 /nfs/dbraw/zinc/22/79/29/555227929.db2.gz IJLYJFMHKNRHCK-UHFFFAOYSA-N 1 2 564.774 2.875 50 0 KFAALO CCN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054851 555236540 /nfs/dbraw/zinc/23/65/40/555236540.db2.gz LHPDKLIYLRSUGM-QHCPKHFHSA-N 1 2 529.428 2.920 50 0 KFAALO CCN1C2=C(C(=O)N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103054855 555236505 /nfs/dbraw/zinc/23/65/05/555236505.db2.gz LHPDKLIYLRSUGM-HSZRJFAPSA-N 1 2 529.428 2.920 50 0 KFAALO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 ZINC000103076815 555255866 /nfs/dbraw/zinc/25/58/66/555255866.db2.gz ZWLCXJXZEUDAEU-UHFFFAOYSA-N 1 2 608.827 2.749 50 0 KFAALO CCCCc1ccc(S(=O)(=O)N2CCN(c3cc(S(=O)(=O)NCCC[NH+]4CCOCC4)ccc3OC)CC2)cc1 ZINC000103085190 555263757 /nfs/dbraw/zinc/26/37/57/555263757.db2.gz ZBAMECASHCNQHE-UHFFFAOYSA-N 1 2 594.800 2.549 50 0 KFAALO O=C(COc1ccc(Cl)cc1)N1CCCN(c2nc(C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000103127184 555295275 /nfs/dbraw/zinc/29/52/75/555295275.db2.gz GFXZWEDJKDDNQZ-UHFFFAOYSA-N 1 2 595.100 2.588 50 0 KFAALO O=C(COc1ccc(Cl)cc1)N1CCCN(c2nc(CN3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(=O)[nH]2)CC1 ZINC000103127184 555295271 /nfs/dbraw/zinc/29/52/71/555295271.db2.gz GFXZWEDJKDDNQZ-UHFFFAOYSA-N 1 2 595.100 2.588 50 0 KFAALO COCCn1c(CN(CC[NH+](C)C)S(=O)(=O)c2ccc(C)cc2)cnc1S(=O)(=O)Cc1ccc(F)cc1 ZINC000103135879 555305663 /nfs/dbraw/zinc/30/56/63/555305663.db2.gz OYYIHIRABIIYNZ-UHFFFAOYSA-N 1 2 552.694 2.703 50 0 KFAALO Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc(C[NH+]4CCN(c5ccccc5F)CC4)cc(=O)[nH]3)CC2)c(C)c1 ZINC000103208187 555339411 /nfs/dbraw/zinc/33/94/11/555339411.db2.gz WPAPUWKCRMJVRX-UHFFFAOYSA-N 1 2 554.692 2.667 50 0 KFAALO COc1ccc(-c2nc(N3CCN(CC[NH+]4CCOCC4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000103252877 555344713 /nfs/dbraw/zinc/34/47/13/555344713.db2.gz FQCPESOIXXHHIQ-UHFFFAOYSA-N 1 2 544.660 2.536 50 0 KFAALO COc1ccc(-c2cn(-c3ccc(OC)c(OC)c3)c(NC(=O)CN(CC[NH+]3CCOCC3)C(C)=O)n2)cc1 ZINC000103281385 555351745 /nfs/dbraw/zinc/35/17/45/555351745.db2.gz KDLWINYJFIGIRY-UHFFFAOYSA-N 1 2 537.617 2.684 50 0 KFAALO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(CC[NH+]3CCOCC3)CC1)nc2-c1ccc2c(c1)OCO2 ZINC000103287042 555353071 /nfs/dbraw/zinc/35/30/71/555353071.db2.gz UERCHVVSZSABIV-UHFFFAOYSA-N 1 2 563.062 2.901 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000103287111 555353449 /nfs/dbraw/zinc/35/34/49/555353449.db2.gz HPNBPKHSMMNOOM-HHHXNRCGSA-N 1 2 580.638 2.794 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@@H]1c1cc(OC)ccc1OC ZINC000103287111 555353447 /nfs/dbraw/zinc/35/34/47/555353447.db2.gz HPNBPKHSMMNOOM-HHHXNRCGSA-N 1 2 580.638 2.794 50 0 KFAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000103287114 555353462 /nfs/dbraw/zinc/35/34/62/555353462.db2.gz HPNBPKHSMMNOOM-MHZLTWQESA-N 1 2 580.638 2.794 50 0 KFAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)OCO4)CC2)N(C)C(=O)N[C@H]1c1cc(OC)ccc1OC ZINC000103287114 555353461 /nfs/dbraw/zinc/35/34/61/555353461.db2.gz HPNBPKHSMMNOOM-MHZLTWQESA-N 1 2 580.638 2.794 50 0 KFAALO COc1ccc(C(=O)N2CCN(c3nc(C[NH+]4CCN(c5cc(Cl)ccc5OC)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103297874 555355195 /nfs/dbraw/zinc/35/51/95/555355195.db2.gz QMRMCJKJXGQXLW-UHFFFAOYSA-N 1 2 553.063 2.725 50 0 KFAALO COc1ccc(CC(=O)N2CCN(c3nc(C[NH+]4CCN(c5cc(Cl)ccc5OC)CC4)cc(=O)[nH]3)CC2)cc1 ZINC000103297899 555355038 /nfs/dbraw/zinc/35/50/38/555355038.db2.gz MYELYFHWUVLLKD-UHFFFAOYSA-N 1 2 567.090 2.654 50 0 KFAALO O=c1cc(CN2CC[NH+](Cc3ccc(F)cc3)CC2)nc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)[nH]1 ZINC000103307469 555356719 /nfs/dbraw/zinc/35/67/19/555356719.db2.gz OPGGLXGLARHZMW-UHFFFAOYSA-N 1 2 576.698 2.891 50 0 KFAALO Nc1c2c(nn1-c1cc(F)ccc1F)nc(N1CCN(CC[NH+]3CCOCC3)CC1)nc2-c1cccc(F)c1 ZINC000103318490 555358428 /nfs/dbraw/zinc/35/84/28/555358428.db2.gz XJXHIVFEDDGKTF-UHFFFAOYSA-N 1 2 538.578 2.936 50 0 KFAALO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CC(=O)N3CCOCC3)CC1)nc2-c1ccc(F)c(Cl)c1 ZINC000103322947 555358676 /nfs/dbraw/zinc/35/86/76/555358676.db2.gz FLODNUMURMGHSY-UHFFFAOYSA-N 1 2 565.053 2.897 50 0 KFAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1OC ZINC000103347899 555362810 /nfs/dbraw/zinc/36/28/10/555362810.db2.gz UIYOUJTXPQIWLB-HSZRJFAPSA-N 1 2 546.665 2.715 50 0 KFAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)C[C@H]2CN(C(=S)Nc3ccc(F)cc3)CCO2)cc1OC ZINC000103347903 555362773 /nfs/dbraw/zinc/36/27/73/555362773.db2.gz UIYOUJTXPQIWLB-QHCPKHFHSA-N 1 2 546.665 2.715 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000105039156 571390048 /nfs/dbraw/zinc/39/00/48/571390048.db2.gz LODIJPPDFWAUAA-VPUSJEBWSA-N 1 2 532.081 2.564 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000105039156 571390046 /nfs/dbraw/zinc/39/00/46/571390046.db2.gz LODIJPPDFWAUAA-VPUSJEBWSA-N 1 2 532.081 2.564 50 0 KFAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC(=O)NCCC[N@H+]1CCN(c3cccc(C)c3)[C@H](C)C1)c2=O ZINC000105477955 571405088 /nfs/dbraw/zinc/40/50/88/571405088.db2.gz JDLMCKKQKWFIDY-LJQANCHMSA-N 1 2 523.659 2.871 50 0 KFAALO COC(=O)c1ccc2c(c1)[nH]c(=S)n(CC(=O)NCCC[N@@H+]1CCN(c3cccc(C)c3)[C@H](C)C1)c2=O ZINC000105477955 571405087 /nfs/dbraw/zinc/40/50/87/571405087.db2.gz JDLMCKKQKWFIDY-LJQANCHMSA-N 1 2 523.659 2.871 50 0 KFAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCC[NH+]3CCOCC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449945 571424967 /nfs/dbraw/zinc/42/49/67/571424967.db2.gz ORTSQKLOQYRGEO-DEOSSOPVSA-N 1 2 582.698 2.504 50 0 biogenic KFAALO C[C@@H](CCc1ccccc1)[NH+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000150386573 571469389 /nfs/dbraw/zinc/46/93/89/571469389.db2.gz ZUBIZHLVPXTGGA-MHZLTWQESA-N 1 2 713.879 2.629 50 0 KFAALO C[C@H](CCc1ccccc1)[NH+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000150386574 571469406 /nfs/dbraw/zinc/46/94/06/571469406.db2.gz ZUBIZHLVPXTGGA-HHHXNRCGSA-N 1 2 713.879 2.629 50 0 KFAALO COc1cccc(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCCC4)c3)c3c(=O)[nH]c(=O)n(-c4cccc(OC)c4)c3O)c(=O)[nH]c2=O)c1 ZINC000150504205 571518966 /nfs/dbraw/zinc/51/89/66/571518966.db2.gz QEQDJRCIDJIYCL-UHFFFAOYSA-N 1 2 683.718 2.968 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000169678830 571555894 /nfs/dbraw/zinc/55/58/94/571555894.db2.gz NVYRMZRUCRQFGL-GGAORHGYSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](C[C@@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000169678830 571555893 /nfs/dbraw/zinc/55/58/93/571555893.db2.gz NVYRMZRUCRQFGL-GGAORHGYSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000169678831 571555937 /nfs/dbraw/zinc/55/59/37/571555937.db2.gz NVYRMZRUCRQFGL-FYYLOGMGSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](C[C@@H](O)COCc3ccco3)CCO2)cc(OC)c1OC ZINC000169678831 571555936 /nfs/dbraw/zinc/55/59/36/571555936.db2.gz NVYRMZRUCRQFGL-FYYLOGMGSA-N 1 2 520.623 2.682 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000169678848 571555925 /nfs/dbraw/zinc/55/59/25/571555925.db2.gz BDQGVJUWTRTLQF-VWNXMTODSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000169678848 571555924 /nfs/dbraw/zinc/55/59/24/571555924.db2.gz BDQGVJUWTRTLQF-VWNXMTODSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000169678849 571555888 /nfs/dbraw/zinc/55/58/88/571555888.db2.gz BDQGVJUWTRTLQF-ISKFKSNPSA-N 1 2 516.635 2.951 50 0 KFAALO COc1cc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)CCO2)cc(OC)c1OC ZINC000169678849 571555887 /nfs/dbraw/zinc/55/58/87/571555887.db2.gz BDQGVJUWTRTLQF-ISKFKSNPSA-N 1 2 516.635 2.951 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000169679716 571556554 /nfs/dbraw/zinc/55/65/54/571556554.db2.gz LODIJPPDFWAUAA-XNMGPUDCSA-N 1 2 532.081 2.564 50 0 KFAALO Cc1ccc(C(=O)N(CCN2CCOCC2)C[C@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)CCO2)cc1 ZINC000169679716 571556552 /nfs/dbraw/zinc/55/65/52/571556552.db2.gz LODIJPPDFWAUAA-XNMGPUDCSA-N 1 2 532.081 2.564 50 0 KFAALO COc1ccccc1N1CC[NH+](C[C@H](O)CN2C(=O)[C@@H]3[C@@H](C2=O)C2c4ccccc4C3(C(C)=O)c3ccccc32)CC1 ZINC000226644283 572139710 /nfs/dbraw/zinc/13/97/10/572139710.db2.gz BSKCHUWGIPJEQQ-NDLHGSCISA-N 1 2 565.670 2.814 50 0 KFAALO COc1ccccc1N1CC[NH+](C[C@H](O)CN2C(=O)[C@H]3[C@@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)CC1 ZINC000226644296 572139720 /nfs/dbraw/zinc/13/97/20/572139720.db2.gz BSKCHUWGIPJEQQ-SBDYPACWSA-N 1 2 565.670 2.814 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229998540 572177849 /nfs/dbraw/zinc/17/78/49/572177849.db2.gz KNXKVPINDROMLS-FROCWPDGSA-N 1 2 510.344 2.652 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229998540 572177846 /nfs/dbraw/zinc/17/78/46/572177846.db2.gz KNXKVPINDROMLS-FROCWPDGSA-N 1 2 510.344 2.652 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000229998546 572177679 /nfs/dbraw/zinc/17/76/79/572177679.db2.gz KNXKVPINDROMLS-CDNOPDGFSA-N 1 2 510.344 2.652 50 0 KFAALO O=C1Nc2ccc(Br)cc2[C@]12[C@H]1C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000229998546 572177677 /nfs/dbraw/zinc/17/76/77/572177677.db2.gz KNXKVPINDROMLS-CDNOPDGFSA-N 1 2 510.344 2.652 50 0 KFAALO O=C(C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N1CCO[C@@H](c2ccccc2)C1 ZINC000244975217 572200762 /nfs/dbraw/zinc/20/07/62/572200762.db2.gz IGYDJBQENRYITF-AREMUKBSSA-N 1 2 512.610 2.654 50 0 KFAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N1CCO[C@@H](c2ccccc2)C1 ZINC000244975217 572200757 /nfs/dbraw/zinc/20/07/57/572200757.db2.gz IGYDJBQENRYITF-AREMUKBSSA-N 1 2 512.610 2.654 50 0 KFAALO O=C(C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N1CCO[C@H](c2ccccc2)C1 ZINC000244975218 572200882 /nfs/dbraw/zinc/20/08/82/572200882.db2.gz IGYDJBQENRYITF-SANMLTNESA-N 1 2 512.610 2.654 50 0 KFAALO O=C(CN1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1)N1CCO[C@H](c2ccccc2)C1 ZINC000244975218 572200877 /nfs/dbraw/zinc/20/08/77/572200877.db2.gz IGYDJBQENRYITF-SANMLTNESA-N 1 2 512.610 2.654 50 0 KFAALO COc1ccccc1N1CC[NH+](C[C@H](O)CN2C(=O)[C@@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)CC1 ZINC000248375972 572258595 /nfs/dbraw/zinc/25/85/95/572258595.db2.gz BSKCHUWGIPJEQQ-HKFOTILOSA-N 1 2 565.670 2.814 50 0 KFAALO COc1ccccc1N1CC[NH+](C[C@H](O)CN2C(=O)[C@H]3[C@H](C2=O)C2(C(C)=O)c4ccccc4C3c3ccccc32)CC1 ZINC000248375975 572258578 /nfs/dbraw/zinc/25/85/78/572258578.db2.gz BSKCHUWGIPJEQQ-WZYUNGOBSA-N 1 2 565.670 2.814 50 0 KFAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NCC[NH+]3CCOCC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540055 572263068 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ZINC000257179867 1059044366 /nfs/dbraw/zinc/04/43/66/1059044366.db2.gz CZQJSQWEHHWUQZ-DEOSSOPVSA-N 1 2 511.648 2.573 50 0 KFAALO COc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)[C@@H](c3ccccc3)CC(=O)NCC2)c1 ZINC000257179870 1059044766 /nfs/dbraw/zinc/04/47/66/1059044766.db2.gz CZQJSQWEHHWUQZ-XMMPIXPASA-N 1 2 511.648 2.573 50 0 KFAALO COc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)[C@@H](c3ccccc3)CC(=O)NCC2)c1 ZINC000257179870 1059044745 /nfs/dbraw/zinc/04/47/45/1059044745.db2.gz CZQJSQWEHHWUQZ-XMMPIXPASA-N 1 2 511.648 2.573 50 0 KFAALO COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H](CO)[C@@H]2C(=O)N2CCN(c3cccc[nH+]3)CC2)OCO4)cc(OC)c1OC ZINC000257181244 1059044651 /nfs/dbraw/zinc/04/46/51/1059044651.db2.gz FIKVCPOHMGOWPP-RUZQMMQPSA-N 1 2 577.634 2.589 50 0 KFAALO COc1ccccc1-c1n[nH]cc1C[N@H+]1CCCN(S(C)(=O)=O)[C@@H](c2ccccc2)CC(=O)NCC1 ZINC000257182458 1059045108 /nfs/dbraw/zinc/04/51/08/1059045108.db2.gz PHLFPWCCHXLOFS-HSZRJFAPSA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccccc1-c1n[nH]cc1C[N@@H+]1CCCN(S(C)(=O)=O)[C@@H](c2ccccc2)CC(=O)NCC1 ZINC000257182458 1059045088 /nfs/dbraw/zinc/04/50/88/1059045088.db2.gz PHLFPWCCHXLOFS-HSZRJFAPSA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccccc1-c1n[nH]cc1C[N@H+]1CCCN(S(C)(=O)=O)[C@H](c2ccccc2)CC(=O)NCC1 ZINC000257182459 1059044713 /nfs/dbraw/zinc/04/47/13/1059044713.db2.gz PHLFPWCCHXLOFS-QHCPKHFHSA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccccc1-c1n[nH]cc1C[N@@H+]1CCCN(S(C)(=O)=O)[C@H](c2ccccc2)CC(=O)NCC1 ZINC000257182459 1059044695 /nfs/dbraw/zinc/04/46/95/1059044695.db2.gz PHLFPWCCHXLOFS-QHCPKHFHSA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257183740 1059045419 /nfs/dbraw/zinc/04/54/19/1059045419.db2.gz HVXNEMSUXUXOFY-AREMUKBSSA-N 1 2 577.711 2.963 50 0 KFAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257183740 1059045400 /nfs/dbraw/zinc/04/54/00/1059045400.db2.gz HVXNEMSUXUXOFY-AREMUKBSSA-N 1 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/nfs/dbraw/zinc/04/56/65/1059045665.db2.gz VCPGMWIVTONDRL-DEOSSOPVSA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(S(C)(=O)=O)[C@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257184671 1059045643 /nfs/dbraw/zinc/04/56/43/1059045643.db2.gz VCPGMWIVTONDRL-DEOSSOPVSA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCN(S(C)(=O)=O)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257184672 1059447797 /nfs/dbraw/zinc/44/77/97/1059447797.db2.gz VCPGMWIVTONDRL-XMMPIXPASA-N 1 2 511.648 2.800 50 0 KFAALO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCCN(S(C)(=O)=O)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257184672 1059447792 /nfs/dbraw/zinc/44/77/92/1059447792.db2.gz VCPGMWIVTONDRL-XMMPIXPASA-N 1 2 511.648 2.800 50 0 KFAALO O=C(COc1ccc(F)cc1)N1CCCCCCNC(=O)[C@@H]2C[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@@H]21 ZINC000257185167 1059046344 /nfs/dbraw/zinc/04/63/44/1059046344.db2.gz JGVWMHJUYZOOCA-RCXJIHSJSA-N 1 2 551.663 2.862 50 0 KFAALO CCOc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2cn(C)cn2)[C@H](c2ccccc2)CC(=O)NCC1 ZINC000257187078 1059046941 /nfs/dbraw/zinc/04/69/41/1059046941.db2.gz LHDPKHKRGCOBAA-DEOSSOPVSA-N 1 2 525.675 2.963 50 0 KFAALO CCOc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2cn(C)cn2)[C@H](c2ccccc2)CC(=O)NCC1 ZINC000257187078 1059046918 /nfs/dbraw/zinc/04/69/18/1059046918.db2.gz LHDPKHKRGCOBAA-DEOSSOPVSA-N 1 2 525.675 2.963 50 0 KFAALO CCOc1ccccc1C[N@H+]1CCCN(S(=O)(=O)c2cn(C)cn2)[C@@H](c2ccccc2)CC(=O)NCC1 ZINC000257187079 1059047054 /nfs/dbraw/zinc/04/70/54/1059047054.db2.gz LHDPKHKRGCOBAA-XMMPIXPASA-N 1 2 525.675 2.963 50 0 KFAALO CCOc1ccccc1C[N@@H+]1CCCN(S(=O)(=O)c2cn(C)cn2)[C@@H](c2ccccc2)CC(=O)NCC1 ZINC000257187079 1059047031 /nfs/dbraw/zinc/04/70/31/1059047031.db2.gz LHDPKHKRGCOBAA-XMMPIXPASA-N 1 2 525.675 2.963 50 0 KFAALO O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3ccccc3)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000257190020 1059047521 /nfs/dbraw/zinc/04/75/21/1059047521.db2.gz OHPNHHZOTNALFK-GPXOXTDOSA-N 1 2 539.702 2.506 50 0 KFAALO O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3cccs3)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000257191382 1059047992 /nfs/dbraw/zinc/04/79/92/1059047992.db2.gz PRCINQHNQHEDKK-VSKRKVRLSA-N 1 2 545.731 2.568 50 0 KFAALO O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3cccc(F)c3)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000257194318 1059048275 /nfs/dbraw/zinc/04/82/75/1059048275.db2.gz TVLHTMPDFXBYKC-SDUSCBPUSA-N 1 2 557.692 2.645 50 0 KFAALO O=C([C@@H]1C[C@H]2C(=O)NCCCCCCN(S(=O)(=O)c3cccc4nsnc43)[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000257195260 1059048750 /nfs/dbraw/zinc/04/87/50/1059048750.db2.gz VRYLCDBGBVGDSA-XPNTWCBSSA-N 1 2 597.767 2.511 50 0 KFAALO O=C(Cc1ccccc1)N1CCCCCCNC(=O)[C@H]2C[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]21 ZINC000257196962 1059048709 /nfs/dbraw/zinc/04/87/09/1059048709.db2.gz ZFCRKFLFTPLWMQ-KKUQBAQOSA-N 1 2 517.674 2.887 50 0 KFAALO COc1ccccc1-c1n[nH]cc1C[N@H+]1CCCN(S(=O)(=O)c2cn(C)cn2)[C@@H](c2ccccc2)CC(=O)NCC1 ZINC000257197062 1059048569 /nfs/dbraw/zinc/04/85/69/1059048569.db2.gz 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ZINC000263585001 572116480 /nfs/dbraw/zinc/11/64/80/572116480.db2.gz CZHXWJUFFYDJKV-BTOMHAHJSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000263585001 572116478 /nfs/dbraw/zinc/11/64/78/572116478.db2.gz CZHXWJUFFYDJKV-BTOMHAHJSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000263585002 572116489 /nfs/dbraw/zinc/11/64/89/572116489.db2.gz CZHXWJUFFYDJKV-WPHQEQLXSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000263585002 572116486 /nfs/dbraw/zinc/11/64/86/572116486.db2.gz CZHXWJUFFYDJKV-WPHQEQLXSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(O)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585574 572119278 /nfs/dbraw/zinc/11/92/78/572119278.db2.gz KFYSGPSROCVUBA-LPYUBCQDSA-N 1 2 572.618 2.502 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(O)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585574 572119277 /nfs/dbraw/zinc/11/92/77/572119277.db2.gz KFYSGPSROCVUBA-LPYUBCQDSA-N 1 2 572.618 2.502 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(O)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585575 572119325 /nfs/dbraw/zinc/11/93/25/572119325.db2.gz KFYSGPSROCVUBA-XYTRMVCOSA-N 1 2 572.618 2.502 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(O)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263585575 572119324 /nfs/dbraw/zinc/11/93/24/572119324.db2.gz KFYSGPSROCVUBA-XYTRMVCOSA-N 1 2 572.618 2.502 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccccc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586333 572122963 /nfs/dbraw/zinc/12/29/63/572122963.db2.gz SSAKRCIAUGIXDA-GYWHWRDRSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccccc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586333 572122960 /nfs/dbraw/zinc/12/29/60/572122960.db2.gz SSAKRCIAUGIXDA-GYWHWRDRSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccccc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586334 572123026 /nfs/dbraw/zinc/12/30/26/572123026.db2.gz SSAKRCIAUGIXDA-OSDLZFKDSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccccc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586334 572123024 /nfs/dbraw/zinc/12/30/24/572123024.db2.gz SSAKRCIAUGIXDA-OSDLZFKDSA-N 1 2 556.619 2.797 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586621 572124193 /nfs/dbraw/zinc/12/41/93/572124193.db2.gz WFKHUKHQHCPQFL-OYKDXHIPSA-N 1 2 586.645 2.805 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586621 572124190 /nfs/dbraw/zinc/12/41/90/572124190.db2.gz WFKHUKHQHCPQFL-OYKDXHIPSA-N 1 2 586.645 2.805 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586622 572124422 /nfs/dbraw/zinc/12/44/22/572124422.db2.gz WFKHUKHQHCPQFL-RQSLGCGOSA-N 1 2 586.645 2.805 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)cc3OC)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586622 572124418 /nfs/dbraw/zinc/12/44/18/572124418.db2.gz WFKHUKHQHCPQFL-RQSLGCGOSA-N 1 2 586.645 2.805 50 0 KFAALO COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586845 572125045 /nfs/dbraw/zinc/12/50/45/572125045.db2.gz YOWHUAIBMGBLGO-NRFANRHFSA-N 1 2 563.607 2.806 50 0 KFAALO COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586845 572125041 /nfs/dbraw/zinc/12/50/41/572125041.db2.gz YOWHUAIBMGBLGO-NRFANRHFSA-N 1 2 563.607 2.806 50 0 KFAALO COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586846 572125388 /nfs/dbraw/zinc/12/53/88/572125388.db2.gz YOWHUAIBMGBLGO-OAQYLSRUSA-N 1 2 563.607 2.806 50 0 KFAALO COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586846 572125383 /nfs/dbraw/zinc/12/53/83/572125383.db2.gz YOWHUAIBMGBLGO-OAQYLSRUSA-N 1 2 563.607 2.806 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586850 572125212 /nfs/dbraw/zinc/12/52/12/572125212.db2.gz YSKRTKWHDJABDN-MUQQHEDISA-N 1 2 586.645 2.805 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586850 572125206 /nfs/dbraw/zinc/12/52/06/572125206.db2.gz YSKRTKWHDJABDN-MUQQHEDISA-N 1 2 586.645 2.805 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586851 572125289 /nfs/dbraw/zinc/12/52/89/572125289.db2.gz YSKRTKWHDJABDN-TUSYCDLHSA-N 1 2 586.645 2.805 50 0 KFAALO COc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(OC)c(OC)c3)(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C2=O)cc1 ZINC000263586851 572125285 /nfs/dbraw/zinc/12/52/85/572125285.db2.gz YSKRTKWHDJABDN-TUSYCDLHSA-N 1 2 586.645 2.805 50 0 KFAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000299784719 572136330 /nfs/dbraw/zinc/13/63/30/572136330.db2.gz HYLCAVTVODBEKE-FPOVZHCZSA-N 1 2 545.518 2.987 50 0 KFAALO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)[N@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000299784719 572136322 /nfs/dbraw/zinc/13/63/22/572136322.db2.gz HYLCAVTVODBEKE-FPOVZHCZSA-N 1 2 545.518 2.987 50 0 KFAALO COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730838 1059009051 /nfs/dbraw/zinc/00/90/51/1059009051.db2.gz YZAQUTQTAHEHIX-NRFANRHFSA-N 1 2 503.555 2.789 50 0 KFAALO COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730838 1059009029 /nfs/dbraw/zinc/00/90/29/1059009029.db2.gz YZAQUTQTAHEHIX-NRFANRHFSA-N 1 2 503.555 2.789 50 0 KFAALO COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730839 1059009111 /nfs/dbraw/zinc/00/91/11/1059009111.db2.gz YZAQUTQTAHEHIX-OAQYLSRUSA-N 1 2 503.555 2.789 50 0 KFAALO COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1oc(C[N@@H+]2CCc3ccccc3C2)cc(=O)c1O ZINC000524730839 1059009086 /nfs/dbraw/zinc/00/90/86/1059009086.db2.gz YZAQUTQTAHEHIX-OAQYLSRUSA-N 1 2 503.555 2.789 50 0 KFAALO COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604418456 1059472214 /nfs/dbraw/zinc/47/22/14/1059472214.db2.gz GPFHUGMHOVJBLW-KRWDZBQOSA-N 1 2 506.515 2.548 50 0 KFAALO COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604418456 1059472201 /nfs/dbraw/zinc/47/22/01/1059472201.db2.gz GPFHUGMHOVJBLW-KRWDZBQOSA-N 1 2 506.515 2.548 50 0 KFAALO COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604418457 1059472155 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ZINC000824220751 1059473444 /nfs/dbraw/zinc/47/34/44/1059473444.db2.gz XMTVTTHMMRUGHW-YKSBVNFPSA-N 1 2 502.575 2.729 50 0 KFAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)[N@H+](Cc3ccccc3OC)C2)nn1 ZINC000824220751 1059473437 /nfs/dbraw/zinc/47/34/37/1059473437.db2.gz XMTVTTHMMRUGHW-YKSBVNFPSA-N 1 2 502.575 2.729 50 0 KFAALO COC(=O)C[C@@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089882 1059077040 /nfs/dbraw/zinc/07/70/40/1059077040.db2.gz NEICBXGZTOIXNC-FQEVSTJZSA-N 1 2 521.574 2.844 50 0 KFAALO COC(=O)C[C@H](c1ccc(OCc2nccn2C)c(OC)c1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089883 1059076981 /nfs/dbraw/zinc/07/69/81/1059076981.db2.gz NEICBXGZTOIXNC-HXUWFJFHSA-N 1 2 521.574 2.844 50 0 KFAALO COCCCN1CC(=O)N[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952855919 1059491841 /nfs/dbraw/zinc/49/18/41/1059491841.db2.gz RWOIHYBYLVAFRA-WUFINQPMSA-N 1 2 619.719 2.798 50 0 KFAALO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O ZINC000952856111 1059493825 /nfs/dbraw/zinc/49/38/25/1059493825.db2.gz KPZNOQZZONYRCK-SANMLTNESA-N 1 2 515.614 2.773 50 0 KFAALO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1cccc(c1)CCNC2=O ZINC000952856111 1059493813 /nfs/dbraw/zinc/49/38/13/1059493813.db2.gz KPZNOQZZONYRCK-SANMLTNESA-N 1 2 515.614 2.773 50 0 KFAALO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856310 1059495674 /nfs/dbraw/zinc/49/56/74/1059495674.db2.gz XPTBIEXSFDBHLU-WUFINQPMSA-N 1 2 618.735 2.947 50 0 KFAALO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O ZINC000952856310 1059495664 /nfs/dbraw/zinc/49/56/64/1059495664.db2.gz XPTBIEXSFDBHLU-WUFINQPMSA-N 1 2 618.735 2.947 50 0 KFAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CC[N@@H+](Cc3[nH]cnc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952856335 1059496741 /nfs/dbraw/zinc/49/67/41/1059496741.db2.gz YXNTTWRZXKLKNE-UIOOFZCWSA-N 1 2 563.655 2.633 50 0 KFAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CC[N@H+](Cc3[nH]cnc3C)C[C@@H]1NC(=O)CN(CCCO)C2=O ZINC000952856335 1059496732 /nfs/dbraw/zinc/49/67/32/1059496732.db2.gz YXNTTWRZXKLKNE-UIOOFZCWSA-N 1 2 563.655 2.633 50 0 KFAALO O=C(Cn1cc[nH+]c1)N1CC[C@H]2OCc3cccc(c3)Oc3cc(OCC4CC4)cc(c3)C(=O)NCCC(=O)N[C@H]2C1 ZINC000952857030 1059501611 /nfs/dbraw/zinc/50/16/11/1059501611.db2.gz GUWUCDQTBULVMI-WUFINQPMSA-N 1 2 573.650 2.900 50 0 KFAALO CCCc1cc(N2C[C@@H]3NC(=O)CN(CCOC)C(=O)c4cncc(c4)Oc4cccc(c4)CO[C@H]3C2)nc(C)[nH+]1 ZINC000952857108 1059502109 /nfs/dbraw/zinc/50/21/09/1059502109.db2.gz IZCQIDMSTJIIDO-SVBPBHIXSA-N 1 2 560.655 2.917 50 0 KFAALO COc1c(F)cccc1C[N@H+]1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 ZINC000952857121 1059502156 /nfs/dbraw/zinc/50/21/56/1059502156.db2.gz JUQCBCLVJLHEQE-RUZDIDTESA-N 1 2 570.641 2.963 50 0 KFAALO COc1c(F)cccc1C[N@@H+]1CCNC(=O)[C@@H](CC(C)C)NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CC1 ZINC000952857121 1059502141 /nfs/dbraw/zinc/50/21/41/1059502141.db2.gz JUQCBCLVJLHEQE-RUZDIDTESA-N 1 2 570.641 2.963 50 0 KFAALO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3ccc(OC)c(OC)c3OC)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857289 1059503589 /nfs/dbraw/zinc/50/35/89/1059503589.db2.gz VLNDAIUMGGOTPA-XCZPVHLTSA-N 1 2 606.676 2.888 50 0 KFAALO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3ccc(OC)c(OC)c3OC)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857289 1059503572 /nfs/dbraw/zinc/50/35/72/1059503572.db2.gz VLNDAIUMGGOTPA-XCZPVHLTSA-N 1 2 606.676 2.888 50 0 KFAALO O=C1N[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952857293 1059503396 /nfs/dbraw/zinc/50/33/96/1059503396.db2.gz VMSKRVCHTLPIEI-URXFXBBRSA-N 1 2 523.981 2.897 50 0 KFAALO O=C1N[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl ZINC000952857293 1059503374 /nfs/dbraw/zinc/50/33/74/1059503374.db2.gz VMSKRVCHTLPIEI-URXFXBBRSA-N 1 2 523.981 2.897 50 0 KFAALO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857296 1059503647 /nfs/dbraw/zinc/50/36/47/1059503647.db2.gz QXJFEJWMUNFUMA-WNJJXGMVSA-N 1 2 574.634 2.633 50 0 KFAALO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952857296 1059503627 /nfs/dbraw/zinc/50/36/27/1059503627.db2.gz QXJFEJWMUNFUMA-WNJJXGMVSA-N 1 2 574.634 2.633 50 0 KFAALO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(OC(C)C)[nH+]c(N)n3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952857390 1059504285 /nfs/dbraw/zinc/50/42/85/1059504285.db2.gz XTKGVISDPGXYLR-UPVQGACJSA-N 1 2 546.628 2.923 50 0 KFAALO COc1ccc(C[N@H+]2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1Cn1cncn1 ZINC000952857422 1059504154 /nfs/dbraw/zinc/50/41/54/1059504154.db2.gz UCEHTNBINDMWOF-IGKIAQTJSA-N 1 2 579.061 2.562 50 0 KFAALO COc1ccc(C[N@@H+]2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1Cn1cncn1 ZINC000952857422 1059504137 /nfs/dbraw/zinc/50/41/37/1059504137.db2.gz UCEHTNBINDMWOF-IGKIAQTJSA-N 1 2 579.061 2.562 50 0 KFAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3[nH]cnc3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857722 1059506608 /nfs/dbraw/zinc/50/66/08/1059506608.db2.gz RZSQILFVPMNKNZ-XCZPVHLTSA-N 1 2 578.670 2.738 50 0 KFAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3[nH]cnc3C)C[C@@H]1OCc1cccc(c1)O2 ZINC000952857722 1059506589 /nfs/dbraw/zinc/50/65/89/1059506589.db2.gz RZSQILFVPMNKNZ-XCZPVHLTSA-N 1 2 578.670 2.738 50 0 KFAALO COCCCN1CC(=O)N[C@H]2C[N@H+](Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857830 1059506462 /nfs/dbraw/zinc/50/64/62/1059506462.db2.gz QAOYKJYNVYCBMY-RRPNLBNLSA-N 1 2 576.698 2.988 50 0 KFAALO COCCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cnc(N)nc3)CC[C@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 ZINC000952857830 1059506443 /nfs/dbraw/zinc/50/64/43/1059506443.db2.gz QAOYKJYNVYCBMY-RRPNLBNLSA-N 1 2 576.698 2.988 50 0 KFAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C[N@@H+](C)Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857860 1059507188 /nfs/dbraw/zinc/50/71/88/1059507188.db2.gz WMTZMCCILIEJQV-WNJJXGMVSA-N 1 2 559.667 2.672 50 0 KFAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C[N@H+](C)Cc3cccnc3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952857860 1059507171 /nfs/dbraw/zinc/50/71/71/1059507171.db2.gz WMTZMCCILIEJQV-WNJJXGMVSA-N 1 2 559.667 2.672 50 0 KFAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3cnn4cccnc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858184 1059508478 /nfs/dbraw/zinc/50/84/78/1059508478.db2.gz WXWPPULNMWPCGA-VMPREFPWSA-N 1 2 615.691 2.749 50 0 KFAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cnn4cccnc34)C[C@@H]1OCc1cccc(c1)O2 ZINC000952858184 1059508457 /nfs/dbraw/zinc/50/84/57/1059508457.db2.gz WXWPPULNMWPCGA-VMPREFPWSA-N 1 2 615.691 2.749 50 0 KFAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@@H+](Cc3ccnn3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861625 1059511267 /nfs/dbraw/zinc/51/12/67/1059511267.db2.gz CRFVTKXGUNMIPY-RRPNLBNLSA-N 1 2 533.629 2.973 50 0 KFAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](Cc3ccnn3C)CC[C@H]1OCc1cccc(c1)O2 ZINC000952861625 1059511248 /nfs/dbraw/zinc/51/12/48/1059511248.db2.gz CRFVTKXGUNMIPY-RRPNLBNLSA-N 1 2 533.629 2.973 50 0 KFAALO COCCN1CC(=O)N[C@H]2C[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861919 1059513061 /nfs/dbraw/zinc/51/30/61/1059513061.db2.gz DCPJVPAKUHFIRQ-WNJJXGMVSA-N 1 2 606.676 2.888 50 0 KFAALO COCCN1CC(=O)N[C@H]2C[N@H+](Cc3cc(OC)c(OC)c(OC)c3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O ZINC000952861919 1059513045 /nfs/dbraw/zinc/51/30/45/1059513045.db2.gz DCPJVPAKUHFIRQ-WNJJXGMVSA-N 1 2 606.676 2.888 50 0 KFAALO O=C(CCCn1cc[nH+]c1)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 ZINC000952862317 1059514943 /nfs/dbraw/zinc/51/49/43/1059514943.db2.gz NYLZQMGFEZMESZ-KYJUHHDHSA-N 1 2 603.720 2.915 50 0 KFAALO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@H+](Cc3cnc(N4CCOCC4)nc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862397 1059515280 /nfs/dbraw/zinc/51/52/80/1059515280.db2.gz PBYRFDZTRICTPR-WUFINQPMSA-N 1 2 586.693 2.775 50 0 KFAALO Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CC[N@@H+](Cc3cnc(N4CCOCC4)nc3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862397 1059515265 /nfs/dbraw/zinc/51/52/65/1059515265.db2.gz PBYRFDZTRICTPR-WUFINQPMSA-N 1 2 586.693 2.775 50 0 KFAALO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)C3(Cn4cc[nH+]c4)CC3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952862963 1059518327 /nfs/dbraw/zinc/51/83/27/1059518327.db2.gz OKDCJYUCSUEOAF-AHWVRZQESA-N 1 2 543.624 2.762 50 0 KFAALO Cc1cnn(C)c1C[N@H+]1C[C@@H]2NC(=O)CCNC(=O)CCc3ccc(cc3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863089 1059519415 /nfs/dbraw/zinc/51/94/15/1059519415.db2.gz FOOMAOPRQPEIDP-BDYUSTAISA-N 1 2 517.630 2.859 50 0 KFAALO Cc1cnn(C)c1C[N@@H+]1C[C@@H]2NC(=O)CCNC(=O)CCc3ccc(cc3)Oc3cccc(c3)CO[C@H]2C1 ZINC000952863089 1059519397 /nfs/dbraw/zinc/51/93/97/1059519397.db2.gz FOOMAOPRQPEIDP-BDYUSTAISA-N 1 2 517.630 2.859 50 0 KFAALO CCc1nccc(C[N@H+]2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)n1 ZINC000952863110 1059519531 /nfs/dbraw/zinc/51/95/31/1059519531.db2.gz FNVTYRCEPJSFBF-SVBPBHIXSA-N 1 2 589.693 2.954 50 0 KFAALO CCc1nccc(C[N@@H+]2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)n1 ZINC000952863110 1059519506 /nfs/dbraw/zinc/51/95/06/1059519506.db2.gz FNVTYRCEPJSFBF-SVBPBHIXSA-N 1 2 589.693 2.954 50 0 KFAALO COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc(-n3cc[nH+]c3)cc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O ZINC000952863221 1059520823 /nfs/dbraw/zinc/52/08/23/1059520823.db2.gz CQFBJZFXRVHXKW-BBKBELTISA-N 1 2 743.866 2.504 50 0 KFAALO CCCn1cc(C[N@H+]2C[C@@H]3NC(=O)CN(CCOC)C(=O)c4cncc(c4)Oc4cccc(c4)CO[C@H]3C2)c(C)n1 ZINC000952863903 1059526348 /nfs/dbraw/zinc/52/63/48/1059526348.db2.gz JKPAAXIKVABPTA-NSOVKSMOSA-N 1 2 562.671 2.777 50 0 KFAALO CCCn1cc(C[N@@H+]2C[C@@H]3NC(=O)CN(CCOC)C(=O)c4cncc(c4)Oc4cccc(c4)CO[C@H]3C2)c(C)n1 ZINC000952863903 1059526332 /nfs/dbraw/zinc/52/63/32/1059526332.db2.gz JKPAAXIKVABPTA-NSOVKSMOSA-N 1 2 562.671 2.777 50 0 KFAALO CCc1ncc(C[N@H+]2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)cn1 ZINC000952863986 1059526278 /nfs/dbraw/zinc/52/62/78/1059526278.db2.gz UVDFWNDJDIJOHM-SVBPBHIXSA-N 1 2 589.693 2.954 50 0 KFAALO CCc1ncc(C[N@@H+]2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4OC)C(=O)N(CCCO)CC(=O)N[C@H]3C2)cn1 ZINC000952863986 1059526260 /nfs/dbraw/zinc/52/62/60/1059526260.db2.gz UVDFWNDJDIJOHM-SVBPBHIXSA-N 1 2 589.693 2.954 50 0 KFAALO CCCCc1[nH]c(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)c[nH+]1 ZINC000952864553 1059530676 /nfs/dbraw/zinc/53/06/76/1059530676.db2.gz KAJKAKCXDGETEV-RUZDIDTESA-N 1 2 568.698 2.881 50 0 KFAALO CCCCc1[nH]cc(CN2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)[nH+]1 ZINC000952864553 1059530654 /nfs/dbraw/zinc/53/06/54/1059530654.db2.gz KAJKAKCXDGETEV-RUZDIDTESA-N 1 2 568.698 2.881 50 0 KFAALO CCCCc1[nH]cc(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)[nH+]1 ZINC000952864760 1059532029 /nfs/dbraw/zinc/53/20/29/1059532029.db2.gz PBGQVZGSIWTNEY-GMAHTHKFSA-N 1 2 514.030 2.979 50 0 KFAALO CCCCc1[nH]c(CN2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c[nH+]1 ZINC000952864760 1059532018 /nfs/dbraw/zinc/53/20/18/1059532018.db2.gz PBGQVZGSIWTNEY-GMAHTHKFSA-N 1 2 514.030 2.979 50 0 KFAALO O=C(N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1)C1(Cn2cc[nH+]c2)CC1 ZINC000952865120 1059534386 /nfs/dbraw/zinc/53/43/86/1059534386.db2.gz NAXASFGGZVKZHR-KYJUHHDHSA-N 1 2 615.731 2.915 50 0 KFAALO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(N(C)C)nc[nH+]3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865835 1059538019 /nfs/dbraw/zinc/53/80/19/1059538019.db2.gz UFGZLTMPNRVQGT-UPVQGACJSA-N 1 2 516.602 2.619 50 0 KFAALO Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(c3cc(N(C)C)[nH+]cn3)C[C@@H]1NC(=O)CN(C)C2=O ZINC000952865835 1059538001 /nfs/dbraw/zinc/53/80/01/1059538001.db2.gz UFGZLTMPNRVQGT-UPVQGACJSA-N 1 2 516.602 2.619 50 0 KFAALO Cc1ccc2cc1OCCCn1cc(nn1)CC[N@@H+](Cc1nc(-c3ccc(F)cc3)cs1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952866821 1059541163 /nfs/dbraw/zinc/54/11/63/1059541163.db2.gz FHENFEZTDLXDHY-PBBNMVCDSA-N 1 2 621.739 2.972 50 0 KFAALO Cc1ccc2cc1OCCCn1cc(nn1)CC[N@H+](Cc1nc(-c3ccc(F)cc3)cs1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O ZINC000952866821 1059541140 /nfs/dbraw/zinc/54/11/40/1059541140.db2.gz FHENFEZTDLXDHY-PBBNMVCDSA-N 1 2 621.739 2.972 50 0 KFAALO Cc1oc(-c2cccs2)nc1C[N@H+]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(C)c(c2)OCCCn2cc(nn2)CC1 ZINC000952868251 1059522471 /nfs/dbraw/zinc/52/24/71/1059522471.db2.gz HFYVDGVUFMLLGJ-HRFSGMKKSA-N 1 2 607.737 2.734 50 0 KFAALO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(C)c(c2)OCCCn2cc(nn2)CC1 ZINC000952868251 1059522456 /nfs/dbraw/zinc/52/24/56/1059522456.db2.gz HFYVDGVUFMLLGJ-HRFSGMKKSA-N 1 2 607.737 2.734 50 0 KFAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@@H+](Cc3cnc(N)nc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952868410 1059523262 /nfs/dbraw/zinc/52/32/62/1059523262.db2.gz NIGTUOJKLJIOCF-IZZNHLLZSA-N 1 2 546.628 2.611 50 0 KFAALO CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1C[N@H+](Cc3cnc(N)nc3)CC[C@H]1OCc1cccc(c1)O2 ZINC000952868410 1059523250 /nfs/dbraw/zinc/52/32/50/1059523250.db2.gz NIGTUOJKLJIOCF-IZZNHLLZSA-N 1 2 546.628 2.611 50 0 KFAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@@H+](Cc3cnc(N(C)C)nc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952868973 1059523957 /nfs/dbraw/zinc/52/39/57/1059523957.db2.gz FQFALQNYNUBHTO-VMPREFPWSA-N 1 2 619.723 2.562 50 0 KFAALO COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CC[N@H+](Cc3cnc(N(C)C)nc3)C[C@@H]1OCc1cccc(c1)O2 ZINC000952868973 1059523942 /nfs/dbraw/zinc/52/39/42/1059523942.db2.gz FQFALQNYNUBHTO-VMPREFPWSA-N 1 2 619.723 2.562 50 0 KFAALO O=C1CN(C2CC2)Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2N1 ZINC000952974253 1059542495 /nfs/dbraw/zinc/54/24/95/1059542495.db2.gz UHRLBFJQPTXILL-UIOOFZCWSA-N 1 2 501.587 2.566 50 0 KFAALO Cc1ccc(-c2cccc(C[N@H+]3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)c2)o1 ZINC000952974526 1059542435 /nfs/dbraw/zinc/54/24/35/1059542435.db2.gz MCLIXAUEYWERJN-URLMMPGGSA-N 1 2 595.704 2.697 50 0 KFAALO Cc1ccc(-c2cccc(C[N@@H+]3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)c2)o1 ZINC000952974526 1059542420 /nfs/dbraw/zinc/54/24/20/1059542420.db2.gz MCLIXAUEYWERJN-URLMMPGGSA-N 1 2 595.704 2.697 50 0 KFAALO C[N@@H+](CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1)Cc1ccccn1 ZINC000952974758 1059542292 /nfs/dbraw/zinc/54/22/92/1059542292.db2.gz VEIGZQDFCDKOLA-ACHIHNKUSA-N 1 2 629.758 2.765 50 0 KFAALO C[N@H+](CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1)Cc1ccccn1 ZINC000952974758 1059542271 /nfs/dbraw/zinc/54/22/71/1059542271.db2.gz VEIGZQDFCDKOLA-ACHIHNKUSA-N 1 2 629.758 2.765 50 0 KFAALO