smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@H]1CCCN(C(=O)c2csc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3ccc(F)cc3)n2)C1 ZINC000000700633 551529130 /nfs/dbraw/zinc/52/91/30/551529130.db2.gz MSYSZIGXTARUAC-QHCPKHFHSA-N 1 2 569.699 4.960 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2csc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3ccc(F)cc3)n2)C1 ZINC000000700633 551529126 /nfs/dbraw/zinc/52/91/26/551529126.db2.gz MSYSZIGXTARUAC-QHCPKHFHSA-N 1 2 569.699 4.960 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3ccc(F)cc3)n2)C1 ZINC000000700634 551529140 /nfs/dbraw/zinc/52/91/40/551529140.db2.gz MSYSZIGXTARUAC-HSZRJFAPSA-N 1 2 569.699 4.960 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3ccc(F)cc3)n2)C1 ZINC000000700634 551529137 /nfs/dbraw/zinc/52/91/37/551529137.db2.gz MSYSZIGXTARUAC-HSZRJFAPSA-N 1 2 569.699 4.960 50 0 KJAALO FC(F)(Cl)Oc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000000718805 551535569 /nfs/dbraw/zinc/53/55/69/551535569.db2.gz AZHQZHTXQFACMU-UHFFFAOYSA-N 1 2 552.413 4.600 50 0 KJAALO O=C1C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000001066411 551601883 /nfs/dbraw/zinc/60/18/83/551601883.db2.gz RUAWAFHLEZCYFW-DEOSSOPVSA-N 1 2 540.408 4.766 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000001076433 551604347 /nfs/dbraw/zinc/60/43/47/551604347.db2.gz LARMMMKVFFKREQ-UHFFFAOYSA-N 1 2 566.705 4.582 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3OC)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000001076433 551604345 /nfs/dbraw/zinc/60/43/45/551604345.db2.gz LARMMMKVFFKREQ-UHFFFAOYSA-N 1 2 566.705 4.582 50 0 KJAALO O=C1C[C@@H](N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000001248203 551631977 /nfs/dbraw/zinc/63/19/77/551631977.db2.gz IFBGLGWKKHMAKD-RSXGOPAZSA-N 1 2 585.873 4.984 50 0 KJAALO O=C1C[C@H](N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000001248204 551632028 /nfs/dbraw/zinc/63/20/28/551632028.db2.gz IFBGLGWKKHMAKD-AZGAKELHSA-N 1 2 585.873 4.984 50 0 KJAALO O=C1C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000001254966 551633147 /nfs/dbraw/zinc/63/31/47/551633147.db2.gz YFUIIYTXBCIQIX-DEOSSOPVSA-N 1 2 587.408 4.609 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001270027 551634603 /nfs/dbraw/zinc/63/46/03/551634603.db2.gz RIOZHDRCQIFYRF-AWEZNQCLSA-N 1 2 553.379 4.885 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000001270028 551634578 /nfs/dbraw/zinc/63/45/78/551634578.db2.gz RIOZHDRCQIFYRF-CQSZACIVSA-N 1 2 553.379 4.885 50 0 KJAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[N@H+](C)C4)c(OC)c1 ZINC000001270809 551634570 /nfs/dbraw/zinc/63/45/70/551634570.db2.gz PSLWJCMONFPLSG-UHFFFAOYSA-N 1 2 557.097 4.837 50 0 KJAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[N@@H+](C)C4)c(OC)c1 ZINC000001270809 551634567 /nfs/dbraw/zinc/63/45/67/551634567.db2.gz PSLWJCMONFPLSG-UHFFFAOYSA-N 1 2 557.097 4.837 50 0 KJAALO CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OCC)cc2)CC[N@H+](C)C4)cc1 ZINC000001279668 551636429 /nfs/dbraw/zinc/63/64/29/551636429.db2.gz MWQAGTRGFBDWCY-UHFFFAOYSA-N 1 2 550.706 4.963 50 0 KJAALO CCOc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OCC)cc2)CC[N@@H+](C)C4)cc1 ZINC000001279668 551636427 /nfs/dbraw/zinc/63/64/27/551636427.db2.gz MWQAGTRGFBDWCY-UHFFFAOYSA-N 1 2 550.706 4.963 50 0 KJAALO COc1ccc(CCNc2nc(N3CCc4cc(OC)c(OC)cc4C3)c3cc(OC)c(OC)cc3[nH+]2)cc1OC ZINC000001533769 551684042 /nfs/dbraw/zinc/68/40/42/551684042.db2.gz PPMZZFZYBXDSRH-UHFFFAOYSA-N 1 2 560.651 4.899 50 0 in-vitro KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)c1ccc(Cl)cc1 ZINC000001815564 551707544 /nfs/dbraw/zinc/70/75/44/551707544.db2.gz DRPOIILYAQVOKG-UHFFFAOYSA-N 1 2 584.127 4.527 50 0 KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NS(=O)(=O)Cc3ccccc3)c2cc1OC ZINC000002099588 551762042 /nfs/dbraw/zinc/76/20/42/551762042.db2.gz LKDDZHYUGZNMGN-UHFFFAOYSA-N 1 2 508.596 4.802 50 0 biogenic KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)c3ccc4c(c3)OCO4)c2cc1OC ZINC000002214213 551794596 /nfs/dbraw/zinc/79/45/96/551794596.db2.gz ACVMTJIMEBXTOP-UHFFFAOYSA-N 1 2 502.523 4.841 50 0 KJAALO O=C1C[C@@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(Br)c(Cl)c1 ZINC000002317642 552092991 /nfs/dbraw/zinc/09/29/91/552092991.db2.gz SHBIECSUXDEXGJ-GOSISDBHSA-N 1 2 517.638 4.863 50 0 KJAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000002401491 552111520 /nfs/dbraw/zinc/11/15/20/552111520.db2.gz IZEGFHVEQPXRSV-UHFFFAOYSA-N 1 2 509.912 4.549 50 0 KJAALO COc1ccc(-c2csc(NC(=O)CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(F)cc3)n2)cc1 ZINC000002618779 552137300 /nfs/dbraw/zinc/13/73/00/552137300.db2.gz OLSLOPGWLVJSSZ-HNNXBMFYSA-N 1 2 512.636 4.892 50 0 KJAALO COc1ccc(-c2csc(NC(=O)CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(F)cc3)n2)cc1 ZINC000002618780 552137288 /nfs/dbraw/zinc/13/72/88/552137288.db2.gz OLSLOPGWLVJSSZ-OAHLLOKOSA-N 1 2 512.636 4.892 50 0 KJAALO COc1cc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc3n2)cc(OC)c1OC ZINC000002620837 552137975 /nfs/dbraw/zinc/13/79/75/552137975.db2.gz JTLQKGWASZUEAY-UHFFFAOYSA-N 1 2 541.604 4.614 50 0 KJAALO CCC[N@@H+](CC(=O)Nc1ccc(I)cc1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002650460 552146373 /nfs/dbraw/zinc/14/63/73/552146373.db2.gz ODXUNYSWTYIWGG-UHFFFAOYSA-N 1 2 520.198 4.887 50 0 KJAALO CCC[N@H+](CC(=O)Nc1ccc(I)cc1)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000002650460 552146372 /nfs/dbraw/zinc/14/63/72/552146372.db2.gz ODXUNYSWTYIWGG-UHFFFAOYSA-N 1 2 520.198 4.887 50 0 KJAALO CCOc1ccc2nc(NC(=O)CSc3nnc([C@@H](C)[NH+](C)C)n3-c3ccc(F)cc3)sc2c1 ZINC000002663303 552150762 /nfs/dbraw/zinc/15/07/62/552150762.db2.gz JUAPWWHHBRNBJQ-CQSZACIVSA-N 1 2 500.625 4.768 50 0 KJAALO CCOc1ccc2nc(NC(=O)CSc3nnc([C@H](C)[NH+](C)C)n3-c3ccc(F)cc3)sc2c1 ZINC000002663304 552150832 /nfs/dbraw/zinc/15/08/32/552150832.db2.gz JUAPWWHHBRNBJQ-AWEZNQCLSA-N 1 2 500.625 4.768 50 0 KJAALO CCCCn1c2ccccc2c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OCC)CC[N@H+](C)C4)nc21 ZINC000002746285 552173817 /nfs/dbraw/zinc/17/38/17/552173817.db2.gz AMGWHUCQVMQEEC-UHFFFAOYSA-N 1 2 538.699 4.737 50 0 KJAALO CCCCn1c2ccccc2c2nnc(SCC(=O)Nc3sc4c(c3C(=O)OCC)CC[N@@H+](C)C4)nc21 ZINC000002746285 552173816 /nfs/dbraw/zinc/17/38/16/552173816.db2.gz AMGWHUCQVMQEEC-UHFFFAOYSA-N 1 2 538.699 4.737 50 0 KJAALO O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000002779271 552187989 /nfs/dbraw/zinc/18/79/89/552187989.db2.gz VMMSMDBCWUDATJ-UHFFFAOYSA-N 1 2 520.437 4.547 50 0 KJAALO COc1ccc(NC(=O)c2sc3nc(C)nc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)cc1Cl ZINC000002911832 552214926 /nfs/dbraw/zinc/21/49/26/552214926.db2.gz QLYVYFUTFFUSAN-UHFFFAOYSA-N 1 2 509.035 4.944 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)c1sc2nc(C)nc(N3CCN(c4cccc[nH+]4)CC3)c2c1C ZINC000002911843 552214893 /nfs/dbraw/zinc/21/48/93/552214893.db2.gz DPVNZUAVYGCNOU-UHFFFAOYSA-N 1 2 509.035 4.944 50 0 KJAALO COc1cc(OC)c(NC(=O)c2sc3nc(C)nc(N4CCN(c5cccc[nH+]5)CC4)c3c2C)cc1Cl ZINC000002911871 552214872 /nfs/dbraw/zinc/21/48/72/552214872.db2.gz USYHOFPCOOFRJZ-UHFFFAOYSA-N 1 2 539.061 4.953 50 0 KJAALO CC[C@H](Sc1nc2ccccc2c2nc(CCn3c(C)[nH+]c4ccccc43)nn21)C(=O)NCc1ccco1 ZINC000002969311 552242742 /nfs/dbraw/zinc/24/27/42/552242742.db2.gz QOHDVTYOLPKIKL-DEOSSOPVSA-N 1 2 525.638 4.958 50 0 KJAALO CC[C@@H](Sc1nc2ccccc2c2nc(CCn3c(C)[nH+]c4ccccc43)nn21)C(=O)NCc1ccco1 ZINC000002969313 552242709 /nfs/dbraw/zinc/24/27/09/552242709.db2.gz QOHDVTYOLPKIKL-XMMPIXPASA-N 1 2 525.638 4.958 50 0 KJAALO O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000002973697 552245473 /nfs/dbraw/zinc/24/54/73/552245473.db2.gz LRNKSFHDZGHSBD-UHFFFAOYSA-N 1 2 593.503 4.557 50 0 KJAALO CC[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1)c1cccc(C)c1 ZINC000002975404 552246754 /nfs/dbraw/zinc/24/67/54/552246754.db2.gz TTWUNMGMTJVYML-UHFFFAOYSA-N 1 2 530.650 4.791 50 0 KJAALO CC[N@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[nH]c2=S)OCO4)cc1)c1cccc(C)c1 ZINC000002975404 552246753 /nfs/dbraw/zinc/24/67/53/552246753.db2.gz TTWUNMGMTJVYML-UHFFFAOYSA-N 1 2 530.650 4.791 50 0 KJAALO CC[N@@H+](CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1)c1cccc(C)c1 ZINC000003007910 552255941 /nfs/dbraw/zinc/25/59/41/552255941.db2.gz HKYWHYWFBSQJCW-UHFFFAOYSA-N 1 2 507.656 4.741 50 0 KJAALO CC[N@H+](CCCNC(=O)c1ccc(S(=O)(=O)c2ccc(C)cc2)c(NC(C)=O)c1)c1cccc(C)c1 ZINC000003007910 552255939 /nfs/dbraw/zinc/25/59/39/552255939.db2.gz HKYWHYWFBSQJCW-UHFFFAOYSA-N 1 2 507.656 4.741 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000003062448 552283192 /nfs/dbraw/zinc/28/31/92/552283192.db2.gz GTAOLZXBOIVIER-UHFFFAOYSA-N 1 2 573.074 4.691 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003063405 552284138 /nfs/dbraw/zinc/28/41/38/552284138.db2.gz KWUFCOFRRXNQKC-IMRQLAEWSA-N 1 2 517.626 4.568 50 0 KJAALO O=C(c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000003201850 552304070 /nfs/dbraw/zinc/30/40/70/552304070.db2.gz YYNJCZXYLXDMTA-UHFFFAOYSA-N 1 2 582.000 4.846 50 0 KJAALO O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000003217213 552307999 /nfs/dbraw/zinc/30/79/99/552307999.db2.gz MFGQPUXXKLPUAJ-UHFFFAOYSA-N 1 2 566.438 4.620 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003220092 552309581 /nfs/dbraw/zinc/30/95/81/552309581.db2.gz QTLCHLVKNDJTRO-UHFFFAOYSA-N 1 2 530.675 4.705 50 0 aggregator KJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003220092 552309580 /nfs/dbraw/zinc/30/95/80/552309580.db2.gz QTLCHLVKNDJTRO-UHFFFAOYSA-N 1 2 530.675 4.705 50 0 aggregator KJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003221244 552310345 /nfs/dbraw/zinc/31/03/45/552310345.db2.gz MKBBWMSAPWJHKN-UHFFFAOYSA-N 1 2 510.685 4.518 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000003221244 552310342 /nfs/dbraw/zinc/31/03/42/552310342.db2.gz MKBBWMSAPWJHKN-UHFFFAOYSA-N 1 2 510.685 4.518 50 0 KJAALO C[N@H+](Cc1ccccc1)Cn1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n(-c2ccccc2)c1=S ZINC000003246193 552320674 /nfs/dbraw/zinc/32/06/74/552320674.db2.gz AIUVKDDGTOBWTH-UHFFFAOYSA-N 1 2 519.696 4.944 50 0 KJAALO C[N@@H+](Cc1ccccc1)Cn1nc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n(-c2ccccc2)c1=S ZINC000003246193 552320672 /nfs/dbraw/zinc/32/06/72/552320672.db2.gz AIUVKDDGTOBWTH-UHFFFAOYSA-N 1 2 519.696 4.944 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000003260357 552326005 /nfs/dbraw/zinc/32/60/05/552326005.db2.gz ICDDGCYAQCAJLZ-HSZRJFAPSA-N 1 2 577.728 4.840 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000003260357 552326004 /nfs/dbraw/zinc/32/60/04/552326004.db2.gz ICDDGCYAQCAJLZ-HSZRJFAPSA-N 1 2 577.728 4.840 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000003260361 552326052 /nfs/dbraw/zinc/32/60/52/552326052.db2.gz ICDDGCYAQCAJLZ-QHCPKHFHSA-N 1 2 577.728 4.840 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000003260361 552326051 /nfs/dbraw/zinc/32/60/51/552326051.db2.gz ICDDGCYAQCAJLZ-QHCPKHFHSA-N 1 2 577.728 4.840 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003271929 552332260 /nfs/dbraw/zinc/33/22/60/552332260.db2.gz GLELGKXDJFGSPB-UHFFFAOYSA-N 1 2 531.103 4.782 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000003271929 552332258 /nfs/dbraw/zinc/33/22/58/552332258.db2.gz GLELGKXDJFGSPB-UHFFFAOYSA-N 1 2 531.103 4.782 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003272397 552332573 /nfs/dbraw/zinc/33/25/73/552332573.db2.gz HOUYIVXEAOGMQK-UHFFFAOYSA-N 1 2 510.685 4.518 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003272397 552332571 /nfs/dbraw/zinc/33/25/71/552332571.db2.gz HOUYIVXEAOGMQK-UHFFFAOYSA-N 1 2 510.685 4.518 50 0 KJAALO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)C1 ZINC000003285698 552337457 /nfs/dbraw/zinc/33/74/57/552337457.db2.gz WTKPHLBNIJXGSE-INIZCTEOSA-N 1 2 504.052 4.746 50 0 KJAALO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)C1 ZINC000003285698 552337456 /nfs/dbraw/zinc/33/74/56/552337456.db2.gz WTKPHLBNIJXGSE-INIZCTEOSA-N 1 2 504.052 4.746 50 0 KJAALO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)C1 ZINC000003285701 552337522 /nfs/dbraw/zinc/33/75/22/552337522.db2.gz WTKPHLBNIJXGSE-MRXNPFEDSA-N 1 2 504.052 4.746 50 0 KJAALO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)C1 ZINC000003285701 552337519 /nfs/dbraw/zinc/33/75/19/552337519.db2.gz WTKPHLBNIJXGSE-MRXNPFEDSA-N 1 2 504.052 4.746 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000003296815 552343503 /nfs/dbraw/zinc/34/35/03/552343503.db2.gz IPLJOTHRASADJO-UHFFFAOYSA-N 1 2 544.702 4.701 50 0 KJAALO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000003296815 552343499 /nfs/dbraw/zinc/34/34/99/552343499.db2.gz IPLJOTHRASADJO-UHFFFAOYSA-N 1 2 544.702 4.701 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1)C[N@H+](Cc1ccccc1)CC2 ZINC000003303883 552347826 /nfs/dbraw/zinc/34/78/26/552347826.db2.gz NAQGWORPMXPDGL-GOSISDBHSA-N 1 2 548.694 4.578 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003303883 552347823 /nfs/dbraw/zinc/34/78/23/552347823.db2.gz NAQGWORPMXPDGL-GOSISDBHSA-N 1 2 548.694 4.578 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnnn1-c1ccccc1)C[N@H+](Cc1ccccc1)CC2 ZINC000003303887 552347753 /nfs/dbraw/zinc/34/77/53/552347753.db2.gz NAQGWORPMXPDGL-SFHVURJKSA-N 1 2 548.694 4.578 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnnn1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000003303887 552347749 /nfs/dbraw/zinc/34/77/49/552347749.db2.gz NAQGWORPMXPDGL-SFHVURJKSA-N 1 2 548.694 4.578 50 0 KJAALO COc1ccc(CNC(=O)CSc2nnc([C@H](C)[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000003325998 552357039 /nfs/dbraw/zinc/35/70/39/552357039.db2.gz YLGREXVHBOLNKW-SFHVURJKSA-N 1 2 500.068 4.885 50 0 KJAALO COc1ccc(CNC(=O)CSc2nnc([C@@H](C)[NH+]3CCCCC3)n2-c2ccc(Cl)cc2)cc1 ZINC000003326000 552357026 /nfs/dbraw/zinc/35/70/26/552357026.db2.gz YLGREXVHBOLNKW-GOSISDBHSA-N 1 2 500.068 4.885 50 0 KJAALO O=c1cc(CSc2nnc(C[NH+]3CCCCC3)n2Cc2ccccc2)nc2sc3ccccc3n21 ZINC000003327128 552357395 /nfs/dbraw/zinc/35/73/95/552357395.db2.gz YFRGGSLVVIRVKF-UHFFFAOYSA-N 1 2 502.669 4.827 50 0 KJAALO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003405442 552380970 /nfs/dbraw/zinc/38/09/70/552380970.db2.gz XSXIZUADDFLLMA-UHFFFAOYSA-N 1 2 517.076 4.786 50 0 KJAALO C[NH+](C)[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 ZINC000003421835 552383674 /nfs/dbraw/zinc/38/36/74/552383674.db2.gz OYEIXGQQHGMEFA-AWEZNQCLSA-N 1 2 504.486 4.950 50 0 KJAALO CN1C(=O)/C(=C\c2ccccc2F)Sc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc21 ZINC000003588390 552392016 /nfs/dbraw/zinc/39/20/16/552392016.db2.gz XUIWXYNIJWNCBR-JVWAILMASA-N 1 2 531.609 4.622 50 0 KJAALO Cc1cc(N2CCN(c3ncccn3)CC2)[nH+]c2ccc(NC(=O)Cc3ccccc3Br)cc12 ZINC000003650081 552401580 /nfs/dbraw/zinc/40/15/80/552401580.db2.gz FVJOVYRGRZTSCT-UHFFFAOYSA-N 1 2 517.431 4.604 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000003657593 552405513 /nfs/dbraw/zinc/40/55/13/552405513.db2.gz NSEDWHZEQABDRP-IZLXSDGUSA-N 1 2 503.618 4.786 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000003657593 552405509 /nfs/dbraw/zinc/40/55/09/552405509.db2.gz NSEDWHZEQABDRP-IZLXSDGUSA-N 1 2 503.618 4.786 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1Br ZINC000003766859 552414858 /nfs/dbraw/zinc/41/48/58/552414858.db2.gz MOZJCYOXVGGENF-JJIBRWJFSA-N 1 2 503.400 4.776 50 0 KJAALO Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC[NH+](Cc3ccccc3)CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000004016393 552427631 /nfs/dbraw/zinc/42/76/31/552427631.db2.gz OZWGNPVYVRIYRI-UHFFFAOYSA-N 1 2 724.971 4.500 50 0 KJAALO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 ZINC000004122953 552441698 /nfs/dbraw/zinc/44/16/98/552441698.db2.gz KBTFZWYHZHULDT-UHFFFAOYSA-N 1 2 518.643 4.719 50 0 KJAALO FC(F)(F)COc1nc(N(c2ccccc2)c2ccccc2)nc(N2CC[NH+](Cn3nnc4ccccc43)CC2)n1 ZINC000004398466 552458724 /nfs/dbraw/zinc/45/87/24/552458724.db2.gz AZAAWFGCXMXPIG-UHFFFAOYSA-N 1 2 561.572 4.807 50 0 KJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000004786731 552482099 /nfs/dbraw/zinc/48/20/99/552482099.db2.gz QCXPXMKGFCNOBG-DEOSSOPVSA-N 1 2 500.555 4.998 50 0 KJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000004786737 552482185 /nfs/dbraw/zinc/48/21/85/552482185.db2.gz QCXPXMKGFCNOBG-XMMPIXPASA-N 1 2 500.555 4.998 50 0 KJAALO CC1=C(C(=O)N2CCOCC2)[C@H](c2cc(Br)ccc2OC(F)F)n2c([nH+]c3ccccc32)N1 ZINC000004786812 552482192 /nfs/dbraw/zinc/48/21/92/552482192.db2.gz RRBZTJZWXGPISH-FQEVSTJZSA-N 1 2 519.346 4.548 50 0 KJAALO CC1=C(C(=O)N2CCOCC2)[C@@H](c2cc(Br)ccc2OC(F)F)n2c([nH+]c3ccccc32)N1 ZINC000004786816 552482062 /nfs/dbraw/zinc/48/20/62/552482062.db2.gz RRBZTJZWXGPISH-HXUWFJFHSA-N 1 2 519.346 4.548 50 0 KJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004787105 552482045 /nfs/dbraw/zinc/48/20/45/552482045.db2.gz YGAXXORAMRKBIZ-VWLOTQADSA-N 1 2 500.555 4.998 50 0 KJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000004787111 552482143 /nfs/dbraw/zinc/48/21/43/552482143.db2.gz YGAXXORAMRKBIZ-RUZDIDTESA-N 1 2 500.555 4.998 50 0 KJAALO COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)CC1 ZINC000004788002 552482468 /nfs/dbraw/zinc/48/24/68/552482468.db2.gz RLXKQMHQIUCUCC-UHFFFAOYSA-N 1 2 515.658 4.610 50 0 KJAALO CC(=O)c1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4[nH+]c(N5CCCCC5)cc(C)c4c3)CC2)cc1 ZINC000004788038 552482735 /nfs/dbraw/zinc/48/27/35/552482735.db2.gz ROARTUYVMXIEOI-UHFFFAOYSA-N 1 2 527.669 4.804 50 0 KJAALO COc1ccccc1N1CCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)CC1 ZINC000004788042 552482705 /nfs/dbraw/zinc/48/27/05/552482705.db2.gz CLEHYPXGJPQROT-UHFFFAOYSA-N 1 2 529.685 4.856 50 0 KJAALO Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCN(c4ccccc4F)CC3)cc12 ZINC000004788047 552482626 /nfs/dbraw/zinc/48/26/26/552482626.db2.gz JASJICODROELOK-UHFFFAOYSA-N 1 2 517.649 4.986 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1cccc(C)c1 ZINC000004790582 552483634 /nfs/dbraw/zinc/48/36/34/552483634.db2.gz WDANRQSFIBKQSZ-LOYHVIPDSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1cccc(C)c1 ZINC000004790582 552483632 /nfs/dbraw/zinc/48/36/32/552483632.db2.gz WDANRQSFIBKQSZ-LOYHVIPDSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1cccc(C)c1 ZINC000004790585 552483655 /nfs/dbraw/zinc/48/36/55/552483655.db2.gz WDANRQSFIBKQSZ-XZWHSSHBSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1cccc(C)c1 ZINC000004790585 552483653 /nfs/dbraw/zinc/48/36/53/552483653.db2.gz WDANRQSFIBKQSZ-XZWHSSHBSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1ccccc1 ZINC000004790588 552483666 /nfs/dbraw/zinc/48/36/66/552483666.db2.gz JOLIJXLIYLKNGF-FQLXRVMXSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1ccccc1 ZINC000004790588 552483665 /nfs/dbraw/zinc/48/36/65/552483665.db2.gz JOLIJXLIYLKNGF-FQLXRVMXSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1ccccc1 ZINC000004790591 552483659 /nfs/dbraw/zinc/48/36/59/552483659.db2.gz JOLIJXLIYLKNGF-URLMMPGGSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]12)c1ccccc1 ZINC000004790591 552483658 /nfs/dbraw/zinc/48/36/58/552483658.db2.gz JOLIJXLIYLKNGF-URLMMPGGSA-N 1 2 513.638 4.573 50 0 KJAALO COc1ccc(C(=O)N/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000005357804 552499691 /nfs/dbraw/zinc/49/96/91/552499691.db2.gz OQTVSOJPCUSXGS-ULJHMMPZSA-N 1 2 504.974 4.783 50 0 KJAALO CCOC(=O)C1CC[NH+](Cn2c3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3oc2=S)CC1 ZINC000005947890 552515794 /nfs/dbraw/zinc/51/57/94/552515794.db2.gz ICEHTDQJFLBHSF-UHFFFAOYSA-N 1 2 510.037 4.651 50 0 KJAALO COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1C ZINC000006038852 552520981 /nfs/dbraw/zinc/52/09/81/552520981.db2.gz ZMQTYDGPERAXRW-UHFFFAOYSA-N 1 2 538.622 4.978 50 0 biogenic KJAALO COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1OC ZINC000006058804 552521329 /nfs/dbraw/zinc/52/13/29/552521329.db2.gz JUCKAIQRYPDEEF-UHFFFAOYSA-N 1 2 554.621 4.678 50 0 KJAALO COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1 ZINC000006101529 552534411 /nfs/dbraw/zinc/53/44/11/552534411.db2.gz IBFPCZIMFJOHCL-UHFFFAOYSA-N 1 2 524.595 4.669 50 0 KJAALO Cc1cccc2[nH+]c(CSc3nnc(-c4cccc(S(=O)(=O)N5CCCC5)c4)n3-c3ccccc3)cn21 ZINC000006134354 552537101 /nfs/dbraw/zinc/53/71/01/552537101.db2.gz UVKVCMZXFKXCPA-UHFFFAOYSA-N 1 2 530.679 4.967 50 0 KJAALO CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000006146292 552547926 /nfs/dbraw/zinc/54/79/26/552547926.db2.gz CTVDMPOBNSSHCC-UHFFFAOYSA-N 1 2 538.508 4.688 50 0 KJAALO Cc1cccc2[nH+]c(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3[C@@H](C)c3ccccc3)cn21 ZINC000006165986 552556395 /nfs/dbraw/zinc/55/63/95/552556395.db2.gz TVERRAFDYZBKBV-QFIPXVFZSA-N 1 2 574.732 4.824 50 0 KJAALO Cc1cccc2[nH+]c(CSc3nnc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)n3[C@H](C)c3ccccc3)cn21 ZINC000006165987 552556383 /nfs/dbraw/zinc/55/63/83/552556383.db2.gz TVERRAFDYZBKBV-JOCHJYFZSA-N 1 2 574.732 4.824 50 0 KJAALO CCN(CC)C(=O)c1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)cc1 ZINC000006171365 552558581 /nfs/dbraw/zinc/55/85/81/552558581.db2.gz PYFXJUNUEWMIFY-UHFFFAOYSA-N 1 2 572.735 4.767 50 0 KJAALO COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)c1 ZINC000006229281 552571898 /nfs/dbraw/zinc/57/18/98/552571898.db2.gz VIWXKMRVBPBXCX-UHFFFAOYSA-N 1 2 554.621 4.678 50 0 KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2cc1OC ZINC000006238701 552572295 /nfs/dbraw/zinc/57/22/95/552572295.db2.gz CGDHTFHHAXCDDZ-UHFFFAOYSA-N 1 2 551.621 4.619 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl ZINC000008397130 552996381 /nfs/dbraw/zinc/99/63/81/552996381.db2.gz DTHHFTAMWKAUQP-UHFFFAOYSA-N 1 2 527.732 4.848 50 0 KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)cc2s1)NCCOc1ccccc1 ZINC000008438023 553032565 /nfs/dbraw/zinc/03/25/65/553032565.db2.gz VXQGPJJFWZFMCP-UHFFFAOYSA-N 1 2 576.752 4.713 50 0 KJAALO Cc1cc(C)c(NC(=O)CSc2nc3ccc(Nc4nc(N5CCOCC5)[nH+]c(N5CCOCC5)n4)cc3s2)c(C)c1 ZINC000008438211 553033352 /nfs/dbraw/zinc/03/33/52/553033352.db2.gz GUMMGYVJWPVMHD-UHFFFAOYSA-N 1 2 606.778 4.554 50 0 KJAALO O=S(=O)(c1ccc(-c2cs/c(=N\c3ccccc3)n2CCC[NH+]2CCOCC2)cc1)N1CCCCCC1 ZINC000008440414 553037715 /nfs/dbraw/zinc/03/77/15/553037715.db2.gz YRANRTGHLCDGJK-ZIADKAODSA-N 1 2 540.755 4.736 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000008440964 553038987 /nfs/dbraw/zinc/03/89/87/553038987.db2.gz AULMNFPFSFNGIE-LSDHHAIUSA-N 1 2 531.764 4.976 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F ZINC000008440968 553038995 /nfs/dbraw/zinc/03/89/95/553038995.db2.gz AULMNFPFSFNGIE-HUUCEWRRSA-N 1 2 531.764 4.976 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1nn2c(c1Cl)N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000008440973 553038943 /nfs/dbraw/zinc/03/89/43/553038943.db2.gz AULMNFPFSFNGIE-GJZGRUSLSA-N 1 2 531.764 4.976 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F ZINC000008440976 553039212 /nfs/dbraw/zinc/03/92/12/553039212.db2.gz AULMNFPFSFNGIE-CABCVRRESA-N 1 2 531.764 4.976 50 0 KJAALO O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008443642 553047245 /nfs/dbraw/zinc/04/72/45/553047245.db2.gz QBACETVHWJUYPG-UHFFFAOYSA-N 1 2 534.336 4.729 50 0 KJAALO O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008444638 553051019 /nfs/dbraw/zinc/05/10/19/553051019.db2.gz DUIMXRXLLRFQOZ-AEFFLSMTSA-N 1 2 538.368 4.857 50 0 KJAALO O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008444639 553051045 /nfs/dbraw/zinc/05/10/45/553051045.db2.gz DUIMXRXLLRFQOZ-SJLPKXTDSA-N 1 2 538.368 4.857 50 0 KJAALO O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000008444640 553051071 /nfs/dbraw/zinc/05/10/71/553051071.db2.gz DUIMXRXLLRFQOZ-WMZOPIPTSA-N 1 2 538.368 4.857 50 0 KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)Nc1cccc(C(F)(F)F)c1 ZINC000008445208 553053675 /nfs/dbraw/zinc/05/36/75/553053675.db2.gz FJMOXXNGAXDWSX-UHFFFAOYSA-N 1 2 632.694 4.648 50 0 KJAALO CC[N@@H+](CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C)c1cccc(C)c1 ZINC000008595558 553088909 /nfs/dbraw/zinc/08/89/09/553088909.db2.gz AOUFMGFMYUPWMF-UHFFFAOYSA-N 1 2 523.637 4.841 50 0 KJAALO CC[N@H+](CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C)c1cccc(C)c1 ZINC000008595558 553088907 /nfs/dbraw/zinc/08/89/07/553088907.db2.gz AOUFMGFMYUPWMF-UHFFFAOYSA-N 1 2 523.637 4.841 50 0 KJAALO CC[N@@H+](CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C)c1ccccc1 ZINC000008595564 553089187 /nfs/dbraw/zinc/08/91/87/553089187.db2.gz GNLVMTNRMFKGDP-UHFFFAOYSA-N 1 2 509.610 4.532 50 0 KJAALO CC[N@H+](CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C)c1ccccc1 ZINC000008595564 553089184 /nfs/dbraw/zinc/08/91/84/553089184.db2.gz GNLVMTNRMFKGDP-UHFFFAOYSA-N 1 2 509.610 4.532 50 0 KJAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597273 553092445 /nfs/dbraw/zinc/09/24/45/553092445.db2.gz JBMBQKKBXQQURS-UHFFFAOYSA-N 1 2 552.626 4.622 50 0 KJAALO Cc1cccc(C)c1-n1ncc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000008597334 553092494 /nfs/dbraw/zinc/09/24/94/553092494.db2.gz PCXRPBMEMWAFLZ-UHFFFAOYSA-N 1 2 544.700 4.961 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000008597507 553093329 /nfs/dbraw/zinc/09/33/29/553093329.db2.gz ZUNBETAEKBZSBK-UHFFFAOYSA-N 1 2 573.074 4.691 50 0 KJAALO Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597561 553093349 /nfs/dbraw/zinc/09/33/49/553093349.db2.gz FFRSMFMTBZGNDP-UHFFFAOYSA-N 1 2 530.673 4.653 50 0 KJAALO Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597717 553093780 /nfs/dbraw/zinc/09/37/80/553093780.db2.gz OMZGMCRNYYCXIL-UHFFFAOYSA-N 1 2 544.700 4.961 50 0 KJAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000008597872 553094312 /nfs/dbraw/zinc/09/43/12/553094312.db2.gz TWFCWQUEJQUFAB-UHFFFAOYSA-N 1 2 551.091 4.998 50 0 KJAALO Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008598019 553094637 /nfs/dbraw/zinc/09/46/37/553094637.db2.gz HULZMOUXTWVJES-UHFFFAOYSA-N 1 2 566.683 4.654 50 0 KJAALO Cc1ccc(N2C(=O)CS[C@@]23c2ccccc2N(C[NH+]2CCC(C)CC2)C3=O)cc1Br ZINC000008854821 553167053 /nfs/dbraw/zinc/16/70/53/553167053.db2.gz PMGMHJOXXFWBNW-XMMPIXPASA-N 1 2 500.462 4.726 50 0 KJAALO Cc1ccc(N2C(=O)CS[C@]23c2ccccc2N(C[NH+]2CCC(C)CC2)C3=O)cc1Br ZINC000008854822 553167064 /nfs/dbraw/zinc/16/70/64/553167064.db2.gz PMGMHJOXXFWBNW-DEOSSOPVSA-N 1 2 500.462 4.726 50 0 KJAALO CN(C)c1nc(Nc2ccc(OC(F)(F)Cl)cc2)nc(N2CCN(c3cccc(Cl)c3)CC2)[nH+]1 ZINC000008856782 553167764 /nfs/dbraw/zinc/16/77/64/553167764.db2.gz NLRHIHDJZKVFOK-UHFFFAOYSA-N 1 2 510.376 4.829 50 0 KJAALO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](C)C3)cc1 ZINC000008880782 553175953 /nfs/dbraw/zinc/17/59/53/553175953.db2.gz HRXQINSSIDZWSE-UHFFFAOYSA-N 1 2 535.732 4.756 50 0 KJAALO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](C)C3)cc1 ZINC000008880782 553175951 /nfs/dbraw/zinc/17/59/51/553175951.db2.gz HRXQINSSIDZWSE-UHFFFAOYSA-N 1 2 535.732 4.756 50 0 KJAALO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2oc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000009075752 553207513 /nfs/dbraw/zinc/20/75/13/553207513.db2.gz APGIEDSGAWNELW-UHFFFAOYSA-N 1 2 501.377 4.620 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)/C(=C\c1cccc2ccccc12)NC(=O)c1cccc(Br)c1 ZINC000009075787 553207495 /nfs/dbraw/zinc/20/74/95/553207495.db2.gz PMYGUHBKCAJHMQ-JJIBRWJFSA-N 1 2 503.400 4.776 50 0 KJAALO Cc1cccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000009227973 553222840 /nfs/dbraw/zinc/22/28/40/553222840.db2.gz RNQKSPYBUBKNAV-UHFFFAOYSA-N 1 2 530.673 4.653 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009233930 553224804 /nfs/dbraw/zinc/22/48/04/553224804.db2.gz ZKJXRHVXXVVYBF-NDBXHCKUSA-N 1 2 506.002 4.631 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009233930 553224802 /nfs/dbraw/zinc/22/48/02/553224802.db2.gz ZKJXRHVXXVVYBF-NDBXHCKUSA-N 1 2 506.002 4.631 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000009303331 553236355 /nfs/dbraw/zinc/23/63/55/553236355.db2.gz BZEBSKPDAZNBEI-WMVAVLGLSA-N 1 2 500.636 4.859 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000009303331 553236352 /nfs/dbraw/zinc/23/63/52/553236352.db2.gz BZEBSKPDAZNBEI-WMVAVLGLSA-N 1 2 500.636 4.859 50 0 KJAALO CCCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CC[NH+](CC)CC3)cc21 ZINC000009436040 553264353 /nfs/dbraw/zinc/26/43/53/553264353.db2.gz VCQIJLIRCNAWHG-UHFFFAOYSA-N 1 2 506.043 4.569 50 0 KJAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3C[C@H](C)C[C@H](C)C3)n2n1 ZINC000009472124 553270190 /nfs/dbraw/zinc/27/01/90/553270190.db2.gz FAGRCCLWUKNKOC-KDURUIRLSA-N 1 2 513.671 4.775 50 0 KJAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2n1 ZINC000009472128 553270182 /nfs/dbraw/zinc/27/01/82/553270182.db2.gz FAGRCCLWUKNKOC-OALUTQOASA-N 1 2 513.671 4.775 50 0 KJAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2n1 ZINC000009472135 553270155 /nfs/dbraw/zinc/27/01/55/553270155.db2.gz FAGRCCLWUKNKOC-RTBURBONSA-N 1 2 513.671 4.775 50 0 KJAALO Cc1cc(N2CCN(C(=O)[C@H](C)NC(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)[nH+]c2ccccc12 ZINC000009547802 553278364 /nfs/dbraw/zinc/27/83/64/553278364.db2.gz SEZNSTURFDDGAB-NRFANRHFSA-N 1 2 519.605 4.819 50 0 KJAALO CCNc1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3OCC)cc2)n1 ZINC000009572469 553281278 /nfs/dbraw/zinc/28/12/78/553281278.db2.gz VIVYMFGMZACPQM-UHFFFAOYSA-N 1 2 506.426 4.922 50 0 KJAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)[nH+]1 ZINC000009572491 553281391 /nfs/dbraw/zinc/28/13/91/553281391.db2.gz LJWIWQNMHQGNQS-UHFFFAOYSA-N 1 2 517.611 4.958 50 0 KJAALO Cc1ccc(NC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)c(Br)c1 ZINC000009597542 553283915 /nfs/dbraw/zinc/28/39/15/553283915.db2.gz RLONRNDWQGCOIQ-UHFFFAOYSA-N 1 2 511.420 4.808 50 0 KJAALO Cc1cc(Br)ccc1NC(=O)CCC(=O)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000009597548 553283977 /nfs/dbraw/zinc/28/39/77/553283977.db2.gz HJGLKXPSVFWSLA-UHFFFAOYSA-N 1 2 511.420 4.808 50 0 KJAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)cc12 ZINC000009597556 553283925 /nfs/dbraw/zinc/28/39/25/553283925.db2.gz JZOSVKIMRXMNJY-UHFFFAOYSA-N 1 2 500.643 4.580 50 0 KJAALO COc1ccc(CCNC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCCCC4)cc(C)c3c2)cc1OC ZINC000009597994 553284152 /nfs/dbraw/zinc/28/41/52/553284152.db2.gz ZTYHCQPRICOKPD-UHFFFAOYSA-N 1 2 504.631 4.628 50 0 KJAALO CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@H](C)C[C@H](C)C4)cc(C)c3c2)CC1 ZINC000009598385 553284528 /nfs/dbraw/zinc/28/45/28/553284528.db2.gz VFRYHBPPNBBFPH-BGYRXZFFSA-N 1 2 508.663 4.546 50 0 KJAALO CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@@H](C)C[C@H](C)C4)cc(C)c3c2)CC1 ZINC000009598386 553284509 /nfs/dbraw/zinc/28/45/09/553284509.db2.gz VFRYHBPPNBBFPH-PMACEKPBSA-N 1 2 508.663 4.546 50 0 KJAALO CCOC(=O)C1CCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@H](C)C[C@@H](C)C4)cc(C)c3c2)CC1 ZINC000009598387 553284491 /nfs/dbraw/zinc/28/44/91/553284491.db2.gz VFRYHBPPNBBFPH-WOJBJXKFSA-N 1 2 508.663 4.546 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@H](C)C[C@H](C)C4)cc(C)c3c2)C1 ZINC000009598461 553284665 /nfs/dbraw/zinc/28/46/65/553284665.db2.gz WROYMLSXXYBBPE-RZUBCFFCSA-N 1 2 508.663 4.546 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@H](C)C[C@H](C)C4)cc(C)c3c2)C1 ZINC000009598462 553284695 /nfs/dbraw/zinc/28/46/95/553284695.db2.gz WROYMLSXXYBBPE-VWPQPMDRSA-N 1 2 508.663 4.546 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@@H](C)C[C@H](C)C4)cc(C)c3c2)C1 ZINC000009598463 553284703 /nfs/dbraw/zinc/28/47/03/553284703.db2.gz WROYMLSXXYBBPE-JAXLGGSGSA-N 1 2 508.663 4.546 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1cccc(C)c1 ZINC000009676484 553295136 /nfs/dbraw/zinc/29/51/36/553295136.db2.gz ZZXXFRABEWBEDS-LOYHVIPDSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1cccc(C)c1 ZINC000009676484 553295133 /nfs/dbraw/zinc/29/51/33/553295133.db2.gz ZZXXFRABEWBEDS-LOYHVIPDSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1cccc(C)c1 ZINC000009676486 553295144 /nfs/dbraw/zinc/29/51/44/553295144.db2.gz ZZXXFRABEWBEDS-XZWHSSHBSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1cccc(C)c1 ZINC000009676486 553295141 /nfs/dbraw/zinc/29/51/41/553295141.db2.gz ZZXXFRABEWBEDS-XZWHSSHBSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1ccccc1 ZINC000009676510 553295157 /nfs/dbraw/zinc/29/51/57/553295157.db2.gz BOKMQKFWICTEBD-FQLXRVMXSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1ccccc1 ZINC000009676510 553295154 /nfs/dbraw/zinc/29/51/54/553295154.db2.gz BOKMQKFWICTEBD-FQLXRVMXSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1ccccc1 ZINC000009676514 553295183 /nfs/dbraw/zinc/29/51/83/553295183.db2.gz BOKMQKFWICTEBD-URLMMPGGSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12)c1ccccc1 ZINC000009676514 553295182 /nfs/dbraw/zinc/29/51/82/553295182.db2.gz BOKMQKFWICTEBD-URLMMPGGSA-N 1 2 513.638 4.573 50 0 KJAALO Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)c1 ZINC000009692995 553298502 /nfs/dbraw/zinc/29/85/02/553298502.db2.gz GGIPNOIURBRTSO-AJTFRIOCSA-N 1 2 500.668 4.691 50 0 KJAALO Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)c1 ZINC000009692996 553298526 /nfs/dbraw/zinc/29/85/26/553298526.db2.gz GGIPNOIURBRTSO-AMGIVPHBSA-N 1 2 500.668 4.691 50 0 KJAALO Cc1ccc(C)c(CN2c3ccccc3S[C@H]([C@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)c1 ZINC000009692997 553298518 /nfs/dbraw/zinc/29/85/18/553298518.db2.gz GGIPNOIURBRTSO-WXVAWEFUSA-N 1 2 500.668 4.691 50 0 KJAALO Cc1ccc(C)c(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)c1 ZINC000009692998 553298487 /nfs/dbraw/zinc/29/84/87/553298487.db2.gz GGIPNOIURBRTSO-CUNXSJBXSA-N 1 2 500.668 4.691 50 0 KJAALO CC[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)c1cccc(C)c1 ZINC000009693893 553298998 /nfs/dbraw/zinc/29/89/98/553298998.db2.gz IHXRSYFQTNELCB-UHFFFAOYSA-N 1 2 519.461 4.971 50 0 KJAALO CC[N@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)c1cccc(C)c1 ZINC000009693893 553298996 /nfs/dbraw/zinc/29/89/96/553298996.db2.gz IHXRSYFQTNELCB-UHFFFAOYSA-N 1 2 519.461 4.971 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009780719 553307594 /nfs/dbraw/zinc/30/75/94/553307594.db2.gz NSEDWHZEQABDRP-VSGBNLITSA-N 1 2 503.618 4.786 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009780719 553307591 /nfs/dbraw/zinc/30/75/91/553307591.db2.gz NSEDWHZEQABDRP-VSGBNLITSA-N 1 2 503.618 4.786 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009780722 553307526 /nfs/dbraw/zinc/30/75/26/553307526.db2.gz NSEDWHZEQABDRP-WUFINQPMSA-N 1 2 503.618 4.786 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000009780722 553307524 /nfs/dbraw/zinc/30/75/24/553307524.db2.gz NSEDWHZEQABDRP-WUFINQPMSA-N 1 2 503.618 4.786 50 0 KJAALO CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000009834779 553310116 /nfs/dbraw/zinc/31/01/16/553310116.db2.gz BRZHVSSKPGOBLX-UHFFFAOYSA-N 1 2 501.652 4.961 50 0 KJAALO CCCCSC1=[NH+][C@H](c2cccc(Cl)c2)C2(C(=O)NC(=O)NC2=O)[C@H](c2cccc(Cl)c2)N1 ZINC000009942158 553319704 /nfs/dbraw/zinc/31/97/04/553319704.db2.gz ZIEAAVFYSWMQIB-HDICACEKSA-N 1 2 505.427 4.621 50 0 KJAALO CCCCSC1=[NH+][C@@H](c2cccc(Cl)c2)C2(C(=O)NC(=O)NC2=O)[C@H](c2cccc(Cl)c2)N1 ZINC000009942161 553319725 /nfs/dbraw/zinc/31/97/25/553319725.db2.gz ZIEAAVFYSWMQIB-ROUUACIJSA-N 1 2 505.427 4.621 50 0 KJAALO CCCCSC1=[NH+][C@H](c2cccc(Cl)c2)C2(C(=O)NC(=O)NC2=O)[C@@H](c2cccc(Cl)c2)N1 ZINC000009942163 553319734 /nfs/dbraw/zinc/31/97/34/553319734.db2.gz ZIEAAVFYSWMQIB-QZTJIDSGSA-N 1 2 505.427 4.621 50 0 KJAALO C[C@H](Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]c2ccccc21)c1ccccc1 ZINC000009971881 553322921 /nfs/dbraw/zinc/32/29/21/553322921.db2.gz GOJMAGAYRNPWFR-IBGZPJMESA-N 1 2 508.047 4.967 50 0 KJAALO C[C@@H](Nc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH+]c2ccccc21)c1ccccc1 ZINC000009971883 553322940 /nfs/dbraw/zinc/32/29/40/553322940.db2.gz GOJMAGAYRNPWFR-LJQANCHMSA-N 1 2 508.047 4.967 50 0 KJAALO Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2ncnc(N3CCN(c4cccc[nH+]4)CC3)c12 ZINC000010013233 553325762 /nfs/dbraw/zinc/32/57/62/553325762.db2.gz FTKASNQYSHYFOL-UHFFFAOYSA-N 1 2 512.683 4.816 50 0 KJAALO CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000011027574 553338829 /nfs/dbraw/zinc/33/88/29/553338829.db2.gz RHIKFWHBZKKMBS-UHFFFAOYSA-N 1 2 532.691 4.774 50 0 KJAALO CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000011027574 553338827 /nfs/dbraw/zinc/33/88/27/553338827.db2.gz RHIKFWHBZKKMBS-UHFFFAOYSA-N 1 2 532.691 4.774 50 0 KJAALO O=C(COc1ccc(-c2csc3ccccc23)cc1C[NH+]1CCOCC1)NC[C@@H]1COc2ccccc2O1 ZINC000011783648 553342440 /nfs/dbraw/zinc/34/24/40/553342440.db2.gz RJGOGJNGYDWNFL-HSZRJFAPSA-N 1 2 530.646 4.736 50 0 KJAALO O=C(COc1ccc(-c2csc3ccccc23)cc1C[NH+]1CCOCC1)NC[C@H]1COc2ccccc2O1 ZINC000011783649 553342421 /nfs/dbraw/zinc/34/24/21/553342421.db2.gz RJGOGJNGYDWNFL-QHCPKHFHSA-N 1 2 530.646 4.736 50 0 KJAALO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccc(OC2Cc3ccccc3C2)cc1)[C@H]1CCCCNC1=O ZINC000011787872 1066492126 /nfs/dbraw/zinc/49/21/26/1066492126.db2.gz VXZXOVIYYASPTJ-PMERELPUSA-N 1 2 520.633 4.730 50 0 KJAALO Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000011790355 1066492337 /nfs/dbraw/zinc/49/23/37/1066492337.db2.gz HRBFQTJJZDLKJD-RDGATRHJSA-N 1 2 526.081 4.662 50 0 KJAALO Cc1ccnc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](Cc3ccc(Cl)cc3)C2)n1 ZINC000011790355 1066492332 /nfs/dbraw/zinc/49/23/32/1066492332.db2.gz HRBFQTJJZDLKJD-RDGATRHJSA-N 1 2 526.081 4.662 50 0 KJAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000011908930 1066493042 /nfs/dbraw/zinc/49/30/42/1066493042.db2.gz BMPNXOBVMFABOW-NDEPHWFRSA-N 1 2 516.642 4.678 50 0 KJAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000011908930 1066493037 /nfs/dbraw/zinc/49/30/37/1066493037.db2.gz BMPNXOBVMFABOW-NDEPHWFRSA-N 1 2 516.642 4.678 50 0 KJAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000011908931 1066493062 /nfs/dbraw/zinc/49/30/62/1066493062.db2.gz BMPNXOBVMFABOW-MUUNZHRXSA-N 1 2 516.642 4.678 50 0 KJAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000011908931 1066493059 /nfs/dbraw/zinc/49/30/59/1066493059.db2.gz BMPNXOBVMFABOW-MUUNZHRXSA-N 1 2 516.642 4.678 50 0 KJAALO CN(Cc1cscn1)Cc1cccc(OCC[NH+]2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000012036262 1066493589 /nfs/dbraw/zinc/49/35/89/1066493589.db2.gz BBWCDPWCPJIPBN-UHFFFAOYSA-N 1 2 543.737 4.972 50 0 KJAALO C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4cccn4-c4nccs4)CC3)c2C1=O ZINC000012148949 1066493812 /nfs/dbraw/zinc/49/38/12/1066493812.db2.gz SHAGOKUSMOHSOU-SFHVURJKSA-N 1 2 503.653 4.675 50 0 KJAALO C[C@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4cccn4-c4nccs4)CC3)c2C1=O ZINC000012148950 1066493757 /nfs/dbraw/zinc/49/37/57/1066493757.db2.gz SHAGOKUSMOHSOU-GOSISDBHSA-N 1 2 503.653 4.675 50 0 KJAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)c1 ZINC000012166952 1066494020 /nfs/dbraw/zinc/49/40/20/1066494020.db2.gz FVVMOKBJACGCMP-XMMPIXPASA-N 1 2 518.658 4.944 50 0 KJAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)c1 ZINC000012166952 1066494014 /nfs/dbraw/zinc/49/40/14/1066494014.db2.gz FVVMOKBJACGCMP-XMMPIXPASA-N 1 2 518.658 4.944 50 0 KJAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)c1 ZINC000012166960 1066494038 /nfs/dbraw/zinc/49/40/38/1066494038.db2.gz FVVMOKBJACGCMP-DEOSSOPVSA-N 1 2 518.658 4.944 50 0 KJAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)c1 ZINC000012166960 1066494034 /nfs/dbraw/zinc/49/40/34/1066494034.db2.gz FVVMOKBJACGCMP-DEOSSOPVSA-N 1 2 518.658 4.944 50 0 KJAALO Cc1cc(C)n(CCC(=O)N(Cc2ccco2)Cc2cc3cc4c(cc3[nH+]c2N2CCOCC2)CCC4)n1 ZINC000012217912 553354286 /nfs/dbraw/zinc/35/42/86/553354286.db2.gz LUCPRSNEOACMGQ-UHFFFAOYSA-N 1 2 513.642 4.586 50 0 KJAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000012242497 553354591 /nfs/dbraw/zinc/35/45/91/553354591.db2.gz FEFVWBTWDMAFQL-RDGATRHJSA-N 1 2 508.594 4.673 50 0 KJAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3ccc(F)c(F)c3)C2)cc1 ZINC000012242497 553354589 /nfs/dbraw/zinc/35/45/89/553354589.db2.gz FEFVWBTWDMAFQL-RDGATRHJSA-N 1 2 508.594 4.673 50 0 KJAALO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](Cc5cccc(C(F)(F)F)c5)CC4)c3C2=O)cc1 ZINC000012246776 1066494627 /nfs/dbraw/zinc/49/46/27/1066494627.db2.gz QUOAORKLTGDWHI-UHFFFAOYSA-N 1 2 509.528 4.832 50 0 KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CSc3ccccn3)c2cc1OC ZINC000012419774 553365654 /nfs/dbraw/zinc/36/56/54/553365654.db2.gz LVYVNJMVUYFGES-UHFFFAOYSA-N 1 2 505.596 4.986 50 0 KJAALO Cc1oc2cc(OC[C@@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000012499694 553382212 /nfs/dbraw/zinc/38/22/12/553382212.db2.gz OGGAUCPNFAOIHN-DEOSSOPVSA-N 1 2 506.549 4.609 50 0 KJAALO Cc1oc2cc(OC[C@H](O)C[NH+]3CCN(c4ccc(F)cc4)CC3)ccc2c(=O)c1-c1ccc(F)cc1 ZINC000012499701 553382238 /nfs/dbraw/zinc/38/22/38/553382238.db2.gz OGGAUCPNFAOIHN-XMMPIXPASA-N 1 2 506.549 4.609 50 0 KJAALO Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)n3CCC[NH+]3CCOCC3)c2cc1C(C)C ZINC000012539136 553388413 /nfs/dbraw/zinc/38/84/13/553388413.db2.gz GJDAXEDOMSPCBK-UHFFFAOYSA-N 1 2 519.667 4.949 50 0 KJAALO O=C(c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012563113 553395311 /nfs/dbraw/zinc/39/53/11/553395311.db2.gz MDVBXNOMLPTFAC-QPJJXVBHSA-N 1 2 514.022 4.751 50 0 KJAALO O=S(=O)(c1cccc(-c2nn(C[NH+]3CCC(Cc4ccccc4)CC3)c(=S)o2)c1)N1CCCCC1 ZINC000012604324 553402185 /nfs/dbraw/zinc/40/21/85/553402185.db2.gz LSOFBPBRQYEJLZ-UHFFFAOYSA-N 1 2 512.701 4.959 50 0 KJAALO Cc1ccc(=O)n([C@H](C(=O)c2ccc(F)cc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000012630209 553405463 /nfs/dbraw/zinc/40/54/63/553405463.db2.gz QJCDINXVCCTSJI-SSEXGKCCSA-N 1 2 523.608 4.654 50 0 KJAALO CCOC(=O)C=C(NC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]N(C)c1ncc(C(F)(F)F)cc1Cl ZINC000012858896 553422654 /nfs/dbraw/zinc/42/26/54/553422654.db2.gz RHDBYTKXUGEXNB-DHDCSXOGSA-N 1 2 525.837 4.940 50 0 KJAALO COc1ccccc1N1CC[NH+](Cc2nc3c(s2)CCc2c-3ccn2S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012955037 553429356 /nfs/dbraw/zinc/42/93/56/553429356.db2.gz PFAUZMPQAYPAJU-UHFFFAOYSA-N 1 2 534.707 4.586 50 0 KJAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(C)C(c3ccccc3)c3ccccc3)c2)CC1 ZINC000012998538 553431654 /nfs/dbraw/zinc/43/16/54/553431654.db2.gz MSUOVUHPKPAKSX-UHFFFAOYSA-N 1 2 512.075 4.528 50 0 KJAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)CC1 ZINC000013096849 553446485 /nfs/dbraw/zinc/44/64/85/553446485.db2.gz UWKQXVXKVYMRLK-UHFFFAOYSA-N 1 2 500.020 4.711 50 0 KJAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nc(-c4ccc(C)c(C)c4)cs3)c2)CC1 ZINC000013109583 553448082 /nfs/dbraw/zinc/44/80/82/553448082.db2.gz AYYAJVSGPFCKDF-UHFFFAOYSA-N 1 2 519.092 4.659 50 0 KJAALO Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013592611 553477196 /nfs/dbraw/zinc/47/71/96/553477196.db2.gz UAYDXQGAYOBHAF-UHFFFAOYSA-N 1 2 504.533 4.562 50 0 KJAALO Cc1c2cc(Cl)c(O)cc2oc(=O)c1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013606848 553477425 /nfs/dbraw/zinc/47/74/25/553477425.db2.gz KVNIQVWQYQAFPW-UHFFFAOYSA-N 1 2 502.998 4.937 50 0 KJAALO COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)Nc4ccc(C[NH+]5CCOCC5)cc4)ccc32)cc1 ZINC000013607210 553477537 /nfs/dbraw/zinc/47/75/37/553477537.db2.gz VGYVCFBXMVEUFW-FQEVSTJZSA-N 1 2 514.578 4.707 50 0 biogenic KJAALO Cc1c(O)ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(=O)oc12 ZINC000013624081 553478303 /nfs/dbraw/zinc/47/83/03/553478303.db2.gz UQFXXEHHNACKHM-UHFFFAOYSA-N 1 2 518.560 4.870 50 0 KJAALO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000013683025 553484933 /nfs/dbraw/zinc/48/49/33/553484933.db2.gz OGLVYALPLFPIMI-UHFFFAOYSA-N 1 2 503.141 4.682 50 0 KJAALO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC000013683025 553484932 /nfs/dbraw/zinc/48/49/32/553484932.db2.gz OGLVYALPLFPIMI-UHFFFAOYSA-N 1 2 503.141 4.682 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000013769213 553489220 /nfs/dbraw/zinc/48/92/20/553489220.db2.gz RHERRZJDVNWUSM-AHCMPFEKSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000013769213 553489219 /nfs/dbraw/zinc/48/92/19/553489219.db2.gz RHERRZJDVNWUSM-AHCMPFEKSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO Cc1ccn([C@H](C(=O)c2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c1 ZINC000013880102 553493871 /nfs/dbraw/zinc/49/38/71/553493871.db2.gz FECJJHVEZVBYSL-SSEXGKCCSA-N 1 2 505.618 4.515 50 0 KJAALO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)c1ccco1 ZINC000014010424 553499275 /nfs/dbraw/zinc/49/92/75/553499275.db2.gz WXRLGJSWPAVQHE-UHFFFAOYSA-N 1 2 501.608 4.628 50 0 KJAALO CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000014022793 553499506 /nfs/dbraw/zinc/49/95/06/553499506.db2.gz PXSUBJNDNSVTIU-UHFFFAOYSA-N 1 2 528.074 4.522 50 0 KJAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000014139261 553502973 /nfs/dbraw/zinc/50/29/73/553502973.db2.gz XTOVEBYBWQFOBU-HSZRJFAPSA-N 1 2 508.692 4.552 50 0 KJAALO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000014139262 553503044 /nfs/dbraw/zinc/50/30/44/553503044.db2.gz XTOVEBYBWQFOBU-QHCPKHFHSA-N 1 2 508.692 4.552 50 0 KJAALO Cc1[nH]c2ccc(C(=O)N3CCCC[C@@H]3CCOc3ccc(C[NH+]4CCN(C=O)CC4)cc3)cc2c1C ZINC000014880480 553520732 /nfs/dbraw/zinc/52/07/32/553520732.db2.gz BCCWKJNGJVNUGK-AREMUKBSSA-N 1 2 502.659 4.523 50 0 KJAALO Cc1[nH]c2ccc(C(=O)N3CCCC[C@H]3CCOc3ccc(C[NH+]4CCN(C=O)CC4)cc3)cc2c1C ZINC000014880483 553520713 /nfs/dbraw/zinc/52/07/13/553520713.db2.gz BCCWKJNGJVNUGK-SANMLTNESA-N 1 2 502.659 4.523 50 0 KJAALO O=C(c1ccc(N2CCCCC2)cc1)N(Cc1cccc(OCC[NH+]2CCOCC2)c1)Cc1ccccn1 ZINC000014882310 1066495375 /nfs/dbraw/zinc/49/53/75/1066495375.db2.gz FZMJTYJIQBGULC-UHFFFAOYSA-N 1 2 514.670 4.626 50 0 KJAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(C(=O)c4cccc5c(C)c(C)[nH]c54)C3)cc2)CC1 ZINC000014969759 553522913 /nfs/dbraw/zinc/52/29/13/553522913.db2.gz AWDBWBHBJCSLJM-RUZDIDTESA-N 1 2 532.685 4.990 50 0 KJAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(C(=O)c4cccc5c(C)c(C)[nH]c54)C3)cc2)CC1 ZINC000014969764 553522941 /nfs/dbraw/zinc/52/29/41/553522941.db2.gz AWDBWBHBJCSLJM-VWLOTQADSA-N 1 2 532.685 4.990 50 0 KJAALO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3cccc(C(F)(F)F)c3)C4=O)CC2)cc1O ZINC000014976156 1067160906 /nfs/dbraw/zinc/16/09/06/1067160906.db2.gz QIDGSZZGOMJYFT-UHFFFAOYSA-N 1 2 525.527 4.538 50 0 KJAALO COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)[nH+]c2c1 ZINC000014979378 553523135 /nfs/dbraw/zinc/52/31/35/553523135.db2.gz SADGLJJOHLWXON-QFIPXVFZSA-N 1 2 529.559 4.920 50 0 KJAALO COc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3C(F)(F)F)c(N3CCOCC3)[nH+]c2c1 ZINC000014979381 553523154 /nfs/dbraw/zinc/52/31/54/553523154.db2.gz SADGLJJOHLWXON-JOCHJYFZSA-N 1 2 529.559 4.920 50 0 KJAALO O=C(c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@@H](CO)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014984382 553523471 /nfs/dbraw/zinc/52/34/71/553523471.db2.gz NDLOVZIRBSPVRZ-JJZPWCRDSA-N 1 2 514.645 4.568 50 0 KJAALO O=C(c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@H](CO)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000014984384 553523609 /nfs/dbraw/zinc/52/36/09/553523609.db2.gz NDLOVZIRBSPVRZ-HATBAZKYSA-N 1 2 514.645 4.568 50 0 KJAALO O=C(COc1ccc(-c2csc3ccccc32)cc1C[NH+]1CCOCC1)N(CCO)Cc1ccccc1 ZINC000014988374 553523850 /nfs/dbraw/zinc/52/38/50/553523850.db2.gz LNXYMKBTTVCPHW-UHFFFAOYSA-N 1 2 516.663 4.800 50 0 KJAALO COCc1c(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000014991461 553524207 /nfs/dbraw/zinc/52/42/07/553524207.db2.gz BCRYJWDKWLQTTI-YRNVUSSQSA-N 1 2 520.073 4.670 50 0 KJAALO Cc1cc(-c2ccc(OCC(=O)N[C@H](C)c3nccs3)c(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000014999866 553524891 /nfs/dbraw/zinc/52/48/91/553524891.db2.gz ZOEJAZXQWBLRJO-HXUWFJFHSA-N 1 2 502.640 4.755 50 0 KJAALO Cc1cc(-c2ccc(OCC(=O)N[C@@H](C)c3nccs3)c(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000014999870 553524969 /nfs/dbraw/zinc/52/49/69/553524969.db2.gz ZOEJAZXQWBLRJO-FQEVSTJZSA-N 1 2 502.640 4.755 50 0 KJAALO O=C1c2cccc(N3CC[NH+](Cc4c(F)cccc4F)CC3)c2C(=O)N1Cc1nc2ccccc2s1 ZINC000015004523 553525104 /nfs/dbraw/zinc/52/51/04/553525104.db2.gz GIAUEPLYGXYUMS-UHFFFAOYSA-N 1 2 504.562 4.693 50 0 KJAALO Cc1csc(CN2C(=O)c3cccc(N4CC[NH+](Cc5cccc(C(F)(F)F)c5)CC4)c3C2=O)n1 ZINC000015066741 553527155 /nfs/dbraw/zinc/52/71/55/553527155.db2.gz BAMZVVDWMDMMPD-UHFFFAOYSA-N 1 2 500.546 4.589 50 0 KJAALO Cc1[nH]c2c(cccc2C(=O)N2CC[NH+](CCOc3cccc(CN(C)Cc4cscn4)c3)CC2)c1C ZINC000015071932 553527276 /nfs/dbraw/zinc/52/72/76/553527276.db2.gz UPAYRSMWSSMDHV-UHFFFAOYSA-N 1 2 517.699 4.710 50 0 KJAALO COc1ccc(OCC(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1 ZINC000015304461 553531080 /nfs/dbraw/zinc/53/10/80/553531080.db2.gz KOBLCNZILDQXFU-UHFFFAOYSA-N 1 2 518.566 4.886 50 0 KJAALO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015317966 553531514 /nfs/dbraw/zinc/53/15/14/553531514.db2.gz QNDFKFUZJNLKFJ-UHFFFAOYSA-N 1 2 518.664 4.779 50 0 KJAALO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015317966 553531513 /nfs/dbraw/zinc/53/15/13/553531513.db2.gz QNDFKFUZJNLKFJ-UHFFFAOYSA-N 1 2 518.664 4.779 50 0 KJAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880216 553539996 /nfs/dbraw/zinc/53/99/96/553539996.db2.gz JMYKARYCRIBEAZ-UHFFFAOYSA-N 1 2 512.701 4.764 50 0 KJAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880216 553539994 /nfs/dbraw/zinc/53/99/94/553539994.db2.gz JMYKARYCRIBEAZ-UHFFFAOYSA-N 1 2 512.701 4.764 50 0 KJAALO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880228 553539982 /nfs/dbraw/zinc/53/99/82/553539982.db2.gz ZGFXRPXGOMTDIG-LJQANCHMSA-N 1 2 510.685 4.517 50 0 KJAALO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880228 553539981 /nfs/dbraw/zinc/53/99/81/553539981.db2.gz ZGFXRPXGOMTDIG-LJQANCHMSA-N 1 2 510.685 4.517 50 0 KJAALO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880229 553539949 /nfs/dbraw/zinc/53/99/49/553539949.db2.gz ZGFXRPXGOMTDIG-IBGZPJMESA-N 1 2 510.685 4.517 50 0 KJAALO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880229 553539948 /nfs/dbraw/zinc/53/99/48/553539948.db2.gz ZGFXRPXGOMTDIG-IBGZPJMESA-N 1 2 510.685 4.517 50 0 KJAALO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880236 553540011 /nfs/dbraw/zinc/54/00/11/553540011.db2.gz QYSFUJGMNNVWLA-UHFFFAOYSA-N 1 2 512.701 4.764 50 0 KJAALO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880236 553540010 /nfs/dbraw/zinc/54/00/10/553540010.db2.gz QYSFUJGMNNVWLA-UHFFFAOYSA-N 1 2 512.701 4.764 50 0 KJAALO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880237 553540007 /nfs/dbraw/zinc/54/00/07/553540007.db2.gz ZCDFMAWFLYCMEQ-UHFFFAOYSA-N 1 2 524.712 4.907 50 0 KJAALO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880237 553540006 /nfs/dbraw/zinc/54/00/06/553540006.db2.gz ZCDFMAWFLYCMEQ-UHFFFAOYSA-N 1 2 524.712 4.907 50 0 KJAALO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880238 553539890 /nfs/dbraw/zinc/53/98/90/553539890.db2.gz MCZWPXVLJTZXNA-JOCHJYFZSA-N 1 2 524.712 4.907 50 0 KJAALO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880238 553539887 /nfs/dbraw/zinc/53/98/87/553539887.db2.gz MCZWPXVLJTZXNA-JOCHJYFZSA-N 1 2 524.712 4.907 50 0 KJAALO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000015880239 553539839 /nfs/dbraw/zinc/53/98/39/553539839.db2.gz MCZWPXVLJTZXNA-QFIPXVFZSA-N 1 2 524.712 4.907 50 0 KJAALO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000015880239 553539836 /nfs/dbraw/zinc/53/98/36/553539836.db2.gz MCZWPXVLJTZXNA-QFIPXVFZSA-N 1 2 524.712 4.907 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015936835 553543093 /nfs/dbraw/zinc/54/30/93/553543093.db2.gz NYPVFMMCIDJGCG-DIBXZPPDSA-N 1 2 517.626 4.568 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000015936837 553543101 /nfs/dbraw/zinc/54/31/01/553543101.db2.gz WENVSAFLUBBRLP-DIBXZPPDSA-N 1 2 517.626 4.568 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[NH+]3CCCCC3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946148 553544374 /nfs/dbraw/zinc/54/43/74/553544374.db2.gz YNRYIKNHRHCVEF-UHFFFAOYSA-N 1 2 505.040 4.593 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946150 553544426 /nfs/dbraw/zinc/54/44/26/553544426.db2.gz IXCCBQWCZCBQHE-MRXNPFEDSA-N 1 2 519.067 4.839 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946150 553544424 /nfs/dbraw/zinc/54/44/24/553544424.db2.gz IXCCBQWCZCBQHE-MRXNPFEDSA-N 1 2 519.067 4.839 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@H+]3CCC[C@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946152 553544442 /nfs/dbraw/zinc/54/44/42/553544442.db2.gz IXCCBQWCZCBQHE-INIZCTEOSA-N 1 2 519.067 4.839 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@@H+]3CCC[C@H](C)C3)c2C(=O)Nc2cccc(Cl)c2)C1 ZINC000015946152 553544441 /nfs/dbraw/zinc/54/44/41/553544441.db2.gz IXCCBQWCZCBQHE-INIZCTEOSA-N 1 2 519.067 4.839 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015990416 553549430 /nfs/dbraw/zinc/54/94/30/553549430.db2.gz VVNDTHVSNPMBLA-QUMGSSFMSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015990416 553549428 /nfs/dbraw/zinc/54/94/28/553549428.db2.gz VVNDTHVSNPMBLA-QUMGSSFMSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015996897 553549449 /nfs/dbraw/zinc/54/94/49/553549449.db2.gz REQIYZZZVKWZGF-LIONHTAISA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015996897 553549446 /nfs/dbraw/zinc/54/94/46/553549446.db2.gz REQIYZZZVKWZGF-LIONHTAISA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016000967 553549900 /nfs/dbraw/zinc/54/99/00/553549900.db2.gz MKKQYJCEOADSAI-LIONHTAISA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016000967 553549899 /nfs/dbraw/zinc/54/98/99/553549899.db2.gz MKKQYJCEOADSAI-LIONHTAISA-N 1 2 517.944 4.642 50 0 KJAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016037997 553552595 /nfs/dbraw/zinc/55/25/95/553552595.db2.gz HSLQSUSSRCHAPT-QUMGSSFMSA-N 1 2 511.965 4.697 50 0 KJAALO CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016037997 553552594 /nfs/dbraw/zinc/55/25/94/553552594.db2.gz HSLQSUSSRCHAPT-QUMGSSFMSA-N 1 2 511.965 4.697 50 0 KJAALO CC(C)CN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[nH]c2C(C)C)=C([n+]2ccccc2)C1=O ZINC000016570852 553567683 /nfs/dbraw/zinc/56/76/83/553567683.db2.gz XMXJQRCRBKXQCE-UHFFFAOYSA-O 1 2 500.406 4.689 50 0 KJAALO CCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2cccc(C)c2)C1=O ZINC000016570910 553567738 /nfs/dbraw/zinc/56/77/38/553567738.db2.gz KGQIEWKGLHYXQQ-UHFFFAOYSA-O 1 2 520.396 4.985 50 0 KJAALO Cc1ccc[n+](C2=C(c3c(=O)n(-c4ccc(Cl)c(Cl)c4)[nH]c3C(C)C)C(=O)N(CC(C)C)C2=O)c1 ZINC000016570964 553567989 /nfs/dbraw/zinc/56/79/89/553567989.db2.gz FXMGYKJMIXHKGH-UHFFFAOYSA-O 1 2 514.433 4.997 50 0 KJAALO Cc1ccc[n+](C2=C(c3c(=O)n(-c4ccc(Cl)c(Cl)c4)[nH]c3C(C)C)C(=O)N(C(C)C)C2=O)c1 ZINC000016570975 553567956 /nfs/dbraw/zinc/56/79/56/553567956.db2.gz ZKULWEVHWLGGGY-UHFFFAOYSA-O 1 2 500.406 4.750 50 0 KJAALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(CCC)C1=O ZINC000016571030 553567964 /nfs/dbraw/zinc/56/79/64/553567964.db2.gz OPJBVNOERTVIIE-UHFFFAOYSA-O 1 2 500.406 4.580 50 0 KJAALO CCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[nH]c2C(C)C)=C([n+]2cccc(C)c2)C1=O ZINC000016571031 553567979 /nfs/dbraw/zinc/56/79/79/553567979.db2.gz XDGLZLBPOIPZPV-UHFFFAOYSA-O 1 2 500.406 4.751 50 0 KJAALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(C(C)C)C1=O ZINC000016571068 553567945 /nfs/dbraw/zinc/56/79/45/553567945.db2.gz KGEJTGLMCQRUJE-UHFFFAOYSA-O 1 2 500.406 4.579 50 0 KJAALO CCCc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2ccc(C)cc2)C(=O)N(CCC)C1=O ZINC000016571092 553567952 /nfs/dbraw/zinc/56/79/52/553567952.db2.gz GPCOTNHKAUWSPK-UHFFFAOYSA-O 1 2 500.406 4.580 50 0 KJAALO CCCN1C(=O)C(c2c(=O)n(-c3ccc(Cl)c(Cl)c3)[nH]c2C(C)C)=C([n+]2ccc(C)cc2)C1=O ZINC000016571094 553567926 /nfs/dbraw/zinc/56/79/26/553567926.db2.gz YHADRTYUYSGBDD-UHFFFAOYSA-O 1 2 500.406 4.751 50 0 KJAALO CCCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000016741722 553580024 /nfs/dbraw/zinc/58/00/24/553580024.db2.gz XDCFTZSGYMRMMM-MHZLTWQESA-N 1 2 504.627 4.856 50 0 KJAALO CCCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)c1 ZINC000016741723 553580039 /nfs/dbraw/zinc/58/00/39/553580039.db2.gz XDCFTZSGYMRMMM-HHHXNRCGSA-N 1 2 504.627 4.856 50 0 KJAALO COc1cc(C)c(Br)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016780201 553582092 /nfs/dbraw/zinc/58/20/92/553582092.db2.gz YQEBNECBSNMBFR-UHFFFAOYSA-N 1 2 515.473 4.862 50 0 KJAALO Cc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000016945435 553584483 /nfs/dbraw/zinc/58/44/83/553584483.db2.gz HCGPGENRXNVHNR-UHFFFAOYSA-N 1 2 508.047 4.938 50 0 KJAALO Cc1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000016945977 553584552 /nfs/dbraw/zinc/58/45/52/553584552.db2.gz SFJTYQFNKBLXLC-UHFFFAOYSA-N 1 2 508.047 4.938 50 0 KJAALO Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2)[nH+]1 ZINC000017013815 553586601 /nfs/dbraw/zinc/58/66/01/553586601.db2.gz YUUUDXWYFWMZKS-UHFFFAOYSA-N 1 2 501.612 4.833 50 0 KJAALO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)s1 ZINC000017206638 553590485 /nfs/dbraw/zinc/59/04/85/553590485.db2.gz XYPXGKODIUZTFY-VWLOTQADSA-N 1 2 512.079 4.797 50 0 KJAALO CCCc1nnc(NC(=O)CCC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)s1 ZINC000017206641 553590490 /nfs/dbraw/zinc/59/04/90/553590490.db2.gz XYPXGKODIUZTFY-RUZDIDTESA-N 1 2 512.079 4.797 50 0 KJAALO CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(N(C)C)cc(C)[nH+]2)cc1 ZINC000017315611 553593366 /nfs/dbraw/zinc/59/33/66/553593366.db2.gz BTEPRFFLSMPQOZ-UHFFFAOYSA-N 1 2 506.426 4.557 50 0 KJAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1ccc(COc2ccccc2Br)o1 ZINC000017337752 553593732 /nfs/dbraw/zinc/59/37/32/553593732.db2.gz OFIAUYKFZZZFNN-UHFFFAOYSA-N 1 2 525.403 4.555 50 0 KJAALO O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000017356833 553593904 /nfs/dbraw/zinc/59/39/04/553593904.db2.gz AIVYHUSLKPWLDI-UHFFFAOYSA-N 1 2 531.410 4.746 50 0 KJAALO Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000017434345 553596507 /nfs/dbraw/zinc/59/65/07/553596507.db2.gz CWGAJQMXVYCLRP-FAIXQHPJSA-N 1 2 550.684 4.988 50 0 KJAALO Cc1ccc(C)c(CN2c3cc(C(=O)N4CCN(c5cccc[nH+]5)CC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000017434348 553596559 /nfs/dbraw/zinc/59/65/59/553596559.db2.gz CWGAJQMXVYCLRP-RRHRGVEJSA-N 1 2 550.684 4.988 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000017545525 553597685 /nfs/dbraw/zinc/59/76/85/553597685.db2.gz ZJWPCCAIGWMVOM-UHFFFAOYSA-N 1 2 526.033 4.853 50 0 KJAALO Cc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)c(C)c1 ZINC000018116614 553605001 /nfs/dbraw/zinc/60/50/01/553605001.db2.gz CJKQXBJTSDBZCQ-UHFFFAOYSA-N 1 2 501.656 4.902 50 0 KJAALO O=C([C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018244335 553611106 /nfs/dbraw/zinc/61/11/06/553611106.db2.gz LARXLCIAEUQSRL-JOCHJYFZSA-N 1 2 528.056 4.809 50 0 KJAALO O=C([C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000018244337 553611092 /nfs/dbraw/zinc/61/10/92/553611092.db2.gz LARXLCIAEUQSRL-QFIPXVFZSA-N 1 2 528.056 4.809 50 0 KJAALO CCCOc1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000019367741 553614071 /nfs/dbraw/zinc/61/40/71/553614071.db2.gz LTULUFULYHQBDV-HHHXNRCGSA-N 1 2 519.592 4.793 50 0 KJAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC3c4ccccc4-c4ccccc43)c(=O)[nH]2)CC1 ZINC000019640965 1066372009 /nfs/dbraw/zinc/37/20/09/1066372009.db2.gz JBDPLMDZIAREBA-UHFFFAOYSA-N 1 2 520.633 4.596 50 0 KJAALO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1OC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000019743041 553615853 /nfs/dbraw/zinc/61/58/53/553615853.db2.gz HADSABGGDLYALO-UHFFFAOYSA-N 1 2 527.665 4.710 50 0 KJAALO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000019792474 553616775 /nfs/dbraw/zinc/61/67/75/553616775.db2.gz NHXPWCPRPDWGLG-UHFFFAOYSA-N 1 2 501.446 4.554 50 0 KJAALO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019793579 553616644 /nfs/dbraw/zinc/61/66/44/553616644.db2.gz HCLYJIDICXETJK-UHFFFAOYSA-N 1 2 508.666 4.580 50 0 KJAALO Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019823446 553620719 /nfs/dbraw/zinc/62/07/19/553620719.db2.gz QJCDINXVCCTSJI-PMERELPUSA-N 1 2 523.608 4.654 50 0 KJAALO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc1OC ZINC000019832186 553622949 /nfs/dbraw/zinc/62/29/49/553622949.db2.gz UWDUOLDKFKGQJB-URXFXBBRSA-N 1 2 529.563 4.519 50 0 KJAALO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc1OC ZINC000019832187 553623097 /nfs/dbraw/zinc/62/30/97/553623097.db2.gz UWDUOLDKFKGQJB-QPPBQGQZSA-N 1 2 529.563 4.519 50 0 KJAALO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc1OC ZINC000019832188 553623066 /nfs/dbraw/zinc/62/30/66/553623066.db2.gz UWDUOLDKFKGQJB-XUZZJYLKSA-N 1 2 529.563 4.519 50 0 KJAALO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc1OC ZINC000019832189 553622943 /nfs/dbraw/zinc/62/29/43/553622943.db2.gz UWDUOLDKFKGQJB-ZJSXRUAMSA-N 1 2 529.563 4.519 50 0 KJAALO Cc1ccn([C@@H](C(=O)c2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c1 ZINC000019840740 553623308 /nfs/dbraw/zinc/62/33/08/553623308.db2.gz FECJJHVEZVBYSL-PMERELPUSA-N 1 2 505.618 4.515 50 0 KJAALO Cc1ccc2nc(-c3ccc(NC(=O)CN4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)cc3)sc2c1 ZINC000019849668 553623824 /nfs/dbraw/zinc/62/38/24/553623824.db2.gz UNJZYXYCHQNSHT-UHFFFAOYSA-N 1 2 500.624 4.757 50 0 KJAALO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)cc1OCc1ccccc1 ZINC000019889232 553629920 /nfs/dbraw/zinc/62/99/20/553629920.db2.gz NIERGRBUYHJMCT-UHFFFAOYSA-N 1 2 525.443 4.760 50 0 KJAALO COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000019894381 553632087 /nfs/dbraw/zinc/63/20/87/553632087.db2.gz UAOMXZNGGWKOPB-UHFFFAOYSA-N 1 2 502.562 4.608 50 0 KJAALO O=C1c2cccc3cccc(c32)C(=O)N1CC[NH+]1CCN(C(=S)Nc2cccc(Cl)c2Cl)CC1 ZINC000019938293 553637506 /nfs/dbraw/zinc/63/75/06/553637506.db2.gz YLEAHPBKPTUXTE-UHFFFAOYSA-N 1 2 513.450 4.757 50 0 KJAALO COc1ccc(Br)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019942812 553645781 /nfs/dbraw/zinc/64/57/81/553645781.db2.gz GLIQVEVWCSPZIB-UHFFFAOYSA-N 1 2 501.446 4.554 50 0 KJAALO Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019951943 553647320 /nfs/dbraw/zinc/64/73/20/553647320.db2.gz CCJQWUIVCZNIPC-UHFFFAOYSA-N 1 2 500.020 4.534 50 0 KJAALO Cc1ccc(C(=O)N2CC[NH+]([C@H]3c4cccc5cccc(c45)[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029392 553664171 /nfs/dbraw/zinc/66/41/71/553664171.db2.gz OXKSCZRCMSYMHX-VMPREFPWSA-N 1 2 511.647 4.681 50 0 aggregator KJAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3c4cccc5cccc(c45)[C@@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029393 553664051 /nfs/dbraw/zinc/66/40/51/553664051.db2.gz OXKSCZRCMSYMHX-URLMMPGGSA-N 1 2 511.647 4.681 50 0 aggregator KJAALO Cc1ccc(C(=O)N2CC[NH+]([C@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029395 553664162 /nfs/dbraw/zinc/66/41/62/553664162.db2.gz OXKSCZRCMSYMHX-WDYNHAJCSA-N 1 2 511.647 4.681 50 0 aggregator KJAALO Cc1ccc(C(=O)N2CC[NH+]([C@@H]3c4cccc5cccc(c45)[C@H]3NS(=O)(=O)c3ccccc3)CC2)cc1 ZINC000020029397 553664152 /nfs/dbraw/zinc/66/41/52/553664152.db2.gz OXKSCZRCMSYMHX-FQLXRVMXSA-N 1 2 511.647 4.681 50 0 aggregator KJAALO COc1ccc(CCNc2nc(N3CCCC3)nc(N3CCC(Cc4ccccc4)CC3)[nH+]2)cc1OC ZINC000020058981 553671624 /nfs/dbraw/zinc/67/16/24/553671624.db2.gz YNINKSSVKLCFPC-UHFFFAOYSA-N 1 2 502.663 4.603 50 0 KJAALO COc1ccc(CCNc2nc(N3CCC(Cc4ccccc4)CC3)nc(N3CCCC3)[nH+]2)cc1OC ZINC000020058981 553671620 /nfs/dbraw/zinc/67/16/20/553671620.db2.gz YNINKSSVKLCFPC-UHFFFAOYSA-N 1 2 502.663 4.603 50 0 KJAALO COc1ccc(CNC(=O)CCC(=O)Nc2ccc3[nH+]c(N4CCC(C)CC4)cc(C)c3c2)c(OC)c1 ZINC000020104862 553689153 /nfs/dbraw/zinc/68/91/53/553689153.db2.gz VLLCGFWBQNUPAW-UHFFFAOYSA-N 1 2 504.631 4.832 50 0 KJAALO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000020116115 553697395 /nfs/dbraw/zinc/69/73/95/553697395.db2.gz RUUFAZIEMOCAQG-UGMUEJTRSA-N 1 2 500.687 4.653 50 0 KJAALO CC(C)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000020116117 553697514 /nfs/dbraw/zinc/69/75/14/553697514.db2.gz RUUFAZIEMOCAQG-QHVWKXNMSA-N 1 2 500.687 4.653 50 0 KJAALO COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)N5CC[NH+](C6CCCCC6)CC5)cc4)c3=O)c2c1 ZINC000020131609 553591634 /nfs/dbraw/zinc/59/16/34/553591634.db2.gz FVQVBOQRBUOBGS-UHFFFAOYSA-N 1 2 531.682 4.688 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)CCC(=O)Nc2ccc3[nH+]c(N4C[C@H](C)C[C@@H](C)C4)cc(C)c3c2)C1 ZINC000020138736 553594392 /nfs/dbraw/zinc/59/43/92/553594392.db2.gz WROYMLSXXYBBPE-KCZVDYSFSA-N 1 2 508.663 4.546 50 0 KJAALO Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12 ZINC000020183198 553604899 /nfs/dbraw/zinc/60/48/99/553604899.db2.gz NCWARSKIYMPGCI-UHFFFAOYSA-N 1 2 515.605 4.918 50 0 KJAALO COc1ccc(Br)cc1CNC(=S)Nc1ccc2[nH+]c(N3CCOCC3)cc(C)c2c1 ZINC000020183222 553604974 /nfs/dbraw/zinc/60/49/74/553604974.db2.gz UUZCOKNNVANVPP-UHFFFAOYSA-N 1 2 501.450 4.638 50 0 KJAALO COC(=O)c1sc2cc(NC(=S)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2c1Cl ZINC000020220586 553616105 /nfs/dbraw/zinc/61/61/05/553616105.db2.gz HRXBOPZMPYRTOG-UHFFFAOYSA-N 1 2 504.033 4.585 50 0 KJAALO Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2C)c1-c1ccc(F)cc1 ZINC000020282516 553631289 /nfs/dbraw/zinc/63/12/89/553631289.db2.gz MWLJHMKSCVNSHU-UHFFFAOYSA-N 1 2 501.606 4.864 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020290326 553635013 /nfs/dbraw/zinc/63/50/13/553635013.db2.gz BORQXUNCBKYVHR-UHFFFAOYSA-N 1 2 520.680 4.873 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020290326 553635008 /nfs/dbraw/zinc/63/50/08/553635008.db2.gz BORQXUNCBKYVHR-UHFFFAOYSA-N 1 2 520.680 4.873 50 0 KJAALO C[N@H+]1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020292766 553635380 /nfs/dbraw/zinc/63/53/80/553635380.db2.gz CGPRGPHCXZUEQN-UHFFFAOYSA-N 1 2 525.099 4.540 50 0 KJAALO C[N@@H+]1CCc2c(sc3nc(SCC(=O)NCCc4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c23)C1 ZINC000020292766 553635378 /nfs/dbraw/zinc/63/53/78/553635378.db2.gz CGPRGPHCXZUEQN-UHFFFAOYSA-N 1 2 525.099 4.540 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020324327 553638609 /nfs/dbraw/zinc/63/86/09/553638609.db2.gz FBZJHYUOZWBQQZ-UHFFFAOYSA-N 1 2 506.653 4.565 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020324327 553638607 /nfs/dbraw/zinc/63/86/07/553638607.db2.gz FBZJHYUOZWBQQZ-UHFFFAOYSA-N 1 2 506.653 4.565 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020325311 553638882 /nfs/dbraw/zinc/63/88/82/553638882.db2.gz UMLWNFAIJCMAPB-UHFFFAOYSA-N 1 2 520.680 4.873 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020325311 553638880 /nfs/dbraw/zinc/63/88/80/553638880.db2.gz UMLWNFAIJCMAPB-UHFFFAOYSA-N 1 2 520.680 4.873 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000020326618 553638812 /nfs/dbraw/zinc/63/88/12/553638812.db2.gz ZDIKFQOPSAAACD-UHFFFAOYSA-N 1 2 520.680 4.873 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000020326618 553638811 /nfs/dbraw/zinc/63/88/11/553638811.db2.gz ZDIKFQOPSAAACD-UHFFFAOYSA-N 1 2 520.680 4.873 50 0 KJAALO Cc1sc2nc(SCc3ccc(Br)cc3)n(CCC[NH+]3CCOCC3)c(=O)c2c1C ZINC000020343367 553639963 /nfs/dbraw/zinc/63/99/63/553639963.db2.gz FYQYCKGQAMKXCD-UHFFFAOYSA-N 1 2 508.507 4.852 50 0 KJAALO Cc1sc2nc(SCc3cccc(Br)c3)n(CCC[NH+]3CCOCC3)c(=O)c2c1C ZINC000020343381 553640024 /nfs/dbraw/zinc/64/00/24/553640024.db2.gz DDFUWMCONGCENM-UHFFFAOYSA-N 1 2 508.507 4.852 50 0 KJAALO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000020394143 553645280 /nfs/dbraw/zinc/64/52/80/553645280.db2.gz SFACUKMWNLBLCP-UHFFFAOYSA-N 1 2 500.418 4.668 50 0 KJAALO CCOC(=O)C1CCN(c2ccccc2C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000020421629 553648084 /nfs/dbraw/zinc/64/80/84/553648084.db2.gz RELWAUHBVJHFNT-UHFFFAOYSA-N 1 2 510.988 4.856 50 0 KJAALO COc1ccc(CCNc2nc3sc4c(c3c(=O)n2-c2cccc(Cl)c2)CC[N@H+](C)C4)cc1OC ZINC000020437969 553648566 /nfs/dbraw/zinc/64/85/66/553648566.db2.gz KWHSRONBPRMLGS-UHFFFAOYSA-N 1 2 511.047 4.760 50 0 KJAALO COc1ccc(CCNc2nc3sc4c(c3c(=O)n2-c2cccc(Cl)c2)CC[N@@H+](C)C4)cc1OC ZINC000020437969 553648563 /nfs/dbraw/zinc/64/85/63/553648563.db2.gz KWHSRONBPRMLGS-UHFFFAOYSA-N 1 2 511.047 4.760 50 0 KJAALO O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000020453319 553651950 /nfs/dbraw/zinc/65/19/50/553651950.db2.gz BCWDSDONRQNKQC-RBUXCVQISA-N 1 2 528.672 4.869 50 0 KJAALO O=C(/C=C/c1cccc(F)c1)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000020453321 553651929 /nfs/dbraw/zinc/65/19/29/553651929.db2.gz BCWDSDONRQNKQC-MYLCPLCOSA-N 1 2 528.672 4.869 50 0 KJAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020462080 553656070 /nfs/dbraw/zinc/65/60/70/553656070.db2.gz XSTRPVSRISMEHZ-NDEPHWFRSA-N 1 2 517.029 4.954 50 0 KJAALO COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000020462083 553656143 /nfs/dbraw/zinc/65/61/43/553656143.db2.gz XSTRPVSRISMEHZ-MUUNZHRXSA-N 1 2 517.029 4.954 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000020462157 553656140 /nfs/dbraw/zinc/65/61/40/553656140.db2.gz ZKJXRHVXXVVYBF-LIONHTAISA-N 1 2 506.002 4.631 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000020462157 553656139 /nfs/dbraw/zinc/65/61/39/553656139.db2.gz ZKJXRHVXXVVYBF-LIONHTAISA-N 1 2 506.002 4.631 50 0 KJAALO CSc1nc2c(sc3nc(CC(C)C)c4c(c32)CC(C)(C)OC4)c(NCC[NH+]2CCOCC2)n1 ZINC000020462789 553656432 /nfs/dbraw/zinc/65/64/32/553656432.db2.gz PSEPCTFYLUNVMW-UHFFFAOYSA-N 1 2 501.722 4.755 50 0 KJAALO COc1ccc(CC(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000020464656 553656669 /nfs/dbraw/zinc/65/66/69/553656669.db2.gz OEHCRUQFBFDQIC-UHFFFAOYSA-N 1 2 513.594 4.589 50 0 KJAALO COc1cc(C(=O)Nc2c3ccccc3oc2C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000020464696 553656779 /nfs/dbraw/zinc/65/67/79/553656779.db2.gz MRYIYSDLODCYLG-UHFFFAOYSA-N 1 2 529.593 4.669 50 0 KJAALO COc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1C[NH+]1CCOCC1 ZINC000020572740 553674859 /nfs/dbraw/zinc/67/48/59/553674859.db2.gz RMOVSTJRKYTEOP-QLYXXIJNSA-N 1 2 500.576 4.737 50 0 KJAALO COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)Nc4ccc(C[NH+]5CCOCC5)cc4)ccc32)cc1 ZINC000020573609 553674853 /nfs/dbraw/zinc/67/48/53/553674853.db2.gz VGYVCFBXMVEUFW-HXUWFJFHSA-N 1 2 514.578 4.707 50 0 biogenic KJAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cnn2-c2ccccc2)CC1 ZINC000020575585 553675523 /nfs/dbraw/zinc/67/55/23/553675523.db2.gz WUVOXIOHUIZLFS-UHFFFAOYSA-N 1 2 529.685 4.945 50 0 KJAALO COc1ccc2c(C)c(CC(=O)N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(=O)oc2c1 ZINC000020588604 553676728 /nfs/dbraw/zinc/67/67/28/553676728.db2.gz DOOSEPJPSKKXAA-UHFFFAOYSA-N 1 2 518.560 4.865 50 0 KJAALO COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)Nc4ccc(C[NH+]5CCOCC5)cc4)ccc23)cc1 ZINC000020591817 553676853 /nfs/dbraw/zinc/67/68/53/553676853.db2.gz LTSZSMRSIQOODD-UHFFFAOYSA-N 1 2 514.578 4.627 50 0 biogenic KJAALO O=C(COc1ccc(-c2csc3ccccc23)cc1C[NH+]1CCOCC1)NCc1ccc2c(c1)OCO2 ZINC000020600391 553677301 /nfs/dbraw/zinc/67/73/01/553677301.db2.gz JTGWDVUAIJRQRX-UHFFFAOYSA-N 1 2 516.619 4.824 50 0 KJAALO CC(C)(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000020618429 553681057 /nfs/dbraw/zinc/68/10/57/553681057.db2.gz AEYLPKFIUOFPIF-UHFFFAOYSA-N 1 2 530.694 4.749 50 0 KJAALO Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020622181 553680982 /nfs/dbraw/zinc/68/09/82/553680982.db2.gz UEDOBEROSPLZHQ-UHFFFAOYSA-N 1 2 518.560 4.952 50 0 KJAALO CCc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCC[NH+]2CCOCC2)cc1 ZINC000020640954 553681815 /nfs/dbraw/zinc/68/18/15/553681815.db2.gz ZKYIACYYGSWSTA-UHFFFAOYSA-N 1 2 522.696 4.627 50 0 KJAALO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O ZINC000020644042 553683815 /nfs/dbraw/zinc/68/38/15/553683815.db2.gz XMRAUINIUVAYMS-UHFFFAOYSA-N 1 2 519.070 4.781 50 0 KJAALO C[N@@H+](CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O)Cc1ccccc1 ZINC000020644066 553683796 /nfs/dbraw/zinc/68/37/96/553683796.db2.gz JTMRKLOTJUIIGB-UHFFFAOYSA-N 1 2 507.059 4.639 50 0 KJAALO C[N@H+](CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O)Cc1ccccc1 ZINC000020644066 553683795 /nfs/dbraw/zinc/68/37/95/553683795.db2.gz JTMRKLOTJUIIGB-UHFFFAOYSA-N 1 2 507.059 4.639 50 0 KJAALO CC[N@@H+](CCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)c1cccc(C)c1 ZINC000020644399 553684359 /nfs/dbraw/zinc/68/43/59/553684359.db2.gz GLCMEICRKRZKTI-UHFFFAOYSA-N 1 2 510.660 4.689 50 0 KJAALO CC[N@H+](CCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[nH]c1=S)OCO3)c1cccc(C)c1 ZINC000020644399 553684358 /nfs/dbraw/zinc/68/43/58/553684358.db2.gz GLCMEICRKRZKTI-UHFFFAOYSA-N 1 2 510.660 4.689 50 0 KJAALO CCOc1cc2[nH]c(=S)n(CCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(=O)c2cc1OCC ZINC000020644594 553684713 /nfs/dbraw/zinc/68/47/13/553684713.db2.gz GKPYDGDJPALWPT-UHFFFAOYSA-N 1 2 503.068 4.722 50 0 KJAALO O=C(c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020645618 553684992 /nfs/dbraw/zinc/68/49/92/553684992.db2.gz VOQHGRYONNZIIM-UHFFFAOYSA-N 1 2 505.043 4.719 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000020685107 553688530 /nfs/dbraw/zinc/68/85/30/553688530.db2.gz PHULSWZSBVYBKL-UHFFFAOYSA-N 1 2 508.043 4.714 50 0 KJAALO CC(=O)Nc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1Sc1ccc(C)cc1 ZINC000020685629 553688565 /nfs/dbraw/zinc/68/85/65/553688565.db2.gz CBVIRUAHYPCTQE-UHFFFAOYSA-N 1 2 503.624 4.791 50 0 KJAALO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N2CCCCC2)cc1 ZINC000020725171 553690036 /nfs/dbraw/zinc/69/00/36/553690036.db2.gz BXEXTBHJGQSCPC-UHFFFAOYSA-N 1 2 532.710 4.744 50 0 KJAALO CCOc1ccc2c(c1)[C@H](N(CC[NH+]1CCOCC1)C(=O)Nc1ccc(OC)cc1OC)CC(C)(C)O2 ZINC000020725516 553689961 /nfs/dbraw/zinc/68/99/61/553689961.db2.gz XANUZQAOQJNEMY-XMMPIXPASA-N 1 2 513.635 4.571 50 0 KJAALO CCOc1ccc2c(c1)[C@@H](N(CC[NH+]1CCOCC1)C(=O)Nc1ccc(OC)cc1OC)CC(C)(C)O2 ZINC000020725520 553689923 /nfs/dbraw/zinc/68/99/23/553689923.db2.gz XANUZQAOQJNEMY-DEOSSOPVSA-N 1 2 513.635 4.571 50 0 KJAALO 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O=C(NCCCN1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2Cl)CC1)c1ccc(Cl)cc1Cl ZINC000022790730 553750688 /nfs/dbraw/zinc/75/06/88/553750688.db2.gz FNOLLROFFUMHRE-UHFFFAOYSA-N 1 2 546.326 4.858 50 0 KJAALO O=C(NCCCN1CC[NH+](CCCNC(=O)c2cc(Cl)ccc2Cl)CC1)c1cc(Cl)ccc1Cl ZINC000022790750 553750613 /nfs/dbraw/zinc/75/06/13/553750613.db2.gz LHYXDSDSRMJDRK-UHFFFAOYSA-N 1 2 546.326 4.858 50 0 KJAALO O=C(NCCC[NH+]1CCN(Cc2c(F)cccc2Cl)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 ZINC000022795584 553750593 /nfs/dbraw/zinc/75/05/93/553750593.db2.gz QIMYWIVNLPNRGT-UHFFFAOYSA-N 1 2 532.369 4.737 50 0 KJAALO COc1ccc(/C=C/C(=O)N2CCC[C@@H](COc3ccc(CN4CC[NH+](Cc5cccnc5)CC4)cc3)C2)cc1 ZINC000022853082 553761788 /nfs/dbraw/zinc/76/17/88/553761788.db2.gz NBLDGPTWGLPEBJ-ZBGGEJFGSA-N 1 2 540.708 4.739 50 0 KJAALO COc1ccc(/C=C/C(=O)N2CCC[C@H](COc3ccc(CN4CC[NH+](Cc5cccnc5)CC4)cc3)C2)cc1 ZINC000022853086 553761810 /nfs/dbraw/zinc/76/18/10/553761810.db2.gz NBLDGPTWGLPEBJ-RPIKRSNWSA-N 1 2 540.708 4.739 50 0 KJAALO COc1ccccc1CCC(=O)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000022853138 553761915 /nfs/dbraw/zinc/76/19/15/553761915.db2.gz LLERZYQJGBEDIY-GDLZYMKVSA-N 1 2 542.724 4.658 50 0 KJAALO COc1ccccc1CCC(=O)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000022853141 553761889 /nfs/dbraw/zinc/76/18/89/553761889.db2.gz LLERZYQJGBEDIY-LJAQVGFWSA-N 1 2 542.724 4.658 50 0 KJAALO O=C(/C=C/c1cccc(F)c1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000022917872 1066211819 /nfs/dbraw/zinc/21/18/19/1066211819.db2.gz JXZJNOJHRHZZBW-MDZDMXLPSA-N 1 2 514.645 4.622 50 0 KJAALO O=C(CN1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000022940556 553768540 /nfs/dbraw/zinc/76/85/40/553768540.db2.gz WRPQVTQSKGRCJT-UHFFFAOYSA-N 1 2 519.951 4.710 50 0 KJAALO COc1ccc(CN2C(=O)c3cccc(N4CC[NH+](C/C(Cl)=C/c5ccccc5)CC4)c3C2=O)cc1 ZINC000023128637 553770712 /nfs/dbraw/zinc/77/07/12/553770712.db2.gz BINQFYJEHFFOLH-NKFKGCMQSA-N 1 2 502.014 4.893 50 0 KJAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@@H]3CCCN(C(=O)c4ccc5[nH]c(C)c(C)c5c4)C3)cc2)CC1 ZINC000023128678 553770779 /nfs/dbraw/zinc/77/07/79/553770779.db2.gz PAYSGWNGCWZFHF-RUZDIDTESA-N 1 2 532.685 4.990 50 0 KJAALO CCOC(=O)N1CC[NH+](Cc2ccc(OC[C@H]3CCCN(C(=O)c4ccc5[nH]c(C)c(C)c5c4)C3)cc2)CC1 ZINC000023128679 553770689 /nfs/dbraw/zinc/77/06/89/553770689.db2.gz PAYSGWNGCWZFHF-VWLOTQADSA-N 1 2 532.685 4.990 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000023153714 553770709 /nfs/dbraw/zinc/77/07/09/553770709.db2.gz RRPWJVPYNAHXQS-UHFFFAOYSA-N 1 2 510.612 4.761 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000023153714 553770707 /nfs/dbraw/zinc/77/07/07/553770707.db2.gz RRPWJVPYNAHXQS-UHFFFAOYSA-N 1 2 510.612 4.761 50 0 KJAALO CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc(OCC)c1OCC ZINC000023153793 553770752 /nfs/dbraw/zinc/77/07/52/553770752.db2.gz HVZWTASJGGCMSC-UHFFFAOYSA-N 1 2 523.655 4.854 50 0 KJAALO CCOc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc(OCC)c1OCC ZINC000023153793 553770751 /nfs/dbraw/zinc/77/07/51/553770751.db2.gz HVZWTASJGGCMSC-UHFFFAOYSA-N 1 2 523.655 4.854 50 0 KJAALO COc1cc([C@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000023157985 553771066 /nfs/dbraw/zinc/77/10/66/553771066.db2.gz UXSHYCMISHWBQT-HSZRJFAPSA-N 1 2 508.644 4.875 50 0 KJAALO COc1cc([C@@H](C2Sc3nc(C)nn3C2=O)[NH+]2CCC(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000023157988 553771043 /nfs/dbraw/zinc/77/10/43/553771043.db2.gz UXSHYCMISHWBQT-QHCPKHFHSA-N 1 2 508.644 4.875 50 0 KJAALO Cc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000023158982 553771283 /nfs/dbraw/zinc/77/12/83/553771283.db2.gz RPFIXFMAYWGBFZ-AREMUKBSSA-N 1 2 504.700 4.701 50 0 KJAALO Cc1ccsc1C(=O)N1CCC[C@H](COc2ccc(CN3CC[NH+](Cc4cccnc4)CC3)cc2)C1 ZINC000023158984 553771336 /nfs/dbraw/zinc/77/13/36/553771336.db2.gz RPFIXFMAYWGBFZ-SANMLTNESA-N 1 2 504.700 4.701 50 0 KJAALO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000023182120 553771339 /nfs/dbraw/zinc/77/13/39/553771339.db2.gz LPCCNQLHTMODIV-KOSHJBKYSA-N 1 2 506.093 4.640 50 0 KJAALO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000023182124 553771350 /nfs/dbraw/zinc/77/13/50/553771350.db2.gz LPCCNQLHTMODIV-HOYKHHGWSA-N 1 2 506.093 4.640 50 0 KJAALO COc1ccccc1N1CC[NH+]([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000023182128 553771378 /nfs/dbraw/zinc/77/13/78/553771378.db2.gz LPCCNQLHTMODIV-UUOWRZLLSA-N 1 2 506.093 4.640 50 0 KJAALO COc1ccccc1N1CC[NH+]([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000023182131 553771360 /nfs/dbraw/zinc/77/13/60/553771360.db2.gz LPCCNQLHTMODIV-MHECFPHRSA-N 1 2 506.093 4.640 50 0 KJAALO CC(=O)O[C@@H](C)C(=O)N1CC[NH+](C[C@@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000023304681 553771884 /nfs/dbraw/zinc/77/18/84/553771884.db2.gz VVZSLZAYAMFMTA-GAJHUEQPSA-N 1 2 512.956 4.713 50 0 KJAALO CC(=O)O[C@@H](C)C(=O)N1CC[NH+](C[C@H](OCc2ccc(C(F)(F)F)cc2)c2ccc(Cl)cc2)CC1 ZINC000023304683 553772016 /nfs/dbraw/zinc/77/20/16/553772016.db2.gz VVZSLZAYAMFMTA-SBUREZEXSA-N 1 2 512.956 4.713 50 0 KJAALO CC(=O)Nc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1 ZINC000023304894 553771968 /nfs/dbraw/zinc/77/19/68/553771968.db2.gz WKQIDRDMMAYRGE-UHFFFAOYSA-N 1 2 531.653 4.823 50 0 KJAALO CC(=O)Nc1ccc(C(=O)N2CCC[N@H+](Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1 ZINC000023304894 553771965 /nfs/dbraw/zinc/77/19/65/553771965.db2.gz WKQIDRDMMAYRGE-UHFFFAOYSA-N 1 2 531.653 4.823 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)NCC3CCCCC3)CC2)c2cccc(OC)c2)cc1 ZINC000023305844 553772318 /nfs/dbraw/zinc/77/23/18/553772318.db2.gz ZMPIDMCUMMDZOI-NDEPHWFRSA-N 1 2 523.674 4.647 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)NCC3CCCCC3)CC2)c2cccc(OC)c2)cc1 ZINC000023305846 553772232 /nfs/dbraw/zinc/77/22/32/553772232.db2.gz ZMPIDMCUMMDZOI-MUUNZHRXSA-N 1 2 523.674 4.647 50 0 KJAALO COc1ccc(C(=O)N2CCC[N@@H+](Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1OC ZINC000023307685 553772314 /nfs/dbraw/zinc/77/23/14/553772314.db2.gz UYELDPGNXOMLDG-UHFFFAOYSA-N 1 2 534.653 4.882 50 0 KJAALO COc1ccc(C(=O)N2CCC[N@H+](Cc3cc(=O)c(OCc4ccc(C(C)(C)C)cc4)co3)CC2)cc1OC ZINC000023307685 553772312 /nfs/dbraw/zinc/77/23/12/553772312.db2.gz UYELDPGNXOMLDG-UHFFFAOYSA-N 1 2 534.653 4.882 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023335103 553773879 /nfs/dbraw/zinc/77/38/79/553773879.db2.gz LBRWTLBDCJFVOM-NDEPHWFRSA-N 1 2 509.046 4.968 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023335104 553773847 /nfs/dbraw/zinc/77/38/47/553773847.db2.gz LBRWTLBDCJFVOM-MUUNZHRXSA-N 1 2 509.046 4.968 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023335487 553773862 /nfs/dbraw/zinc/77/38/62/553773862.db2.gz MRHHRUQTXFOXLH-MUUNZHRXSA-N 1 2 509.046 4.968 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(C(=O)COCc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023335488 553773792 /nfs/dbraw/zinc/77/37/92/553773792.db2.gz MRHHRUQTXFOXLH-NDEPHWFRSA-N 1 2 509.046 4.968 50 0 KJAALO CCn1nc(C)c(Br)c1C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023336609 553774402 /nfs/dbraw/zinc/77/44/02/553774402.db2.gz PYBVLWRSUGCVSH-UHFFFAOYSA-N 1 2 511.464 4.538 50 0 KJAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N[C@@H](C)c3cccc4ccccc43)c(=O)[nH]2)CC1 ZINC000023340546 1066235040 /nfs/dbraw/zinc/23/50/40/1066235040.db2.gz ZJDDSODOESXWOT-QFIPXVFZSA-N 1 2 510.638 4.740 50 0 KJAALO CCOc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N[C@H](C)c3cccc4ccccc43)c(=O)[nH]2)CC1 ZINC000023340549 1066235256 /nfs/dbraw/zinc/23/52/56/1066235256.db2.gz ZJDDSODOESXWOT-JOCHJYFZSA-N 1 2 510.638 4.740 50 0 KJAALO CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000023362331 553774825 /nfs/dbraw/zinc/77/48/25/553774825.db2.gz NBSOJOOWJFGPOR-UHFFFAOYSA-N 1 2 515.551 4.954 50 0 KJAALO O=C(/C=C/c1cccs1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000023373823 1066254745 /nfs/dbraw/zinc/25/47/45/1066254745.db2.gz FLXNHNRLCXAVHW-CMDGGOBGSA-N 1 2 502.684 4.544 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023428067 553775358 /nfs/dbraw/zinc/77/53/58/553775358.db2.gz QEXCTNSNTJSOSD-MHZLTWQESA-N 1 2 507.030 4.771 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023428071 553775333 /nfs/dbraw/zinc/77/53/33/553775333.db2.gz QEXCTNSNTJSOSD-HHHXNRCGSA-N 1 2 507.030 4.771 50 0 KJAALO CCCCOCCOCC(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000023431186 553775640 /nfs/dbraw/zinc/77/56/40/553775640.db2.gz FUPFVOVAAJVZLM-UHFFFAOYSA-N 1 2 513.038 4.535 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)CCc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023432235 553776036 /nfs/dbraw/zinc/77/60/36/553776036.db2.gz RZJQOXJPIOYEAJ-LJAQVGFWSA-N 1 2 516.638 4.517 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)CCc3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023432239 553775954 /nfs/dbraw/zinc/77/59/54/553775954.db2.gz RZJQOXJPIOYEAJ-GDLZYMKVSA-N 1 2 516.638 4.517 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)COc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023432993 553775860 /nfs/dbraw/zinc/77/58/60/553775860.db2.gz KEZAKBYDUJRYBV-MHZLTWQESA-N 1 2 523.029 4.608 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)COc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023432996 553775999 /nfs/dbraw/zinc/77/59/99/553775999.db2.gz KEZAKBYDUJRYBV-HHHXNRCGSA-N 1 2 523.029 4.608 50 0 KJAALO COc1cc(NC(=O)N2CC[NH+](CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000023433185 553776248 /nfs/dbraw/zinc/77/62/48/553776248.db2.gz WOHDNMRUNOQDBK-UHFFFAOYSA-N 1 2 511.569 4.938 50 0 KJAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023434423 553776552 /nfs/dbraw/zinc/77/65/52/553776552.db2.gz RSMJEQQAUYRJIA-UHFFFAOYSA-N 1 2 509.553 4.707 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023435862 553776752 /nfs/dbraw/zinc/77/67/52/553776752.db2.gz OJTOJGHVCYWJCQ-NDEPHWFRSA-N 1 2 502.611 4.506 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023435866 553776806 /nfs/dbraw/zinc/77/68/06/553776806.db2.gz OJTOJGHVCYWJCQ-MUUNZHRXSA-N 1 2 502.611 4.506 50 0 KJAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023435944 553776747 /nfs/dbraw/zinc/77/67/47/553776747.db2.gz WFPNKZVEOIEEAO-SANMLTNESA-N 1 2 509.553 4.707 50 0 KJAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023435949 553776810 /nfs/dbraw/zinc/77/68/10/553776810.db2.gz WFPNKZVEOIEEAO-AREMUKBSSA-N 1 2 509.553 4.707 50 0 KJAALO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023436232 553776723 /nfs/dbraw/zinc/77/67/23/553776723.db2.gz YVTAAONZKVFKPM-UHFFFAOYSA-N 1 2 515.473 4.562 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023436527 553776741 /nfs/dbraw/zinc/77/67/41/553776741.db2.gz BYFKQHBVOCNVIP-NDEPHWFRSA-N 1 2 502.611 4.506 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023436531 553777104 /nfs/dbraw/zinc/77/71/04/553777104.db2.gz BYFKQHBVOCNVIP-MUUNZHRXSA-N 1 2 502.611 4.506 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437075 553777063 /nfs/dbraw/zinc/77/70/63/553777063.db2.gz YQKKNDITOSXRBF-SANMLTNESA-N 1 2 510.993 4.982 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437078 553777026 /nfs/dbraw/zinc/77/70/26/553777026.db2.gz YQKKNDITOSXRBF-AREMUKBSSA-N 1 2 510.993 4.982 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023437392 553777022 /nfs/dbraw/zinc/77/70/22/553777022.db2.gz FAHWYXDQDWOYQR-SSEXGKCCSA-N 1 2 518.654 4.666 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023437395 553777032 /nfs/dbraw/zinc/77/70/32/553777032.db2.gz FAHWYXDQDWOYQR-PMERELPUSA-N 1 2 518.654 4.666 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437809 553777388 /nfs/dbraw/zinc/77/73/88/553777388.db2.gz AYLWGAVQLSOWQH-SANMLTNESA-N 1 2 510.993 4.982 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023437813 553777406 /nfs/dbraw/zinc/77/74/06/553777406.db2.gz AYLWGAVQLSOWQH-AREMUKBSSA-N 1 2 510.993 4.982 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023437927 553777369 /nfs/dbraw/zinc/77/73/69/553777369.db2.gz SWQAPCXKKRAJPQ-GDLZYMKVSA-N 1 2 504.627 4.737 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(C(=O)c3ccc(OC)cc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023437929 553777376 /nfs/dbraw/zinc/77/73/76/553777376.db2.gz SWQAPCXKKRAJPQ-LJAQVGFWSA-N 1 2 504.627 4.737 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023438540 553777751 /nfs/dbraw/zinc/77/77/51/553777751.db2.gz RGJCQVWTFIAJNA-MHZLTWQESA-N 1 2 525.020 4.911 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023438544 553777676 /nfs/dbraw/zinc/77/76/76/553777676.db2.gz RGJCQVWTFIAJNA-HHHXNRCGSA-N 1 2 525.020 4.911 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3cccs3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023439372 553777935 /nfs/dbraw/zinc/77/79/35/553777935.db2.gz OJENQLMMNWZDRI-VWLOTQADSA-N 1 2 513.059 4.833 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3cccs3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023439377 553777998 /nfs/dbraw/zinc/77/79/98/553777998.db2.gz OJENQLMMNWZDRI-RUZDIDTESA-N 1 2 513.059 4.833 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023439757 553777947 /nfs/dbraw/zinc/77/79/47/553777947.db2.gz FFXCZHZTPDTJHW-NDEPHWFRSA-N 1 2 517.626 4.898 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023439761 553777922 /nfs/dbraw/zinc/77/79/22/553777922.db2.gz FFXCZHZTPDTJHW-MUUNZHRXSA-N 1 2 517.626 4.898 50 0 KJAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C[C@@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000023440638 553778483 /nfs/dbraw/zinc/77/84/83/553778483.db2.gz FDVIPFFNGHYVDC-MUUNZHRXSA-N 1 2 517.626 4.898 50 0 KJAALO COC(=O)c1ccccc1NC(=O)N1CC[NH+](C[C@H](OCc2ccc(C)cc2)c2cccc(OC)c2)CC1 ZINC000023440640 553778510 /nfs/dbraw/zinc/77/85/10/553778510.db2.gz FDVIPFFNGHYVDC-NDEPHWFRSA-N 1 2 517.626 4.898 50 0 KJAALO O=S(=O)(c1ccccc1Br)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023440649 553778556 /nfs/dbraw/zinc/77/85/56/553778556.db2.gz KSBBURSPQMNNCV-UHFFFAOYSA-N 1 2 515.473 4.562 50 0 KJAALO CCc1ccc(C(=O)N2CC[NH+](C[C@@H](OCc3ccc(C(=O)OC)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000023441759 553778724 /nfs/dbraw/zinc/77/87/24/553778724.db2.gz BFZDTYSMPMYXPN-GDLZYMKVSA-N 1 2 516.638 4.760 50 0 KJAALO CCc1ccc(C(=O)N2CC[NH+](C[C@H](OCc3ccc(C(=O)OC)cc3)c3cccc(OC)c3)CC2)cc1 ZINC000023441762 553778885 /nfs/dbraw/zinc/77/88/85/553778885.db2.gz BFZDTYSMPMYXPN-LJAQVGFWSA-N 1 2 516.638 4.760 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3ccccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023441767 553778761 /nfs/dbraw/zinc/77/87/61/553778761.db2.gz HRMIDJIZVCATFC-MHZLTWQESA-N 1 2 521.589 4.729 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3ccccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000023441770 553778827 /nfs/dbraw/zinc/77/88/27/553778827.db2.gz HRMIDJIZVCATFC-HHHXNRCGSA-N 1 2 521.589 4.729 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442157 553778750 /nfs/dbraw/zinc/77/87/50/553778750.db2.gz IAYSYWHMMXGSMO-JBOQNHBVSA-N 1 2 528.649 4.688 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442160 553778769 /nfs/dbraw/zinc/77/87/69/553778769.db2.gz IAYSYWHMMXGSMO-FRXPANAUSA-N 1 2 528.649 4.688 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442163 553779143 /nfs/dbraw/zinc/77/91/43/553779143.db2.gz IAYSYWHMMXGSMO-DTXPUJKBSA-N 1 2 528.649 4.688 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)CC2)c2cccc(OC)c2)cc1 ZINC000023442166 553779059 /nfs/dbraw/zinc/77/90/59/553779059.db2.gz IAYSYWHMMXGSMO-OIFRRMEBSA-N 1 2 528.649 4.688 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023442264 553779140 /nfs/dbraw/zinc/77/91/40/553779140.db2.gz HBOGRWJDZXSMAH-MHZLTWQESA-N 1 2 515.075 4.754 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)c1 ZINC000023442266 553779051 /nfs/dbraw/zinc/77/90/51/553779051.db2.gz HBOGRWJDZXSMAH-HHHXNRCGSA-N 1 2 515.075 4.754 50 0 KJAALO COC(=O)c1ccc(C(=O)N2CC[NH+](C[C@@H](OCc3cccc(OC)c3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023442372 553779092 /nfs/dbraw/zinc/77/90/92/553779092.db2.gz BEFFJZKPDLLZNN-HHHXNRCGSA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(C(=O)N2CC[NH+](C[C@H](OCc3cccc(OC)c3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023442374 553779097 /nfs/dbraw/zinc/77/90/97/553779097.db2.gz BEFFJZKPDLLZNN-MHZLTWQESA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023442888 553779070 /nfs/dbraw/zinc/77/90/70/553779070.db2.gz RHHKVGGBBAHUCV-MHZLTWQESA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000023442892 553779149 /nfs/dbraw/zinc/77/91/49/553779149.db2.gz RHHKVGGBBAHUCV-HHHXNRCGSA-N 1 2 523.029 4.851 50 0 KJAALO O=S(=O)(c1cccc(C(F)(F)F)c1)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023443009 553779077 /nfs/dbraw/zinc/77/90/77/553779077.db2.gz SMMMEDZBDNATHM-UHFFFAOYSA-N 1 2 504.574 4.818 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023443262 553779434 /nfs/dbraw/zinc/77/94/34/553779434.db2.gz QDMNEYMGWJTUJD-MHZLTWQESA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000023443265 553779400 /nfs/dbraw/zinc/77/94/00/553779400.db2.gz QDMNEYMGWJTUJD-HHHXNRCGSA-N 1 2 523.029 4.851 50 0 KJAALO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000023443329 553779440 /nfs/dbraw/zinc/77/94/40/553779440.db2.gz UPIOOEQRYCPPRW-DEOSSOPVSA-N 1 2 504.052 4.518 50 0 KJAALO Cc1noc(C)c1S(=O)(=O)N1CC[NH+](C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000023443333 553779358 /nfs/dbraw/zinc/77/93/58/553779358.db2.gz UPIOOEQRYCPPRW-XMMPIXPASA-N 1 2 504.052 4.518 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023443381 553779410 /nfs/dbraw/zinc/77/94/10/553779410.db2.gz BPLTYGQRSPVGHX-HHHXNRCGSA-N 1 2 515.075 4.754 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023443385 553779462 /nfs/dbraw/zinc/77/94/62/553779462.db2.gz BPLTYGQRSPVGHX-MHZLTWQESA-N 1 2 515.075 4.754 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)c2ccc(Cl)cc2)cc1 ZINC000023444269 553779629 /nfs/dbraw/zinc/77/96/29/553779629.db2.gz CLAAAFUZTKTMPO-MHZLTWQESA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccccc3OC)CC2)c2ccc(Cl)cc2)cc1 ZINC000023444274 553779687 /nfs/dbraw/zinc/77/96/87/553779687.db2.gz CLAAAFUZTKTMPO-HHHXNRCGSA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023444290 553779692 /nfs/dbraw/zinc/77/96/92/553779692.db2.gz AYLWHAJISJDOKW-MHZLTWQESA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000023444294 553779644 /nfs/dbraw/zinc/77/96/44/553779644.db2.gz AYLWHAJISJDOKW-HHHXNRCGSA-N 1 2 523.029 4.851 50 0 KJAALO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023444979 553779633 /nfs/dbraw/zinc/77/96/33/553779633.db2.gz HBKHPYMVQYLHBQ-VWLOTQADSA-N 1 2 507.002 4.731 50 0 KJAALO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023444982 553779616 /nfs/dbraw/zinc/77/96/16/553779616.db2.gz HBKHPYMVQYLHBQ-RUZDIDTESA-N 1 2 507.002 4.731 50 0 KJAALO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1 ZINC000023445116 553779576 /nfs/dbraw/zinc/77/95/76/553779576.db2.gz OPJILCGWJYWWKU-MHZLTWQESA-N 1 2 500.611 4.694 50 0 KJAALO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)c1 ZINC000023445119 553779676 /nfs/dbraw/zinc/77/96/76/553779676.db2.gz OPJILCGWJYWWKU-HHHXNRCGSA-N 1 2 500.611 4.694 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000023445353 553780053 /nfs/dbraw/zinc/78/00/53/553780053.db2.gz PXPYSAZGLUCRCC-MHZLTWQESA-N 1 2 523.029 4.851 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000023445356 553780034 /nfs/dbraw/zinc/78/00/34/553780034.db2.gz PXPYSAZGLUCRCC-HHHXNRCGSA-N 1 2 523.029 4.851 50 0 KJAALO O=S(=O)(c1ccccc1)N1CC[NH+](CCO[C@@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000023445741 553780046 /nfs/dbraw/zinc/78/00/46/553780046.db2.gz SMHRLLOXJYIDJU-VWLOTQADSA-N 1 2 504.574 4.818 50 0 KJAALO O=S(=O)(c1ccccc1)N1CC[NH+](CCO[C@H](c2ccccc2)c2cccc(C(F)(F)F)c2)CC1 ZINC000023445744 553779955 /nfs/dbraw/zinc/77/99/55/553779955.db2.gz SMHRLLOXJYIDJU-RUZDIDTESA-N 1 2 504.574 4.818 50 0 KJAALO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000023445820 553780336 /nfs/dbraw/zinc/78/03/36/553780336.db2.gz HBZDMMVVTBGFAK-UHFFFAOYSA-N 1 2 504.574 4.818 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cc(F)ccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446094 553780226 /nfs/dbraw/zinc/78/02/26/553780226.db2.gz YRTHWCJHVRISEF-NDEPHWFRSA-N 1 2 520.601 4.645 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cc(F)ccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446096 553780324 /nfs/dbraw/zinc/78/03/24/553780324.db2.gz YRTHWCJHVRISEF-MUUNZHRXSA-N 1 2 520.601 4.645 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3sccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446319 553780300 /nfs/dbraw/zinc/78/03/00/553780300.db2.gz UKDZSHDBNBJCKS-VWLOTQADSA-N 1 2 508.640 4.568 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3sccc3C)CC2)c2cccc(OC)c2)cc1 ZINC000023446321 553780354 /nfs/dbraw/zinc/78/03/54/553780354.db2.gz UKDZSHDBNBJCKS-RUZDIDTESA-N 1 2 508.640 4.568 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3ccccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000023446414 553780267 /nfs/dbraw/zinc/78/02/67/553780267.db2.gz KZJHRCBHWCSNOF-NDEPHWFRSA-N 1 2 533.625 4.598 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3ccccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000023446416 553780209 /nfs/dbraw/zinc/78/02/09/553780209.db2.gz KZJHRCBHWCSNOF-MUUNZHRXSA-N 1 2 533.625 4.598 50 0 KJAALO O=C(Nc1cc(F)cc2c1OCOC2)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023446487 553780605 /nfs/dbraw/zinc/78/06/05/553780605.db2.gz IOHBYMQUVIZSDW-SANMLTNESA-N 1 2 527.543 4.926 50 0 KJAALO O=C(Nc1cc(F)cc2c1OCOC2)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000023446489 553780635 /nfs/dbraw/zinc/78/06/35/553780635.db2.gz IOHBYMQUVIZSDW-AREMUKBSSA-N 1 2 527.543 4.926 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000023447427 553781100 /nfs/dbraw/zinc/78/11/00/553781100.db2.gz XHQIGPBRBMLLFW-HHHXNRCGSA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000023447429 553781156 /nfs/dbraw/zinc/78/11/56/553781156.db2.gz XHQIGPBRBMLLFW-MHZLTWQESA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc(S(=O)(=O)N2CC[NH+](C[C@@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)c1 ZINC000023447735 553781166 /nfs/dbraw/zinc/78/11/66/553781166.db2.gz METNMRVHZQMQIE-HHHXNRCGSA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc(S(=O)(=O)N2CC[NH+](C[C@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)c1 ZINC000023447738 553781059 /nfs/dbraw/zinc/78/10/59/553781059.db2.gz METNMRVHZQMQIE-MHZLTWQESA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023448298 553781382 /nfs/dbraw/zinc/78/13/82/553781382.db2.gz PMEBALABYZBPPF-HHHXNRCGSA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023448301 553781367 /nfs/dbraw/zinc/78/13/67/553781367.db2.gz PMEBALABYZBPPF-MHZLTWQESA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023449518 553781648 /nfs/dbraw/zinc/78/16/48/553781648.db2.gz CCCAZVDGVZQLPY-AREMUKBSSA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3Cl)CC2)OCc2ccc(C)cc2)c1 ZINC000023449521 553781677 /nfs/dbraw/zinc/78/16/77/553781677.db2.gz CCCAZVDGVZQLPY-SANMLTNESA-N 1 2 515.075 4.921 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023450666 553781922 /nfs/dbraw/zinc/78/19/22/553781922.db2.gz MDFRKFUSIWKQBM-HHHXNRCGSA-N 1 2 512.647 4.716 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023450668 553782213 /nfs/dbraw/zinc/78/22/13/553782213.db2.gz MDFRKFUSIWKQBM-MHZLTWQESA-N 1 2 512.647 4.716 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023451391 553782469 /nfs/dbraw/zinc/78/24/69/553782469.db2.gz GVVUJLTZIBTQLY-HHHXNRCGSA-N 1 2 516.610 4.546 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000023451393 553782456 /nfs/dbraw/zinc/78/24/56/553782456.db2.gz GVVUJLTZIBTQLY-MHZLTWQESA-N 1 2 516.610 4.546 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023451466 553782497 /nfs/dbraw/zinc/78/24/97/553782497.db2.gz RAIRHEQPXREIRX-AREMUKBSSA-N 1 2 516.610 4.546 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2ccc(C)cc2)c1 ZINC000023451468 553782528 /nfs/dbraw/zinc/78/25/28/553782528.db2.gz RAIRHEQPXREIRX-SANMLTNESA-N 1 2 516.610 4.546 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023453402 553782984 /nfs/dbraw/zinc/78/29/84/553782984.db2.gz FVNAWSZGZRNBAW-MHZLTWQESA-N 1 2 531.074 4.622 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000023453405 553783020 /nfs/dbraw/zinc/78/30/20/553783020.db2.gz FVNAWSZGZRNBAW-HHHXNRCGSA-N 1 2 531.074 4.622 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023454048 553783204 /nfs/dbraw/zinc/78/32/04/553783204.db2.gz XFLVRSMQENPKCZ-HHHXNRCGSA-N 1 2 531.074 4.622 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000023454050 553783263 /nfs/dbraw/zinc/78/32/63/553783263.db2.gz XFLVRSMQENPKCZ-MHZLTWQESA-N 1 2 531.074 4.622 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023454382 553783233 /nfs/dbraw/zinc/78/32/33/553783233.db2.gz LDQODKLWHYTJAB-MUUNZHRXSA-N 1 2 524.683 4.585 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2ccc(C)cc2)c1 ZINC000023454384 553783220 /nfs/dbraw/zinc/78/32/20/553783220.db2.gz LDQODKLWHYTJAB-NDEPHWFRSA-N 1 2 524.683 4.585 50 0 KJAALO O=C(COCc1ccccc1)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(Cl)c4)n3)cc2)CC1 ZINC000023458461 553784638 /nfs/dbraw/zinc/78/46/38/553784638.db2.gz NXRVPJJHDVCNNZ-UHFFFAOYSA-N 1 2 503.002 4.918 50 0 KJAALO O=C(COCc1ccccc1)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000023461124 553786058 /nfs/dbraw/zinc/78/60/58/553786058.db2.gz OFLIPOFEUQPAPB-UHFFFAOYSA-N 1 2 503.002 4.918 50 0 KJAALO CCCCN1CCS(=O)(=O)c2c(F)c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc(F)c21 ZINC000024615787 553791103 /nfs/dbraw/zinc/79/11/03/553791103.db2.gz TVAVROPXFZZKSB-UHFFFAOYSA-N 1 2 526.653 4.665 50 0 KJAALO O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000024632045 553791080 /nfs/dbraw/zinc/79/10/80/553791080.db2.gz UGQSUNVAYHHRSA-UHFFFAOYSA-N 1 2 518.664 4.569 50 0 aggregator KJAALO CCOC(=O)c1c2c(sc1NC(=O)c1cncc(Br)c1)C[N@H+](Cc1ccccc1)CC2 ZINC000025140117 553793253 /nfs/dbraw/zinc/79/32/53/553793253.db2.gz JZKJDXMKGDVKHF-UHFFFAOYSA-N 1 2 500.418 4.893 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)c1cncc(Br)c1)C[N@@H+](Cc1ccccc1)CC2 ZINC000025140117 553793252 /nfs/dbraw/zinc/79/32/52/553793252.db2.gz JZKJDXMKGDVKHF-UHFFFAOYSA-N 1 2 500.418 4.893 50 0 KJAALO O=S(=O)(c1ccccc1OC(F)(F)F)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000025142455 553793366 /nfs/dbraw/zinc/79/33/66/553793366.db2.gz CRNHQXCGCWVVMO-UHFFFAOYSA-N 1 2 502.558 4.780 50 0 KJAALO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025143072 553793851 /nfs/dbraw/zinc/79/38/51/553793851.db2.gz ZHMHXIPLQZEEFG-UHFFFAOYSA-N 1 2 506.965 4.919 50 0 KJAALO COc1ccc(CC(=O)N2CC[NH+](Cc3cccc(-c4noc(-c5cccc(Cl)c5)n4)c3)CC2)cc1 ZINC000025143732 553794182 /nfs/dbraw/zinc/79/41/82/553794182.db2.gz KDCPZNJVDFCBIZ-UHFFFAOYSA-N 1 2 503.002 4.953 50 0 KJAALO O=C(c1ccc2nonc2c1)N1CC[NH+](C[C@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000025144230 553794474 /nfs/dbraw/zinc/79/44/74/553794474.db2.gz FYVSAQZYUVMMHH-VWLOTQADSA-N 1 2 512.944 4.870 50 0 KJAALO O=C(c1ccc2nonc2c1)N1CC[NH+](C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1 ZINC000025144233 553794442 /nfs/dbraw/zinc/79/44/42/553794442.db2.gz FYVSAQZYUVMMHH-RUZDIDTESA-N 1 2 512.944 4.870 50 0 KJAALO COc1ccccc1CC(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025144664 553794478 /nfs/dbraw/zinc/79/44/78/553794478.db2.gz GNLOERWYBDPVRS-UHFFFAOYSA-N 1 2 503.002 4.953 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000025146405 553795290 /nfs/dbraw/zinc/79/52/90/553795290.db2.gz RLEFAWNVMNGYCJ-UHFFFAOYSA-N 1 2 508.548 4.597 50 0 KJAALO O=C(c1ccc2c(c1)CCO2)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025147629 553795591 /nfs/dbraw/zinc/79/55/91/553795591.db2.gz CDGWJXXIJGDQMA-UHFFFAOYSA-N 1 2 500.986 4.950 50 0 KJAALO O=C(Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000025148791 553795898 /nfs/dbraw/zinc/79/58/98/553795898.db2.gz UDOLXQSUIHVIHE-UHFFFAOYSA-N 1 2 516.985 4.673 50 0 KJAALO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@@H]12 ZINC000025184542 553805783 /nfs/dbraw/zinc/80/57/83/553805783.db2.gz ARSVDEYGLVYSND-BVAGGSTKSA-N 1 2 502.416 4.505 50 0 KJAALO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@@H]12 ZINC000025184550 553805822 /nfs/dbraw/zinc/80/58/22/553805822.db2.gz ARSVDEYGLVYSND-ZEQKJWHPSA-N 1 2 502.416 4.505 50 0 KJAALO Cc1ccc(Nc2nc(CSc3nc4ccccc4c(=O)n3CCC[NH+]3CCOCC3)cs2)cc1 ZINC000025425477 553809230 /nfs/dbraw/zinc/80/92/30/553809230.db2.gz HGAWAUGLCCQBAH-UHFFFAOYSA-N 1 2 507.685 4.920 50 0 KJAALO O=c1c2c3c(sc2nc(SC[C@@H]2C[N@@H+](Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 ZINC000025747149 571360675 /nfs/dbraw/zinc/36/06/75/571360675.db2.gz AJHPMUBNVCPGOM-QFIPXVFZSA-N 1 2 503.693 4.988 50 0 KJAALO O=c1c2c3c(sc2nc(SC[C@@H]2C[N@H+](Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 ZINC000025747149 571360674 /nfs/dbraw/zinc/36/06/74/571360674.db2.gz AJHPMUBNVCPGOM-QFIPXVFZSA-N 1 2 503.693 4.988 50 0 KJAALO O=c1c2c3c(sc2nc(SC[C@H]2C[N@@H+](Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 ZINC000025747156 571360702 /nfs/dbraw/zinc/36/07/02/571360702.db2.gz AJHPMUBNVCPGOM-JOCHJYFZSA-N 1 2 503.693 4.988 50 0 KJAALO O=c1c2c3c(sc2nc(SC[C@H]2C[N@H+](Cc4ccccc4)CCO2)n1Cc1ccccc1)CCC3 ZINC000025747156 571360701 /nfs/dbraw/zinc/36/07/01/571360701.db2.gz AJHPMUBNVCPGOM-JOCHJYFZSA-N 1 2 503.693 4.988 50 0 KJAALO O=C(CSc1ncnc2scc(-c3ccccc3)c21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025748695 561762769 /nfs/dbraw/zinc/76/27/69/561762769.db2.gz SMFLETPVHSACRZ-UHFFFAOYSA-N 1 2 504.637 4.524 50 0 KJAALO CC1(C)Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[C@@H](N(Cc2[nH]cc[nH+]2)c2ccc(Cl)cc2)[C@@H]1O ZINC000026020766 553814430 /nfs/dbraw/zinc/81/44/30/553814430.db2.gz RZHDQAKIFAATRF-RPBOFIJWSA-N 1 2 531.078 4.518 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccccc1 ZINC000027024860 553824568 /nfs/dbraw/zinc/82/45/68/553824568.db2.gz BNTJUHMOWCIFOV-PLRJNAJWSA-N 1 2 522.634 4.775 50 0 KJAALO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Br)cc(Br)c3O)cc2Cl)CC1 ZINC000027439827 553825566 /nfs/dbraw/zinc/82/55/66/553825566.db2.gz NQWAJGLKKLIWQQ-UHFFFAOYSA-N 1 2 503.622 4.575 50 0 KJAALO COc1cc(OC)c(NC(=O)c2cnc(N3CCN(c4cccc[nH+]4)CC3)c3ccccc23)cc1Cl ZINC000027534613 553832599 /nfs/dbraw/zinc/83/25/99/553832599.db2.gz SLMOIKWYNLCRGX-UHFFFAOYSA-N 1 2 503.990 4.879 50 0 KJAALO O=C(c1cnc(N2CCN(c3cccc[nH+]3)CC2)c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 ZINC000027534623 553832612 /nfs/dbraw/zinc/83/26/12/553832612.db2.gz JQQHQPKOGULZSL-UHFFFAOYSA-N 1 2 513.045 4.572 50 0 KJAALO C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=[NH+]/C34CC5CC(CC(C5)C3)C4)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 ZINC000028862146 553843977 /nfs/dbraw/zinc/84/39/77/553843977.db2.gz RPQWRIJQHPRPED-GPGQQJLTSA-N 1 2 537.741 4.739 50 0 biogenic KJAALO COc1ccccc1NC(=O)CSc1nc2cc(OC)c(OC)cc2c2nc(CCn3c(C)[nH+]c4ccccc43)nn21 ZINC000029749246 553851641 /nfs/dbraw/zinc/85/16/41/553851641.db2.gz LYPPWXCBVZEPIG-UHFFFAOYSA-N 1 2 583.674 4.935 50 0 KJAALO C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc1)c1cc(Cl)ccc1O2 ZINC000029749595 553852206 /nfs/dbraw/zinc/85/22/06/553852206.db2.gz LWCFSVNOLFYRTE-AYWVHJORSA-N 1 2 561.038 4.796 50 0 KJAALO O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749695 553852518 /nfs/dbraw/zinc/85/25/18/553852518.db2.gz JKULJUMNNVOINP-SANMLTNESA-N 1 2 544.142 4.736 50 0 KJAALO O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749697 553852523 /nfs/dbraw/zinc/85/25/23/553852523.db2.gz JKULJUMNNVOINP-AREMUKBSSA-N 1 2 544.142 4.736 50 0 KJAALO O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749699 553852530 /nfs/dbraw/zinc/85/25/30/553852530.db2.gz LOGAJDGCHZWOPB-BVAGGSTKSA-N 1 2 544.142 4.736 50 0 KJAALO O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749701 553852492 /nfs/dbraw/zinc/85/24/92/553852492.db2.gz LOGAJDGCHZWOPB-ZEQKJWHPSA-N 1 2 544.142 4.736 50 0 KJAALO O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749703 553852554 /nfs/dbraw/zinc/85/25/54/553852554.db2.gz LOGAJDGCHZWOPB-OZXSUGGESA-N 1 2 544.142 4.736 50 0 KJAALO O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000029749705 553852547 /nfs/dbraw/zinc/85/25/47/553852547.db2.gz LOGAJDGCHZWOPB-JYFHCDHNSA-N 1 2 544.142 4.736 50 0 KJAALO O=C(c1ccc2c(c1)NC(=O)[C@H](CSCc1c(F)cccc1Cl)N2)N1CCN(c2cccc[nH+]2)CC1 ZINC000029749720 553852496 /nfs/dbraw/zinc/85/24/96/553852496.db2.gz QUAAZDSNXFJFNT-QHCPKHFHSA-N 1 2 526.037 4.503 50 0 KJAALO O=C(c1ccc2c(c1)NC(=O)[C@@H](CSCc1c(F)cccc1Cl)N2)N1CCN(c2cccc[nH+]2)CC1 ZINC000029749723 553852475 /nfs/dbraw/zinc/85/24/75/553852475.db2.gz QUAAZDSNXFJFNT-HSZRJFAPSA-N 1 2 526.037 4.503 50 0 KJAALO CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)cc3N(C)C2=O)cc1OC ZINC000029749965 553853212 /nfs/dbraw/zinc/85/32/12/553853212.db2.gz MNBHTXSFZJOYJP-OCSSWDANSA-N 1 2 587.698 4.890 50 0 KJAALO COc1cc(CN(C[C@@H]2CCCO2)c2[nH+]cnc3c2cnn3-c2cc(C)ccc2C)cc(OC)c1OC ZINC000032620492 553870249 /nfs/dbraw/zinc/87/02/49/553870249.db2.gz MJGAUSZGFCWSRD-NRFANRHFSA-N 1 2 503.603 4.644 50 0 KJAALO COc1cc(CN(C[C@H]2CCCO2)c2[nH+]cnc3c2cnn3-c2cc(C)ccc2C)cc(OC)c1OC ZINC000032620493 553870186 /nfs/dbraw/zinc/87/01/86/553870186.db2.gz MJGAUSZGFCWSRD-OAQYLSRUSA-N 1 2 503.603 4.644 50 0 KJAALO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)CC1 ZINC000032963898 553882450 /nfs/dbraw/zinc/88/24/50/553882450.db2.gz UJMSRLDUMIFPLQ-UHFFFAOYSA-N 1 2 526.102 4.551 50 0 KJAALO COC(=O)c1ccc(Cl)cc1NC(=O)N1CCN(c2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000032978104 553884418 /nfs/dbraw/zinc/88/44/18/553884418.db2.gz QBZLXVKKVUJMEZ-UHFFFAOYSA-N 1 2 503.990 4.879 50 0 KJAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCN([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353084 553923144 /nfs/dbraw/zinc/92/31/44/553923144.db2.gz ZVRAXCMAEROXPS-AQOUDTPCSA-N 1 2 632.852 4.660 50 0 KJAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CC[NH+]([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353084 553923140 /nfs/dbraw/zinc/92/31/40/553923140.db2.gz ZVRAXCMAEROXPS-AQOUDTPCSA-N 1 2 632.852 4.660 50 0 KJAALO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)N2CC[NH+]([C@@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353085 553923042 /nfs/dbraw/zinc/92/30/42/553923042.db2.gz ZVRAXCMAEROXPS-HEVIKAOCSA-N 1 2 632.852 4.660 50 0 KJAALO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)N2CC[NH+]([C@H](CNS(=O)(=O)c3ccc(C)cc3)c3ccccc3)CC2)cc1 ZINC000033353086 553923080 /nfs/dbraw/zinc/92/30/80/553923080.db2.gz ZVRAXCMAEROXPS-KKLWWLSJSA-N 1 2 632.852 4.660 50 0 KJAALO Cc1ccc(-c2nnc(Nc3ccc(C(=O)N4CCCCC4)cc3)c3ccccc32)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000033353716 553926742 /nfs/dbraw/zinc/92/67/42/553926742.db2.gz OYXKPSQIXHTXLQ-UHFFFAOYSA-N 1 2 584.746 4.911 50 0 KJAALO Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3c4ccccc4oc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000033355686 553936149 /nfs/dbraw/zinc/93/61/49/553936149.db2.gz JWAFSGRUVIDXAY-UHFFFAOYSA-N 1 2 600.741 4.739 50 0 KJAALO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c1)c1cc(Br)ccc1O2 ZINC000033356246 553939846 /nfs/dbraw/zinc/93/98/46/553939846.db2.gz HMUGSSJOZZNZSV-AJTFRIOCSA-N 1 2 548.441 4.576 50 0 KJAALO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@@H]12 ZINC000033428994 553959554 /nfs/dbraw/zinc/95/95/54/553959554.db2.gz JQFMYEZPWCCJHB-SQHAQQRYSA-N 1 2 516.443 4.813 50 0 KJAALO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@@H]12 ZINC000033428995 553959545 /nfs/dbraw/zinc/95/95/45/553959545.db2.gz JQFMYEZPWCCJHB-SHQCIBLASA-N 1 2 516.443 4.813 50 0 KJAALO O=C(c1cc(-c2ccccc2)n(-c2nc(-c3cccc(O)c3)cs2)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033435907 553960260 /nfs/dbraw/zinc/96/02/60/553960260.db2.gz JNEKNFKTENQZFO-UHFFFAOYSA-N 1 2 508.607 4.726 50 0 KJAALO CC(C)c1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccccc2F)C1=O ZINC000033562480 553962986 /nfs/dbraw/zinc/96/29/86/553962986.db2.gz ZWSLSSRGVSDGNN-UHFFFAOYSA-O 1 2 503.941 4.723 50 0 KJAALO COc1ccc(Cc2c(C)[nH+]c(C)nc2N2CCCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000033637151 553965462 /nfs/dbraw/zinc/96/54/62/553965462.db2.gz CUOUCXSBEJYZCW-UHFFFAOYSA-N 1 2 503.691 4.883 50 0 KJAALO CCOc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OCC[NH+]1CCOCC1 ZINC000033781365 553973190 /nfs/dbraw/zinc/97/31/90/553973190.db2.gz QMCBTWHJQCWRRN-MBEZDYHHSA-N 1 2 529.685 4.662 50 0 KJAALO CCOc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OCC[NH+]1CCOCC1 ZINC000033781367 553973203 /nfs/dbraw/zinc/97/32/03/553973203.db2.gz QMCBTWHJQCWRRN-ZXDNMGRFSA-N 1 2 529.685 4.662 50 0 KJAALO COc1cc(OC)cc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000033787386 553973810 /nfs/dbraw/zinc/97/38/10/553973810.db2.gz IGRJXFYERAXUDT-GDLZYMKVSA-N 1 2 527.665 4.677 50 0 KJAALO COc1cc(OC)cc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)c1 ZINC000033787387 553973828 /nfs/dbraw/zinc/97/38/28/553973828.db2.gz IGRJXFYERAXUDT-LJAQVGFWSA-N 1 2 527.665 4.677 50 0 KJAALO O=C(Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Cl)cc2Cl)cc1)NCC[NH+]1CCOCC1 ZINC000034675433 553983036 /nfs/dbraw/zinc/98/30/36/553983036.db2.gz FWCXSMVHAWTSCA-UHFFFAOYSA-N 1 2 526.464 4.831 50 0 KJAALO CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034676900 553983208 /nfs/dbraw/zinc/98/32/08/553983208.db2.gz YYPQONXVWJMIID-UHFFFAOYSA-N 1 2 520.081 4.891 50 0 KJAALO CCN(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2 ZINC000034676905 553983119 /nfs/dbraw/zinc/98/31/19/553983119.db2.gz SHZBOTDFFGBFKT-UHFFFAOYSA-N 1 2 506.054 4.503 50 0 KJAALO CC1CCN(c2nc(N(C)Cc3ccccc3)[nH+]c3c2CN(S(=O)(=O)c2cccc(Cl)c2)CC3)CC1 ZINC000034679151 553984273 /nfs/dbraw/zinc/98/42/73/553984273.db2.gz ZOYLEPXGPJDIPN-UHFFFAOYSA-N 1 2 526.106 4.750 50 0 KJAALO CN(c1nc(N2CCCCC2)c2c([nH+]1)CCN(S(=O)(=O)c1cccc(Cl)c1)C2)C1CCCCC1 ZINC000034679154 553984338 /nfs/dbraw/zinc/98/43/38/553984338.db2.gz GJWIZPPMFUCHSF-UHFFFAOYSA-N 1 2 504.100 4.636 50 0 KJAALO COc1ccc(C[NH+]2CCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1OC ZINC000034681473 553985011 /nfs/dbraw/zinc/98/50/11/553985011.db2.gz HGJKADMRQJVXPW-UHFFFAOYSA-N 1 2 518.658 4.979 50 0 KJAALO O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684298 553986705 /nfs/dbraw/zinc/98/67/05/553986705.db2.gz JGSMAOOJOGOODG-UHFFFAOYSA-N 1 2 511.544 4.682 50 0 KJAALO O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000034684298 553986701 /nfs/dbraw/zinc/98/67/01/553986701.db2.gz JGSMAOOJOGOODG-UHFFFAOYSA-N 1 2 511.544 4.682 50 0 KJAALO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](C)CC4)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000034685731 553987712 /nfs/dbraw/zinc/98/77/12/553987712.db2.gz XKRSNSHCPRMHBP-NDEPHWFRSA-N 1 2 519.617 4.515 50 0 KJAALO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](C)CC4)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000034685732 553987708 /nfs/dbraw/zinc/98/77/08/553987708.db2.gz XKRSNSHCPRMHBP-MUUNZHRXSA-N 1 2 519.617 4.515 50 0 KJAALO C[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)N(C(=O)C(C)(C)C)CC4)o2)CC1 ZINC000034685753 553987798 /nfs/dbraw/zinc/98/77/98/553987798.db2.gz ZLUBWCGJSAZDBD-NDEPHWFRSA-N 1 2 515.654 4.766 50 0 KJAALO C[NH+]1CCN(C(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)N(C(=O)C(C)(C)C)CC4)o2)CC1 ZINC000034685754 553987703 /nfs/dbraw/zinc/98/77/03/553987703.db2.gz ZLUBWCGJSAZDBD-MUUNZHRXSA-N 1 2 515.654 4.766 50 0 KJAALO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](C)CC4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000034685763 553987776 /nfs/dbraw/zinc/98/77/76/553987776.db2.gz PEEWXEHWHSGYEN-NDEPHWFRSA-N 1 2 519.617 4.515 50 0 KJAALO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH+](C)CC4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000034685764 553987652 /nfs/dbraw/zinc/98/76/52/553987652.db2.gz PEEWXEHWHSGYEN-MUUNZHRXSA-N 1 2 519.617 4.515 50 0 KJAALO COCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCc4cccc(C(F)(F)F)c4)cc3)n2)CC1 ZINC000034717223 553995890 /nfs/dbraw/zinc/99/58/90/553995890.db2.gz DADVPSIILWSWKG-UHFFFAOYSA-N 1 2 505.562 4.812 50 0 KJAALO COCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3F)n2)CC1 ZINC000034722926 553996485 /nfs/dbraw/zinc/99/64/85/553996485.db2.gz ZQBOUHMUNXGUAM-UHFFFAOYSA-N 1 2 523.552 4.951 50 0 KJAALO COc1cccc(Oc2nc(N3CCOCC3)nc3c2C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034755553 553999001 /nfs/dbraw/zinc/99/90/01/553999001.db2.gz LLVQFMFEBYXIDN-UHFFFAOYSA-N 1 2 500.521 4.691 50 0 KJAALO COc1cccc(Oc2nc(N3CCOCC3)nc3c2C[N@H+](Cc2ccc(C(F)(F)F)cc2)CC3)c1 ZINC000034755553 553998999 /nfs/dbraw/zinc/99/89/99/553998999.db2.gz LLVQFMFEBYXIDN-UHFFFAOYSA-N 1 2 500.521 4.691 50 0 KJAALO COc1ccccc1Oc1nc(N2CCOCC2)nc2c1C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000034755592 553999033 /nfs/dbraw/zinc/99/90/33/553999033.db2.gz PCYZRQBOWHAYRD-UHFFFAOYSA-N 1 2 500.521 4.691 50 0 KJAALO COc1ccccc1Oc1nc(N2CCOCC2)nc2c1C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000034755592 553999029 /nfs/dbraw/zinc/99/90/29/553999029.db2.gz PCYZRQBOWHAYRD-UHFFFAOYSA-N 1 2 500.521 4.691 50 0 KJAALO CC(C)c1ccc(NC(=O)N2CCc3[nH+]c(N4CCN(c5ccccc5F)CC4)nc(N(C)C)c3C2)cc1 ZINC000034756599 553999389 /nfs/dbraw/zinc/99/93/89/553999389.db2.gz UNTPHVLWWVCDGG-UHFFFAOYSA-N 1 2 517.653 4.722 50 0 KJAALO CC(C)c1ccc(NC(=O)N2CCc3[nH+]c(N4CCN(c5ccc(F)cc5)CC4)nc(N(C)C)c3C2)cc1 ZINC000034756608 553999488 /nfs/dbraw/zinc/99/94/88/553999488.db2.gz PAMIZVUBFZIXKT-UHFFFAOYSA-N 1 2 517.653 4.722 50 0 KJAALO Cc1ccc(N2CCN(c3nc(N(C)C)c4c([nH+]3)CCN(C(=O)Nc3ccc(C(C)C)cc3)C4)CC2)cc1 ZINC000034756616 553999426 /nfs/dbraw/zinc/99/94/26/553999426.db2.gz KQJLJMCKIIDQHV-UHFFFAOYSA-N 1 2 513.690 4.891 50 0 KJAALO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(/C=C4\SC(=O)N(Cc5ccccc5)C4=O)cc3)CC2)cc1 ZINC000034761324 554001593 /nfs/dbraw/zinc/00/15/93/554001593.db2.gz SRBWZZMADGUUJS-DIBXZPPDSA-N 1 2 527.646 4.890 50 0 KJAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000034761369 554001546 /nfs/dbraw/zinc/00/15/46/554001546.db2.gz MHAAOPZFFONELO-QJOMJCCJSA-N 1 2 519.026 4.934 50 0 KJAALO O=C(c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)c(F)c3)C2=O)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000034761467 554001854 /nfs/dbraw/zinc/00/18/54/554001854.db2.gz JYHRYHBHVWWOHF-KQWNVCNZSA-N 1 2 520.561 4.559 50 0 KJAALO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(/C=C4\SC(=O)N(Cc5ccccc5)C4=O)c3)CC2)cc1 ZINC000034761671 554002149 /nfs/dbraw/zinc/00/21/49/554002149.db2.gz BWNFYFZBKMNPCR-DIBXZPPDSA-N 1 2 527.646 4.890 50 0 KJAALO O=C(c1cccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000034761730 554002236 /nfs/dbraw/zinc/00/22/36/554002236.db2.gz NOUHIMNVIHEKTK-QJOMJCCJSA-N 1 2 519.026 4.934 50 0 KJAALO O=C(CCC1CCCC1)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787425 554004475 /nfs/dbraw/zinc/00/44/75/554004475.db2.gz PVPDLEQZZKGQGW-HHHXNRCGSA-N 1 2 500.108 4.990 50 0 KJAALO O=C(CCC1CCCC1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787425 554004472 /nfs/dbraw/zinc/00/44/72/554004472.db2.gz PVPDLEQZZKGQGW-HHHXNRCGSA-N 1 2 500.108 4.990 50 0 KJAALO O=C(CCC1CCCC1)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787429 554004437 /nfs/dbraw/zinc/00/44/37/554004437.db2.gz PVPDLEQZZKGQGW-MHZLTWQESA-N 1 2 500.108 4.990 50 0 KJAALO O=C(CCC1CCCC1)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787429 554004435 /nfs/dbraw/zinc/00/44/35/554004435.db2.gz PVPDLEQZZKGQGW-MHZLTWQESA-N 1 2 500.108 4.990 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000034787466 554004895 /nfs/dbraw/zinc/00/48/95/554004895.db2.gz ZHHAXZIBUVGATN-MHZLTWQESA-N 1 2 508.087 4.896 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000034787466 554004890 /nfs/dbraw/zinc/00/48/90/554004890.db2.gz ZHHAXZIBUVGATN-MHZLTWQESA-N 1 2 508.087 4.896 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000034787469 554004859 /nfs/dbraw/zinc/00/48/59/554004859.db2.gz ZHHAXZIBUVGATN-HHHXNRCGSA-N 1 2 508.087 4.896 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(Cl)cc3)CC2)cc1 ZINC000034787469 554004854 /nfs/dbraw/zinc/00/48/54/554004854.db2.gz ZHHAXZIBUVGATN-HHHXNRCGSA-N 1 2 508.087 4.896 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787506 554004934 /nfs/dbraw/zinc/00/49/34/554004934.db2.gz YVTKVMPILIRWFG-AREMUKBSSA-N 1 2 512.050 4.863 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787506 554004929 /nfs/dbraw/zinc/00/49/29/554004929.db2.gz YVTKVMPILIRWFG-AREMUKBSSA-N 1 2 512.050 4.863 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787509 554004782 /nfs/dbraw/zinc/00/47/82/554004782.db2.gz YVTKVMPILIRWFG-SANMLTNESA-N 1 2 512.050 4.863 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000034787509 554004779 /nfs/dbraw/zinc/00/47/79/554004779.db2.gz YVTKVMPILIRWFG-SANMLTNESA-N 1 2 512.050 4.863 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787531 554005049 /nfs/dbraw/zinc/00/50/49/554005049.db2.gz RSWPGJSCTOMGEF-AREMUKBSSA-N 1 2 500.108 4.990 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787531 554005045 /nfs/dbraw/zinc/00/50/45/554005045.db2.gz RSWPGJSCTOMGEF-AREMUKBSSA-N 1 2 500.108 4.990 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787534 554004797 /nfs/dbraw/zinc/00/47/97/554004797.db2.gz RSWPGJSCTOMGEF-SANMLTNESA-N 1 2 500.108 4.990 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)C2CCCCC2)CC1 ZINC000034787534 554004792 /nfs/dbraw/zinc/00/47/92/554004792.db2.gz RSWPGJSCTOMGEF-SANMLTNESA-N 1 2 500.108 4.990 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787547 554004770 /nfs/dbraw/zinc/00/47/70/554004770.db2.gz KUYPAQNGDZYULJ-DEOSSOPVSA-N 1 2 500.089 4.785 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787547 554004767 /nfs/dbraw/zinc/00/47/67/554004767.db2.gz KUYPAQNGDZYULJ-DEOSSOPVSA-N 1 2 500.089 4.785 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787550 554004729 /nfs/dbraw/zinc/00/47/29/554004729.db2.gz KUYPAQNGDZYULJ-XMMPIXPASA-N 1 2 500.089 4.785 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000034787550 554004725 /nfs/dbraw/zinc/00/47/25/554004725.db2.gz KUYPAQNGDZYULJ-XMMPIXPASA-N 1 2 500.089 4.785 50 0 KJAALO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787566 554004973 /nfs/dbraw/zinc/00/49/73/554004973.db2.gz CLESWMIYSSHFAB-SANMLTNESA-N 1 2 514.116 4.714 50 0 KJAALO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787566 554004968 /nfs/dbraw/zinc/00/49/68/554004968.db2.gz CLESWMIYSSHFAB-SANMLTNESA-N 1 2 514.116 4.714 50 0 KJAALO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787569 554004689 /nfs/dbraw/zinc/00/46/89/554004689.db2.gz CLESWMIYSSHFAB-AREMUKBSSA-N 1 2 514.116 4.714 50 0 KJAALO O=C(Cc1cccs1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787569 554004682 /nfs/dbraw/zinc/00/46/82/554004682.db2.gz CLESWMIYSSHFAB-AREMUKBSSA-N 1 2 514.116 4.714 50 0 KJAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787590 554004677 /nfs/dbraw/zinc/00/46/77/554004677.db2.gz SWDPADAGIKANGB-NDEPHWFRSA-N 1 2 526.077 4.792 50 0 KJAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000034787590 554004674 /nfs/dbraw/zinc/00/46/74/554004674.db2.gz SWDPADAGIKANGB-NDEPHWFRSA-N 1 2 526.077 4.792 50 0 KJAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787593 554004921 /nfs/dbraw/zinc/00/49/21/554004921.db2.gz SWDPADAGIKANGB-MUUNZHRXSA-N 1 2 526.077 4.792 50 0 KJAALO O=C(Cc1ccc(F)cc1)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000034787593 554004917 /nfs/dbraw/zinc/00/49/17/554004917.db2.gz SWDPADAGIKANGB-MUUNZHRXSA-N 1 2 526.077 4.792 50 0 KJAALO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788713 554006236 /nfs/dbraw/zinc/00/62/36/554006236.db2.gz LHRCFGGXJRBESS-NDEPHWFRSA-N 1 2 505.659 4.772 50 0 KJAALO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788713 554006231 /nfs/dbraw/zinc/00/62/31/554006231.db2.gz LHRCFGGXJRBESS-NDEPHWFRSA-N 1 2 505.659 4.772 50 0 KJAALO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788715 554006223 /nfs/dbraw/zinc/00/62/23/554006223.db2.gz LHRCFGGXJRBESS-MUUNZHRXSA-N 1 2 505.659 4.772 50 0 KJAALO CCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788715 554006220 /nfs/dbraw/zinc/00/62/20/554006220.db2.gz LHRCFGGXJRBESS-MUUNZHRXSA-N 1 2 505.659 4.772 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788755 554006175 /nfs/dbraw/zinc/00/61/75/554006175.db2.gz NVGWBTUCNHPKKW-ZEZDXWPOSA-N 1 2 517.670 4.699 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788755 554006170 /nfs/dbraw/zinc/00/61/70/554006170.db2.gz NVGWBTUCNHPKKW-ZEZDXWPOSA-N 1 2 517.670 4.699 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788760 554006356 /nfs/dbraw/zinc/00/63/56/554006356.db2.gz NVGWBTUCNHPKKW-HFASVGIHSA-N 1 2 517.670 4.699 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034788760 554006353 /nfs/dbraw/zinc/00/63/53/554006353.db2.gz NVGWBTUCNHPKKW-HFASVGIHSA-N 1 2 517.670 4.699 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000034788823 554006159 /nfs/dbraw/zinc/00/61/59/554006159.db2.gz COGMTWKMKFIFQS-RUZDIDTESA-N 1 2 513.038 4.864 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000034788823 554006156 /nfs/dbraw/zinc/00/61/56/554006156.db2.gz COGMTWKMKFIFQS-RUZDIDTESA-N 1 2 513.038 4.864 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000034788827 554006281 /nfs/dbraw/zinc/00/62/81/554006281.db2.gz COGMTWKMKFIFQS-VWLOTQADSA-N 1 2 513.038 4.864 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000034788827 554006277 /nfs/dbraw/zinc/00/62/77/554006277.db2.gz COGMTWKMKFIFQS-VWLOTQADSA-N 1 2 513.038 4.864 50 0 KJAALO Cc1ccc(NC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788896 554006189 /nfs/dbraw/zinc/00/61/89/554006189.db2.gz PRGLFWIDHPFHMU-MHZLTWQESA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccc(NC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788896 554006185 /nfs/dbraw/zinc/00/61/85/554006185.db2.gz PRGLFWIDHPFHMU-MHZLTWQESA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccc(NC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788899 554006300 /nfs/dbraw/zinc/00/63/00/554006300.db2.gz PRGLFWIDHPFHMU-HHHXNRCGSA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccc(NC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034788899 554006298 /nfs/dbraw/zinc/00/62/98/554006298.db2.gz PRGLFWIDHPFHMU-HHHXNRCGSA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccccc1NC(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788942 554006650 /nfs/dbraw/zinc/00/66/50/554006650.db2.gz KLHUKSRLAXSBNK-MHZLTWQESA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccccc1NC(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CC1 ZINC000034788942 554006649 /nfs/dbraw/zinc/00/66/49/554006649.db2.gz KLHUKSRLAXSBNK-MHZLTWQESA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccccc1NC(=O)N1CCCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788947 554006679 /nfs/dbraw/zinc/00/66/79/554006679.db2.gz KLHUKSRLAXSBNK-HHHXNRCGSA-N 1 2 506.647 4.910 50 0 KJAALO Cc1ccccc1NC(=O)N1CCCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CC1 ZINC000034788947 554006676 /nfs/dbraw/zinc/00/66/76/554006676.db2.gz KLHUKSRLAXSBNK-HHHXNRCGSA-N 1 2 506.647 4.910 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829642 554012230 /nfs/dbraw/zinc/01/22/30/554012230.db2.gz XEVWTVBIUYVMIN-WINIVTDRSA-N 1 2 524.086 4.731 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829642 554012227 /nfs/dbraw/zinc/01/22/27/554012227.db2.gz XEVWTVBIUYVMIN-WINIVTDRSA-N 1 2 524.086 4.731 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000034829643 554012065 /nfs/dbraw/zinc/01/20/65/554012065.db2.gz XEVWTVBIUYVMIN-PPHZAIPVSA-N 1 2 524.086 4.731 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000034829643 554012061 /nfs/dbraw/zinc/01/20/61/554012061.db2.gz XEVWTVBIUYVMIN-PPHZAIPVSA-N 1 2 524.086 4.731 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000034829665 554012496 /nfs/dbraw/zinc/01/24/96/554012496.db2.gz YYVQOMKVKDVQPK-VPYPWEPUSA-N 1 2 511.732 4.980 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000034829665 554012494 /nfs/dbraw/zinc/01/24/94/554012494.db2.gz YYVQOMKVKDVQPK-VPYPWEPUSA-N 1 2 511.732 4.980 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000034829667 554012504 /nfs/dbraw/zinc/01/25/04/554012504.db2.gz YYVQOMKVKDVQPK-WENCSYSZSA-N 1 2 511.732 4.980 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000034829667 554012501 /nfs/dbraw/zinc/01/25/01/554012501.db2.gz YYVQOMKVKDVQPK-WENCSYSZSA-N 1 2 511.732 4.980 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000034829684 554012627 /nfs/dbraw/zinc/01/26/27/554012627.db2.gz QOTJJZOGZBEEPZ-LGGPFLRQSA-N 1 2 517.695 4.640 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000034829684 554012624 /nfs/dbraw/zinc/01/26/24/554012624.db2.gz QOTJJZOGZBEEPZ-LGGPFLRQSA-N 1 2 517.695 4.640 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000034829685 554012652 /nfs/dbraw/zinc/01/26/52/554012652.db2.gz QOTJJZOGZBEEPZ-PBBNMVCDSA-N 1 2 517.695 4.640 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000034829685 554012649 /nfs/dbraw/zinc/01/26/49/554012649.db2.gz QOTJJZOGZBEEPZ-PBBNMVCDSA-N 1 2 517.695 4.640 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000034829866 554013181 /nfs/dbraw/zinc/01/31/81/554013181.db2.gz ULDPECOIJNHTRZ-DWXRJYCRSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000034829866 554013177 /nfs/dbraw/zinc/01/31/77/554013177.db2.gz ULDPECOIJNHTRZ-DWXRJYCRSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000034829867 554012964 /nfs/dbraw/zinc/01/29/64/554012964.db2.gz ULDPECOIJNHTRZ-QYBDOPJKSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000034829867 554012960 /nfs/dbraw/zinc/01/29/60/554012960.db2.gz ULDPECOIJNHTRZ-QYBDOPJKSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034829868 554013263 /nfs/dbraw/zinc/01/32/63/554013263.db2.gz FRSITMUKKSXEAR-DWXRJYCRSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034829868 554013258 /nfs/dbraw/zinc/01/32/58/554013258.db2.gz FRSITMUKKSXEAR-DWXRJYCRSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034829869 554013212 /nfs/dbraw/zinc/01/32/12/554013212.db2.gz FRSITMUKKSXEAR-QYBDOPJKSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034829869 554013206 /nfs/dbraw/zinc/01/32/06/554013206.db2.gz FRSITMUKKSXEAR-QYBDOPJKSA-N 1 2 512.050 4.861 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829966 554013719 /nfs/dbraw/zinc/01/37/19/554013719.db2.gz YIFYXZPYPXPKJI-DCFHFQCYSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829966 554013716 /nfs/dbraw/zinc/01/37/16/554013716.db2.gz YIFYXZPYPXPKJI-DCFHFQCYSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829967 554013629 /nfs/dbraw/zinc/01/36/29/554013629.db2.gz YIFYXZPYPXPKJI-HRFSGMKKSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829967 554013624 /nfs/dbraw/zinc/01/36/24/554013624.db2.gz YIFYXZPYPXPKJI-HRFSGMKKSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034829968 554013943 /nfs/dbraw/zinc/01/39/43/554013943.db2.gz ZXLCILVQXQKEKX-DCFHFQCYSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034829968 554013939 /nfs/dbraw/zinc/01/39/39/554013939.db2.gz ZXLCILVQXQKEKX-DCFHFQCYSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034829969 554014119 /nfs/dbraw/zinc/01/41/19/554014119.db2.gz ZXLCILVQXQKEKX-HRFSGMKKSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034829969 554014115 /nfs/dbraw/zinc/01/41/15/554014115.db2.gz ZXLCILVQXQKEKX-HRFSGMKKSA-N 1 2 506.647 4.908 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829976 554013933 /nfs/dbraw/zinc/01/39/33/554013933.db2.gz IIYHWCQIZSDOFP-WINIVTDRSA-N 1 2 522.646 4.608 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829976 554013929 /nfs/dbraw/zinc/01/39/29/554013929.db2.gz IIYHWCQIZSDOFP-WINIVTDRSA-N 1 2 522.646 4.608 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829977 554014110 /nfs/dbraw/zinc/01/41/10/554014110.db2.gz IIYHWCQIZSDOFP-PPHZAIPVSA-N 1 2 522.646 4.608 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829977 554014107 /nfs/dbraw/zinc/01/41/07/554014107.db2.gz IIYHWCQIZSDOFP-PPHZAIPVSA-N 1 2 522.646 4.608 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829978 554013922 /nfs/dbraw/zinc/01/39/22/554013922.db2.gz WLRDEZBETMPNGR-WINIVTDRSA-N 1 2 522.646 4.608 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000034829978 554013917 /nfs/dbraw/zinc/01/39/17/554013917.db2.gz WLRDEZBETMPNGR-WINIVTDRSA-N 1 2 522.646 4.608 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829979 554013833 /nfs/dbraw/zinc/01/38/33/554013833.db2.gz WLRDEZBETMPNGR-PPHZAIPVSA-N 1 2 522.646 4.608 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000034829979 554013830 /nfs/dbraw/zinc/01/38/30/554013830.db2.gz WLRDEZBETMPNGR-PPHZAIPVSA-N 1 2 522.646 4.608 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829980 554013969 /nfs/dbraw/zinc/01/39/69/554013969.db2.gz YDGUXYLNCJGVGF-DCFHFQCYSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034829980 554013964 /nfs/dbraw/zinc/01/39/64/554013964.db2.gz YDGUXYLNCJGVGF-DCFHFQCYSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829981 554013910 /nfs/dbraw/zinc/01/39/10/554013910.db2.gz YDGUXYLNCJGVGF-HRFSGMKKSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034829981 554013906 /nfs/dbraw/zinc/01/39/06/554013906.db2.gz YDGUXYLNCJGVGF-HRFSGMKKSA-N 1 2 506.647 4.908 50 0 KJAALO O=C(c1cc(-c2ccccc2)nc2cc(-c3ccccc3)nn21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000034831669 554017280 /nfs/dbraw/zinc/01/72/80/554017280.db2.gz MYFYPQVLYKZENB-UHFFFAOYSA-N 1 2 517.589 4.750 50 0 KJAALO CC(C)(C)c1cc2nc(-c3ccc(F)cc3)cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000034833358 554018335 /nfs/dbraw/zinc/01/83/35/554018335.db2.gz MSRSOLRKWGMBRY-UHFFFAOYSA-N 1 2 515.589 4.520 50 0 KJAALO CC(C)(C)c1cc2nc(-c3ccccc3F)cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2n1 ZINC000034833430 554018263 /nfs/dbraw/zinc/01/82/63/554018263.db2.gz IOFODHLFTIWFKV-UHFFFAOYSA-N 1 2 515.589 4.520 50 0 KJAALO Cc1ccc(C[NH+]2CCN(C(=O)c3cnc(-c4ccc5c(c4)OCO5)nc3Nc3ccccc3)CC2)cc1 ZINC000034921919 554031964 /nfs/dbraw/zinc/03/19/64/554031964.db2.gz HYGLQPCXNOPVFL-UHFFFAOYSA-N 1 2 507.594 4.882 50 0 KJAALO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@H+]21 ZINC000035374577 554045344 /nfs/dbraw/zinc/04/53/44/554045344.db2.gz NMHQKIDTOFABHM-JMBFNUQRSA-N 1 2 515.972 4.802 50 0 KJAALO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]21 ZINC000035374577 554045341 /nfs/dbraw/zinc/04/53/41/554045341.db2.gz NMHQKIDTOFABHM-JMBFNUQRSA-N 1 2 515.972 4.802 50 0 KJAALO Cc1ccc(C)c(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)c1 ZINC000035442311 554054669 /nfs/dbraw/zinc/05/46/69/554054669.db2.gz DYFDTDDCKBIAOX-UHFFFAOYSA-N 1 2 501.656 4.902 50 0 KJAALO COc1cc(CN(C[C@@H]2CCCO2)c2[nH+]cnc3c2cnn3-c2ccccc2Cl)cc(OC)c1OC ZINC000035681867 554062998 /nfs/dbraw/zinc/06/29/98/554062998.db2.gz YAAAUXVVPFJEIW-SFHVURJKSA-N 1 2 509.994 4.680 50 0 KJAALO COc1cc(CN(C[C@H]2CCCO2)c2[nH+]cnc3c2cnn3-c2ccccc2Cl)cc(OC)c1OC ZINC000035681868 554062949 /nfs/dbraw/zinc/06/29/49/554062949.db2.gz YAAAUXVVPFJEIW-GOSISDBHSA-N 1 2 509.994 4.680 50 0 KJAALO COc1cc(CN(C[C@@H]2CCCO2)c2[nH+]cnc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000035681886 554063019 /nfs/dbraw/zinc/06/30/19/554063019.db2.gz ZZVHCOZFCZIXSS-QFIPXVFZSA-N 1 2 503.603 4.644 50 0 KJAALO COc1cc(CN(C[C@H]2CCCO2)c2[nH+]cnc3c2cnn3-c2cc(C)cc(C)c2)cc(OC)c1OC ZINC000035681887 554062959 /nfs/dbraw/zinc/06/29/59/554062959.db2.gz ZZVHCOZFCZIXSS-JOCHJYFZSA-N 1 2 503.603 4.644 50 0 KJAALO CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2ccccc2)C(=O)N(c2ccc(F)cc2)C1=O ZINC000035712690 554067077 /nfs/dbraw/zinc/06/70/77/554067077.db2.gz OEVAIJBMMGGWJY-UHFFFAOYSA-O 1 2 503.941 4.552 50 0 KJAALO CCCc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(Cc2ccccc2)C1=O ZINC000035712740 554067113 /nfs/dbraw/zinc/06/71/13/554067113.db2.gz UXDGQCUSRFMHSP-UHFFFAOYSA-O 1 2 514.005 4.717 50 0 KJAALO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000035768389 554071958 /nfs/dbraw/zinc/07/19/58/554071958.db2.gz LQXDALWLOYHIFA-MHZLTWQESA-N 1 2 503.593 4.938 50 0 KJAALO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(F)cc1)NCC[NH+]1CCOCC1 ZINC000035768390 554071894 /nfs/dbraw/zinc/07/18/94/554071894.db2.gz LQXDALWLOYHIFA-HHHXNRCGSA-N 1 2 503.593 4.938 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000035830114 554079855 /nfs/dbraw/zinc/07/98/55/554079855.db2.gz VVNDTHVSNPMBLA-QYOOZWMWSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000035830114 554079854 /nfs/dbraw/zinc/07/98/54/554079854.db2.gz VVNDTHVSNPMBLA-QYOOZWMWSA-N 1 2 513.981 4.811 50 0 KJAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(OC)cc5)CC4)c32)C1 ZINC000035868024 554085142 /nfs/dbraw/zinc/08/51/42/554085142.db2.gz DZPYLLWGBSSFAE-UHFFFAOYSA-N 1 2 527.694 4.631 50 0 KJAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(OC)cc5)CC4)c32)C1 ZINC000035868024 554085139 /nfs/dbraw/zinc/08/51/39/554085139.db2.gz DZPYLLWGBSSFAE-UHFFFAOYSA-N 1 2 527.694 4.631 50 0 KJAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(C)cc5)CC4)c32)C1 ZINC000035868025 554085100 /nfs/dbraw/zinc/08/51/00/554085100.db2.gz KUGBZOIEHAETIR-UHFFFAOYSA-N 1 2 511.695 4.931 50 0 KJAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccc(C)cc5)CC4)c32)C1 ZINC000035868025 554085097 /nfs/dbraw/zinc/08/50/97/554085097.db2.gz KUGBZOIEHAETIR-UHFFFAOYSA-N 1 2 511.695 4.931 50 0 KJAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccccc5C)CC4)c32)C1 ZINC000035868029 554084963 /nfs/dbraw/zinc/08/49/63/554084963.db2.gz PCFSAWUPEDIJPX-UHFFFAOYSA-N 1 2 511.695 4.931 50 0 KJAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5ccccc5C)CC4)c32)C1 ZINC000035868029 554084961 /nfs/dbraw/zinc/08/49/61/554084961.db2.gz PCFSAWUPEDIJPX-UHFFFAOYSA-N 1 2 511.695 4.931 50 0 KJAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc(F)c5)CC4)c32)C1 ZINC000035868031 554085038 /nfs/dbraw/zinc/08/50/38/554085038.db2.gz XGLBLFWRLDOMAC-UHFFFAOYSA-N 1 2 515.658 4.762 50 0 KJAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc(F)c5)CC4)c32)C1 ZINC000035868031 554085036 /nfs/dbraw/zinc/08/50/36/554085036.db2.gz XGLBLFWRLDOMAC-UHFFFAOYSA-N 1 2 515.658 4.762 50 0 KJAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc(OC)c5)CC4)c32)C1 ZINC000035868033 554084957 /nfs/dbraw/zinc/08/49/57/554084957.db2.gz LGKLTYAKFDBNNQ-UHFFFAOYSA-N 1 2 527.694 4.631 50 0 KJAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cccc(OC)c5)CC4)c32)C1 ZINC000035868033 554084955 /nfs/dbraw/zinc/08/49/55/554084955.db2.gz LGKLTYAKFDBNNQ-UHFFFAOYSA-N 1 2 527.694 4.631 50 0 KJAALO CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868038 554084995 /nfs/dbraw/zinc/08/49/95/554084995.db2.gz WIDTZPCJZFUQLS-UHFFFAOYSA-N 1 2 504.487 4.901 50 0 KJAALO CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(Cl)c(Cl)c4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868038 554084992 /nfs/dbraw/zinc/08/49/92/554084992.db2.gz WIDTZPCJZFUQLS-UHFFFAOYSA-N 1 2 504.487 4.901 50 0 KJAALO CCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc(C(F)(F)F)c4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868039 554085109 /nfs/dbraw/zinc/08/51/09/554085109.db2.gz FKHADJMCDYBXFW-UHFFFAOYSA-N 1 2 503.594 4.613 50 0 KJAALO CCc1nc2sc3c(c2c(N2CCN(C(=O)c4cccc(C(F)(F)F)c4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868039 554085105 /nfs/dbraw/zinc/08/51/05/554085105.db2.gz FKHADJMCDYBXFW-UHFFFAOYSA-N 1 2 503.594 4.613 50 0 KJAALO CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC2)n1)CC[N@H+](CC)C3 ZINC000035868042 554085047 /nfs/dbraw/zinc/08/50/47/554085047.db2.gz QHAZIQKEBHLGEI-UHFFFAOYSA-N 1 2 503.594 4.613 50 0 KJAALO CCc1nc2sc3c(c2c(N2CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC2)n1)CC[N@@H+](CC)C3 ZINC000035868042 554085044 /nfs/dbraw/zinc/08/50/44/554085044.db2.gz QHAZIQKEBHLGEI-UHFFFAOYSA-N 1 2 503.594 4.613 50 0 KJAALO Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)[nH+]c(C)c3Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000035888182 554089288 /nfs/dbraw/zinc/08/92/88/554089288.db2.gz RQKHTYMFMFNNLT-UHFFFAOYSA-N 1 2 504.578 4.522 50 0 KJAALO CCc1c(C)[nH+]c(-c2cccc(C)c2)nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000035891150 554090300 /nfs/dbraw/zinc/09/03/00/554090300.db2.gz QONPSPYSNSLBNZ-UHFFFAOYSA-N 1 2 515.477 4.596 50 0 KJAALO CCc1c(C)[nH+]c(-c2ccc(C)cc2)nc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000035891203 554090415 /nfs/dbraw/zinc/09/04/15/554090415.db2.gz YCUJMXXJRKXTIZ-UHFFFAOYSA-N 1 2 515.477 4.596 50 0 KJAALO COc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ccc(C)cc4)[nH+]c(C)c3Cc3ccccc3)CC2)cc1 ZINC000035891230 554090351 /nfs/dbraw/zinc/09/03/51/554090351.db2.gz VIBFHLKZHGMJHL-UHFFFAOYSA-N 1 2 528.678 4.871 50 0 KJAALO COc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910777 554094577 /nfs/dbraw/zinc/09/45/77/554094577.db2.gz SHRKJBZWXCMWRD-RUZDIDTESA-N 1 2 527.621 4.780 50 0 KJAALO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2c[nH]c3ccccc32)c(OC)c1 ZINC000035910778 554094474 /nfs/dbraw/zinc/09/44/74/554094474.db2.gz SHRKJBZWXCMWRD-VWLOTQADSA-N 1 2 527.621 4.780 50 0 KJAALO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(c3cccc[nH+]3)CC1)nc2-c1ccc(F)cc1 ZINC000035930051 554101783 /nfs/dbraw/zinc/10/17/83/554101783.db2.gz BBEJDACUGZWXPP-UHFFFAOYSA-N 1 2 500.969 4.579 50 0 KJAALO O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000035955855 554107880 /nfs/dbraw/zinc/10/78/80/554107880.db2.gz DUIMXRXLLRFQOZ-FUHWJXTLSA-N 1 2 538.368 4.857 50 0 KJAALO O=C(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl ZINC000035979588 554116883 /nfs/dbraw/zinc/11/68/83/554116883.db2.gz KMAQBVPYWRNRIZ-UHFFFAOYSA-N 1 2 507.849 4.866 50 0 KJAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991578 554124115 /nfs/dbraw/zinc/12/41/15/554124115.db2.gz XJZTYOYKFNUTMR-MHZLTWQESA-N 1 2 535.641 4.657 50 0 KJAALO CCOC(=O)C1=C(C[NH+]2CCC(C(=O)OCC)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000035991579 554124188 /nfs/dbraw/zinc/12/41/88/554124188.db2.gz XJZTYOYKFNUTMR-HHHXNRCGSA-N 1 2 535.641 4.657 50 0 KJAALO O=C(CCN(Cc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000036000637 554127845 /nfs/dbraw/zinc/12/78/45/554127845.db2.gz CFLZBVQSLUUPHU-UHFFFAOYSA-N 1 2 530.072 4.795 50 0 KJAALO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000036006929 554132004 /nfs/dbraw/zinc/13/20/04/554132004.db2.gz HSLQSUSSRCHAPT-QYOOZWMWSA-N 1 2 511.965 4.697 50 0 KJAALO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000036006929 554131999 /nfs/dbraw/zinc/13/19/99/554131999.db2.gz HSLQSUSSRCHAPT-QYOOZWMWSA-N 1 2 511.965 4.697 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036021187 554139554 /nfs/dbraw/zinc/13/95/54/554139554.db2.gz XKALRBKBXSGJSP-HHHXNRCGSA-N 1 2 533.673 4.563 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000036021187 554139552 /nfs/dbraw/zinc/13/95/52/554139552.db2.gz XKALRBKBXSGJSP-HHHXNRCGSA-N 1 2 533.673 4.563 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036021188 554139577 /nfs/dbraw/zinc/13/95/77/554139577.db2.gz XKALRBKBXSGJSP-MHZLTWQESA-N 1 2 533.673 4.563 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000036021188 554139576 /nfs/dbraw/zinc/13/95/76/554139576.db2.gz XKALRBKBXSGJSP-MHZLTWQESA-N 1 2 533.673 4.563 50 0 KJAALO CCOc1ccc(CN(Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036023888 554139969 /nfs/dbraw/zinc/13/99/69/554139969.db2.gz YFODVOHJDQKVKX-UHFFFAOYSA-N 1 2 516.564 4.682 50 0 KJAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3ccc(C(=O)NCC4CC4)cc3)n2)cc1OC ZINC000036026103 554140867 /nfs/dbraw/zinc/14/08/67/554140867.db2.gz MUVXNSDSNZJLSO-UHFFFAOYSA-N 1 2 506.672 4.913 50 0 KJAALO CC[C@@H](C)CN1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027390 554140668 /nfs/dbraw/zinc/14/06/68/554140668.db2.gz BGHLYLFBAQVAMH-JPYJTQIMSA-N 1 2 524.514 4.563 50 0 KJAALO CC[C@H](C)CN1C(=O)[C@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027391 554140745 /nfs/dbraw/zinc/14/07/45/554140745.db2.gz BGHLYLFBAQVAMH-MBSDFSHPSA-N 1 2 524.514 4.563 50 0 KJAALO CC[C@@H](C)CN1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027392 554140767 /nfs/dbraw/zinc/14/07/67/554140767.db2.gz BGHLYLFBAQVAMH-WZONZLPQSA-N 1 2 524.514 4.563 50 0 KJAALO CC[C@H](C)CN1C(=O)[C@@H](Cc2ccccc2)[NH2+]C12CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000036027393 554140698 /nfs/dbraw/zinc/14/06/98/554140698.db2.gz BGHLYLFBAQVAMH-FDDCHVKYSA-N 1 2 524.514 4.563 50 0 KJAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027870 554141016 /nfs/dbraw/zinc/14/10/16/554141016.db2.gz WCUNYCAXEWKICB-KBMIEXCESA-N 1 2 529.081 4.770 50 0 KJAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027871 554141235 /nfs/dbraw/zinc/14/12/35/554141235.db2.gz WCUNYCAXEWKICB-UQBPGWFLSA-N 1 2 529.081 4.770 50 0 KJAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027872 554141187 /nfs/dbraw/zinc/14/11/87/554141187.db2.gz WCUNYCAXEWKICB-CLOONOSVSA-N 1 2 529.081 4.770 50 0 KJAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000036027873 554141013 /nfs/dbraw/zinc/14/10/13/554141013.db2.gz WCUNYCAXEWKICB-DFBJGRDBSA-N 1 2 529.081 4.770 50 0 KJAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036028098 554141462 /nfs/dbraw/zinc/14/14/62/554141462.db2.gz XJACJQUHNWXQGO-AUSIDOKSSA-N 1 2 523.621 4.541 50 0 KJAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036028099 554141489 /nfs/dbraw/zinc/14/14/89/554141489.db2.gz XJACJQUHNWXQGO-WMZHIEFXSA-N 1 2 523.621 4.541 50 0 KJAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036028100 554141453 /nfs/dbraw/zinc/14/14/53/554141453.db2.gz XJACJQUHNWXQGO-XXBNENTESA-N 1 2 523.621 4.541 50 0 KJAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(C)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000036028101 554141377 /nfs/dbraw/zinc/14/13/77/554141377.db2.gz XJACJQUHNWXQGO-CVDCTZTESA-N 1 2 523.621 4.541 50 0 KJAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)[nH+]1 ZINC000036028333 554141386 /nfs/dbraw/zinc/14/13/86/554141386.db2.gz IHWZXCHISQNLKZ-UHFFFAOYSA-N 1 2 505.663 4.937 50 0 KJAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NC3CC3)cc2)[nH+]1 ZINC000036028381 554141512 /nfs/dbraw/zinc/14/15/12/554141512.db2.gz ZWWZUQJVGZMIKM-UHFFFAOYSA-N 1 2 506.672 4.920 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCCC[C@@H]4C)cc(CC)[nH+]3)o2)C1 ZINC000036028506 554141772 /nfs/dbraw/zinc/14/17/72/554141772.db2.gz FNEDCPJMASHION-OALUTQOASA-N 1 2 500.665 4.718 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCCC[C@@H]4C)cc(CC)[nH+]3)o2)C1 ZINC000036028507 554141848 /nfs/dbraw/zinc/14/18/48/554141848.db2.gz FNEDCPJMASHION-RBUKOAKNSA-N 1 2 500.665 4.718 50 0 KJAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)[nH+]1 ZINC000036038506 554146434 /nfs/dbraw/zinc/14/64/34/554146434.db2.gz HOLAMAHCFBGGQF-UHFFFAOYSA-N 1 2 505.663 4.937 50 0 KJAALO CCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NCCOC)c2)[nH+]1 ZINC000036038562 554146875 /nfs/dbraw/zinc/14/68/75/554146875.db2.gz QVTMSVHMPIKTGF-UHFFFAOYSA-N 1 2 526.106 4.688 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2cccc(C(=O)NCc3cccnc3)c2)[nH+]1 ZINC000036038717 554146837 /nfs/dbraw/zinc/14/68/37/554146837.db2.gz ISGFQVVWGWBHQB-UHFFFAOYSA-N 1 2 528.657 4.868 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)[nH+]1 ZINC000036038940 554147464 /nfs/dbraw/zinc/14/74/64/554147464.db2.gz FNFHCLLSYOPXOE-IBGZPJMESA-N 1 2 528.078 4.559 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)[nH+]1 ZINC000036038941 554147413 /nfs/dbraw/zinc/14/74/13/554147413.db2.gz FNFHCLLSYOPXOE-LJQANCHMSA-N 1 2 528.078 4.559 50 0 KJAALO COc1cc2c(cc1OC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041112 554150831 /nfs/dbraw/zinc/15/08/31/554150831.db2.gz SNMLKWZYGOWGSQ-DEOSSOPVSA-N 1 2 501.048 4.744 50 0 KJAALO COc1cc2c(cc1OC)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041112 554150826 /nfs/dbraw/zinc/15/08/26/554150826.db2.gz SNMLKWZYGOWGSQ-DEOSSOPVSA-N 1 2 501.048 4.744 50 0 KJAALO COc1cc2c(cc1OC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)[N@@H+](Cc1ccccc1C)CC2 ZINC000036041113 554150843 /nfs/dbraw/zinc/15/08/43/554150843.db2.gz SNMLKWZYGOWGSQ-XMMPIXPASA-N 1 2 501.048 4.744 50 0 KJAALO COc1cc2c(cc1OC)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)[N@H+](Cc1ccccc1C)CC2 ZINC000036041113 554150839 /nfs/dbraw/zinc/15/08/39/554150839.db2.gz SNMLKWZYGOWGSQ-XMMPIXPASA-N 1 2 501.048 4.744 50 0 KJAALO CC(C)c1cc(N(C)Cc2ccccc2)nc(SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)n1 ZINC000036049779 554156411 /nfs/dbraw/zinc/15/64/11/554156411.db2.gz HSNVTUPVMVKNRS-UHFFFAOYSA-N 1 2 519.715 4.591 50 0 KJAALO CCNC(=O)c1ccc(CSc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)[nH+]2)o1 ZINC000036053877 554159004 /nfs/dbraw/zinc/15/90/04/554159004.db2.gz HVXGOLCVFHZRHN-UHFFFAOYSA-N 1 2 505.566 4.765 50 0 KJAALO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)NC3CC3)o2)[nH+]1 ZINC000036053878 554159017 /nfs/dbraw/zinc/15/90/17/554159017.db2.gz LDOFLHWSGHRPNZ-UHFFFAOYSA-N 1 2 517.577 4.908 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)N3CCOCC3)c2)[nH+]1 ZINC000036059194 554160343 /nfs/dbraw/zinc/16/03/43/554160343.db2.gz OUAJZLWHYKSWBU-UHFFFAOYSA-N 1 2 524.090 4.530 50 0 KJAALO Cc1[nH+]c(SCc2ccc(C(=O)NCC3CC3)cc2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000036064145 554162885 /nfs/dbraw/zinc/16/28/85/554162885.db2.gz QXYGCVRGJBYVLG-UHFFFAOYSA-N 1 2 505.663 4.991 50 0 KJAALO COc1ccc(CCN(C)c2nc(SCc3cccc(C(=O)NC4CC4)c3)[nH+]c(C)c2C)cc1OC ZINC000036064195 554163220 /nfs/dbraw/zinc/16/32/20/554163220.db2.gz YUIQYLAQNMPDHI-UHFFFAOYSA-N 1 2 506.672 4.974 50 0 KJAALO COc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3cccnc3)co2)c(OC)c1 ZINC000036064230 554163507 /nfs/dbraw/zinc/16/35/07/554163507.db2.gz FYKVIXBKQAVBTN-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO COc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3cccnc3)co2)c(OC)c1 ZINC000036064230 554163505 /nfs/dbraw/zinc/16/35/05/554163505.db2.gz FYKVIXBKQAVBTN-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO COc1ccc(OC)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3ccccn3)co2)c1 ZINC000036064241 554163524 /nfs/dbraw/zinc/16/35/24/554163524.db2.gz GBZHNHGTZIAFPR-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO COc1ccc(OC)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3ccccn3)co2)c1 ZINC000036064241 554163522 /nfs/dbraw/zinc/16/35/22/554163522.db2.gz GBZHNHGTZIAFPR-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO COc1ccc(OC)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3cccnc3)co2)c1 ZINC000036064242 554163463 /nfs/dbraw/zinc/16/34/63/554163463.db2.gz QOLCNWSHCUQHAZ-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO COc1ccc(OC)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3cccnc3)co2)c1 ZINC000036064242 554163460 /nfs/dbraw/zinc/16/34/60/554163460.db2.gz QOLCNWSHCUQHAZ-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3cccc(Cl)c3)Cc3cccc(C(F)(F)F)c3)n2)CC1 ZINC000036065324 554164096 /nfs/dbraw/zinc/16/40/96/554164096.db2.gz ILGJQEYVZWGLIN-UHFFFAOYSA-N 1 2 506.956 4.937 50 0 KJAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3cccc(C(F)(F)F)c3)Cc3ccc(F)cc3F)n2)CC1 ZINC000036065449 554164466 /nfs/dbraw/zinc/16/44/66/554164466.db2.gz SHGYDXMOBCJPEH-UHFFFAOYSA-N 1 2 508.491 4.562 50 0 KJAALO Cc1ccc(CN(Cc2nc(C(=O)N3CC[NH+](C)CC3)co2)Cc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000036065541 554164419 /nfs/dbraw/zinc/16/44/19/554164419.db2.gz XZFFTIXVYJUJEW-UHFFFAOYSA-N 1 2 500.565 4.900 50 0 KJAALO COc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3ccco3)co2)c1OC ZINC000036065646 554164529 /nfs/dbraw/zinc/16/45/29/554164529.db2.gz OQHDKKXAOGALKT-UHFFFAOYSA-N 1 2 514.582 4.941 50 0 KJAALO COc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3ccco3)co2)c1OC ZINC000036065646 554164526 /nfs/dbraw/zinc/16/45/26/554164526.db2.gz OQHDKKXAOGALKT-UHFFFAOYSA-N 1 2 514.582 4.941 50 0 KJAALO COc1cccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3cccnc3)co2)c1OC ZINC000036065653 554164541 /nfs/dbraw/zinc/16/45/41/554164541.db2.gz BJVXRVOWJGJMHA-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO COc1cccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3cccnc3)co2)c1OC ZINC000036065653 554164536 /nfs/dbraw/zinc/16/45/36/554164536.db2.gz BJVXRVOWJGJMHA-UHFFFAOYSA-N 1 2 525.609 4.743 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3cccc(F)c3)n2)CC1 ZINC000036065700 554164835 /nfs/dbraw/zinc/16/48/35/554164835.db2.gz KGPBGJYZZGDLDP-UHFFFAOYSA-N 1 2 532.616 4.955 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3cccc(F)c3)n2)CC1 ZINC000036065700 554164833 /nfs/dbraw/zinc/16/48/33/554164833.db2.gz KGPBGJYZZGDLDP-UHFFFAOYSA-N 1 2 532.616 4.955 50 0 KJAALO COCCNC(=O)c1coc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072172 554169615 /nfs/dbraw/zinc/16/96/15/554169615.db2.gz JPQQSADYLILHSE-UHFFFAOYSA-N 1 2 500.521 4.796 50 0 KJAALO COCCNC(=O)c1coc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000036072172 554169613 /nfs/dbraw/zinc/16/96/13/554169613.db2.gz JPQQSADYLILHSE-UHFFFAOYSA-N 1 2 500.521 4.796 50 0 KJAALO O=C(c1coc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1)N1CCOCC1 ZINC000036072183 554169633 /nfs/dbraw/zinc/16/96/33/554169633.db2.gz HHINPLDSSVOGII-UHFFFAOYSA-N 1 2 512.532 4.892 50 0 KJAALO O=C(c1coc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccc(C(F)(F)F)cc2)n1)N1CCOCC1 ZINC000036072183 554169630 /nfs/dbraw/zinc/16/96/30/554169630.db2.gz HHINPLDSSVOGII-UHFFFAOYSA-N 1 2 512.532 4.892 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)CC1 ZINC000036072204 554169621 /nfs/dbraw/zinc/16/96/21/554169621.db2.gz UDFPSINGGQXVPT-UHFFFAOYSA-N 1 2 532.616 4.955 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)CC1 ZINC000036072204 554169619 /nfs/dbraw/zinc/16/96/19/554169619.db2.gz UDFPSINGGQXVPT-UHFFFAOYSA-N 1 2 532.616 4.955 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)C1 ZINC000036072206 554169700 /nfs/dbraw/zinc/16/97/00/554169700.db2.gz LBBHQWZLCZRJSF-HSZRJFAPSA-N 1 2 532.616 4.955 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)C1 ZINC000036072206 554169697 /nfs/dbraw/zinc/16/96/97/554169697.db2.gz LBBHQWZLCZRJSF-HSZRJFAPSA-N 1 2 532.616 4.955 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)C1 ZINC000036072207 554169710 /nfs/dbraw/zinc/16/97/10/554169710.db2.gz LBBHQWZLCZRJSF-QHCPKHFHSA-N 1 2 532.616 4.955 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(F)cc3)n2)C1 ZINC000036072207 554169707 /nfs/dbraw/zinc/16/97/07/554169707.db2.gz LBBHQWZLCZRJSF-QHCPKHFHSA-N 1 2 532.616 4.955 50 0 KJAALO COc1ccccc1C[N@@H+](CCc1c[nH]c2ccccc12)Cc1nc(C(=O)NCCc2ccccn2)co1 ZINC000036072572 554169946 /nfs/dbraw/zinc/16/99/46/554169946.db2.gz BWRVHRYZSKCILJ-UHFFFAOYSA-N 1 2 509.610 4.777 50 0 KJAALO COc1ccccc1C[N@H+](CCc1c[nH]c2ccccc12)Cc1nc(C(=O)NCCc2ccccn2)co1 ZINC000036072572 554169943 /nfs/dbraw/zinc/16/99/43/554169943.db2.gz BWRVHRYZSKCILJ-UHFFFAOYSA-N 1 2 509.610 4.777 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(OC)c3)[C@@H](C)c3ccccc3)n2)C1 ZINC000036073556 554171800 /nfs/dbraw/zinc/17/18/00/554171800.db2.gz GAPISDFEORFRQK-XUZZJYLKSA-N 1 2 505.615 4.862 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(OC)c3)[C@@H](C)c3ccccc3)n2)C1 ZINC000036073556 554171798 /nfs/dbraw/zinc/17/17/98/554171798.db2.gz GAPISDFEORFRQK-XUZZJYLKSA-N 1 2 505.615 4.862 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(OC)c3)[C@@H](C)c3ccccc3)n2)C1 ZINC000036073557 554171643 /nfs/dbraw/zinc/17/16/43/554171643.db2.gz GAPISDFEORFRQK-URXFXBBRSA-N 1 2 505.615 4.862 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(OC)c3)[C@@H](C)c3ccccc3)n2)C1 ZINC000036073557 554171638 /nfs/dbraw/zinc/17/16/38/554171638.db2.gz GAPISDFEORFRQK-URXFXBBRSA-N 1 2 505.615 4.862 50 0 KJAALO Cc1cc(C)cc(OCc2nc(CN(CC[NH+]3CCOCC3)C(=O)c3ccc(Cl)cc3)cs2)c1 ZINC000036105184 554178417 /nfs/dbraw/zinc/17/84/17/554178417.db2.gz VHODOXSMRCLHMN-UHFFFAOYSA-N 1 2 500.064 4.967 50 0 KJAALO Cc1cccc(OCc2nc(CN(CC[NH+]3CCOCC3)C(=O)c3ccc(Cl)cc3)cs2)c1C ZINC000036107143 554178711 /nfs/dbraw/zinc/17/87/11/554178711.db2.gz RPZOFSHLEMCWKP-UHFFFAOYSA-N 1 2 500.064 4.967 50 0 KJAALO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146626 554198117 /nfs/dbraw/zinc/19/81/17/554198117.db2.gz QIBQNQZVOVXALC-PKTZIBPZSA-N 1 2 509.002 4.812 50 0 KJAALO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146626 554198115 /nfs/dbraw/zinc/19/81/15/554198115.db2.gz QIBQNQZVOVXALC-PKTZIBPZSA-N 1 2 509.002 4.812 50 0 KJAALO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146627 554198274 /nfs/dbraw/zinc/19/82/74/554198274.db2.gz QIBQNQZVOVXALC-GOTSBHOMSA-N 1 2 509.002 4.812 50 0 KJAALO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000036146627 554198270 /nfs/dbraw/zinc/19/82/70/554198270.db2.gz QIBQNQZVOVXALC-GOTSBHOMSA-N 1 2 509.002 4.812 50 0 KJAALO C[C@@H]1CCc2c(sc3nc(C[N@H+](Cc4ccccc4)C[C@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000036205011 554200993 /nfs/dbraw/zinc/20/09/93/554200993.db2.gz JIQLOOHNPQYVMI-OFNKIYASSA-N 1 2 503.668 4.689 50 0 KJAALO C[C@@H]1CCc2c(sc3nc(C[N@@H+](Cc4ccccc4)C[C@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000036205011 554200991 /nfs/dbraw/zinc/20/09/91/554200991.db2.gz JIQLOOHNPQYVMI-OFNKIYASSA-N 1 2 503.668 4.689 50 0 KJAALO C[C@H]1CCc2c(sc3nc(C[N@H+](Cc4ccccc4)C[C@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000036205016 554201030 /nfs/dbraw/zinc/20/10/30/554201030.db2.gz JIQLOOHNPQYVMI-REWPJTCUSA-N 1 2 503.668 4.689 50 0 KJAALO C[C@H]1CCc2c(sc3nc(C[N@@H+](Cc4ccccc4)C[C@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000036205016 554201026 /nfs/dbraw/zinc/20/10/26/554201026.db2.gz JIQLOOHNPQYVMI-REWPJTCUSA-N 1 2 503.668 4.689 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@H+](Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206544 554202308 /nfs/dbraw/zinc/20/23/08/554202308.db2.gz YBBWTQHHJIIWSF-OAQYLSRUSA-N 1 2 507.656 4.696 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@@H](O)COCC(C)C)nc(=O)c12 ZINC000036206544 554202306 /nfs/dbraw/zinc/20/23/06/554202306.db2.gz YBBWTQHHJIIWSF-OAQYLSRUSA-N 1 2 507.656 4.696 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@H+](Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206545 554202166 /nfs/dbraw/zinc/20/21/66/554202166.db2.gz YBBWTQHHJIIWSF-NRFANRHFSA-N 1 2 507.656 4.696 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@@H+](Cc3ccccc3)C[C@H](O)COCC(C)C)nc(=O)c12 ZINC000036206545 554202163 /nfs/dbraw/zinc/20/21/63/554202163.db2.gz YBBWTQHHJIIWSF-NRFANRHFSA-N 1 2 507.656 4.696 50 0 KJAALO COCCC[N@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207112 554202042 /nfs/dbraw/zinc/20/20/42/554202042.db2.gz LKRCVXQEIKMMMZ-NRFANRHFSA-N 1 2 507.656 4.547 50 0 KJAALO COCCC[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C[C@H](O)COc1ccccc1 ZINC000036207112 554202039 /nfs/dbraw/zinc/20/20/39/554202039.db2.gz LKRCVXQEIKMMMZ-NRFANRHFSA-N 1 2 507.656 4.547 50 0 KJAALO COCCC[N@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207113 554201992 /nfs/dbraw/zinc/20/19/92/554201992.db2.gz LKRCVXQEIKMMMZ-OAQYLSRUSA-N 1 2 507.656 4.547 50 0 KJAALO COCCC[N@@H+](Cc1nc(=O)c2c(-c3cc(C)ccc3C)csc2[nH]1)C[C@@H](O)COc1ccccc1 ZINC000036207113 554201986 /nfs/dbraw/zinc/20/19/86/554201986.db2.gz LKRCVXQEIKMMMZ-OAQYLSRUSA-N 1 2 507.656 4.547 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207132 554202211 /nfs/dbraw/zinc/20/22/11/554202211.db2.gz CKDXGRJJEPATMQ-SFHVURJKSA-N 1 2 514.047 4.964 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@H+](C[C@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207132 554202208 /nfs/dbraw/zinc/20/22/08/554202208.db2.gz CKDXGRJJEPATMQ-SFHVURJKSA-N 1 2 514.047 4.964 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207133 554201945 /nfs/dbraw/zinc/20/19/45/554201945.db2.gz CKDXGRJJEPATMQ-GOSISDBHSA-N 1 2 514.047 4.964 50 0 KJAALO COc1ccccc1-c1csc2[nH]c(C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3)C(C)C)nc(=O)c12 ZINC000036207133 554201941 /nfs/dbraw/zinc/20/19/41/554201941.db2.gz CKDXGRJJEPATMQ-GOSISDBHSA-N 1 2 514.047 4.964 50 0 KJAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+]([C@@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250583 554210196 /nfs/dbraw/zinc/21/01/96/554210196.db2.gz XHSDSOSVOHVOAB-RUZDIDTESA-N 1 2 500.470 4.895 50 0 KJAALO O=C(c1ccc(Cl)cc1Cl)N1CC[NH+]([C@H](C(=O)N2CCc3ccccc3C2)C2CCCC2)CC1 ZINC000036250585 554210571 /nfs/dbraw/zinc/21/05/71/554210571.db2.gz XHSDSOSVOHVOAB-VWLOTQADSA-N 1 2 500.470 4.895 50 0 KJAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252484 554210624 /nfs/dbraw/zinc/21/06/24/554210624.db2.gz UNKQTYDPRSAADG-XTEPFMGCSA-N 1 2 510.078 4.616 50 0 KJAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252487 554210517 /nfs/dbraw/zinc/21/05/17/554210517.db2.gz UNKQTYDPRSAADG-IXCJQBJRSA-N 1 2 510.078 4.616 50 0 KJAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@H](C(=O)N[C@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252491 554210512 /nfs/dbraw/zinc/21/05/12/554210512.db2.gz UNKQTYDPRSAADG-XCZPVHLTSA-N 1 2 510.078 4.616 50 0 KJAALO O=C(COc1ccc(Cl)cc1)N1CC[NH+]([C@H](C(=O)N[C@@H]2CCCc3ccccc32)C2CCCC2)CC1 ZINC000036252495 554210601 /nfs/dbraw/zinc/21/06/01/554210601.db2.gz UNKQTYDPRSAADG-IAPPQJPRSA-N 1 2 510.078 4.616 50 0 KJAALO COc1ccc(CCNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036255605 554210522 /nfs/dbraw/zinc/21/05/22/554210522.db2.gz ZHGCYDTZROKTTG-RUZDIDTESA-N 1 2 518.485 4.678 50 0 KJAALO COc1ccc(CCNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036255608 554210650 /nfs/dbraw/zinc/21/06/50/554210650.db2.gz ZHGCYDTZROKTTG-VWLOTQADSA-N 1 2 518.485 4.678 50 0 KJAALO COc1ccc(CCNC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000036255611 554210539 /nfs/dbraw/zinc/21/05/39/554210539.db2.gz ZUBCDTUCGRFFHK-RUZDIDTESA-N 1 2 518.485 4.678 50 0 KJAALO COc1ccc(CCNC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000036255613 554210507 /nfs/dbraw/zinc/21/05/07/554210507.db2.gz ZUBCDTUCGRFFHK-VWLOTQADSA-N 1 2 518.485 4.678 50 0 KJAALO COc1ccccc1CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036255668 554210595 /nfs/dbraw/zinc/21/05/95/554210595.db2.gz JNMADWPNONZDDG-NDEPHWFRSA-N 1 2 505.703 4.668 50 0 KJAALO COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000036255669 554210825 /nfs/dbraw/zinc/21/08/25/554210825.db2.gz JNMADWPNONZDDG-MUUNZHRXSA-N 1 2 505.703 4.668 50 0 KJAALO COc1ccccc1CCNC(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036255716 554210910 /nfs/dbraw/zinc/21/09/10/554210910.db2.gz WDHDRYBSYYAOGB-RUZDIDTESA-N 1 2 518.485 4.678 50 0 KJAALO COc1ccccc1CCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036255717 554210950 /nfs/dbraw/zinc/21/09/50/554210950.db2.gz WDHDRYBSYYAOGB-VWLOTQADSA-N 1 2 518.485 4.678 50 0 KJAALO COc1cc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1 ZINC000036311652 554218039 /nfs/dbraw/zinc/21/80/39/554218039.db2.gz QDOFQYQOGLFTEV-XMMPIXPASA-N 1 2 519.564 4.678 50 0 KJAALO COc1cc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1 ZINC000036311653 554218079 /nfs/dbraw/zinc/21/80/79/554218079.db2.gz QDOFQYQOGLFTEV-DEOSSOPVSA-N 1 2 519.564 4.678 50 0 KJAALO COc1cc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1 ZINC000036311654 554218065 /nfs/dbraw/zinc/21/80/65/554218065.db2.gz PYVACTUUFAHTPO-MHZLTWQESA-N 1 2 507.675 4.957 50 0 KJAALO COc1cc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1 ZINC000036311655 554218093 /nfs/dbraw/zinc/21/80/93/554218093.db2.gz PYVACTUUFAHTPO-HHHXNRCGSA-N 1 2 507.675 4.957 50 0 KJAALO COc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC ZINC000036311824 554218146 /nfs/dbraw/zinc/21/81/46/554218146.db2.gz IMNBELCNXTVQDV-MHZLTWQESA-N 1 2 507.675 4.957 50 0 KJAALO COc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1OC ZINC000036311825 554217989 /nfs/dbraw/zinc/21/79/89/554217989.db2.gz IMNBELCNXTVQDV-HHHXNRCGSA-N 1 2 507.675 4.957 50 0 KJAALO O=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036311942 554218418 /nfs/dbraw/zinc/21/84/18/554218418.db2.gz HPDRMKJQBPVNFL-HSZRJFAPSA-N 1 2 504.414 4.677 50 0 KJAALO O=C(Nc1ccc2c(c1)OCO2)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000036311943 554218407 /nfs/dbraw/zinc/21/84/07/554218407.db2.gz HPDRMKJQBPVNFL-QHCPKHFHSA-N 1 2 504.414 4.677 50 0 KJAALO O=C(Nc1ccc2c(c1)OCO2)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036311946 554218568 /nfs/dbraw/zinc/21/85/68/554218568.db2.gz SLDQOYPQAQHCJM-QHCPKHFHSA-N 1 2 504.414 4.677 50 0 KJAALO O=C(Nc1ccc2c(c1)OCO2)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000036311947 554218579 /nfs/dbraw/zinc/21/85/79/554218579.db2.gz SLDQOYPQAQHCJM-HSZRJFAPSA-N 1 2 504.414 4.677 50 0 KJAALO CC(=O)Nc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036311998 554218387 /nfs/dbraw/zinc/21/83/87/554218387.db2.gz IBPLTKPJOQJOKL-XMMPIXPASA-N 1 2 517.457 4.907 50 0 KJAALO CC(=O)Nc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 ZINC000036311999 554218540 /nfs/dbraw/zinc/21/85/40/554218540.db2.gz IBPLTKPJOQJOKL-DEOSSOPVSA-N 1 2 517.457 4.907 50 0 KJAALO Cc1ccc(NC(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1F ZINC000036312062 554218402 /nfs/dbraw/zinc/21/84/02/554218402.db2.gz YIJPGRFPIJKBLA-HSZRJFAPSA-N 1 2 502.428 4.852 50 0 KJAALO Cc1ccc(NC(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(Br)c3)CC2)cc1F ZINC000036312063 554218474 /nfs/dbraw/zinc/21/84/74/554218474.db2.gz YIJPGRFPIJKBLA-QHCPKHFHSA-N 1 2 502.428 4.852 50 0 KJAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)Cc2c(-c3ccccc3)noc2N2CCCC[C@H]2C)cc1 ZINC000036312723 554218481 /nfs/dbraw/zinc/21/84/81/554218481.db2.gz GJIABIUXJQUWRL-HSZRJFAPSA-N 1 2 518.658 4.704 50 0 KJAALO COc1ccc(C(=O)N(CC[NH+]2CCOCC2)Cc2c(-c3ccccc3)noc2N2CCCC[C@@H]2C)cc1 ZINC000036312725 554218488 /nfs/dbraw/zinc/21/84/88/554218488.db2.gz GJIABIUXJQUWRL-QHCPKHFHSA-N 1 2 518.658 4.704 50 0 KJAALO C[C@@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+]1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036312743 554218588 /nfs/dbraw/zinc/21/85/88/554218588.db2.gz HEHNGLSLIRFRNT-JOCHJYFZSA-N 1 2 506.622 4.834 50 0 KJAALO C[C@H]1CCCCN1c1onc(-c2ccccc2)c1CN(CC[NH+]1CCOCC1)C(=O)c1cccc(F)c1 ZINC000036312745 554218504 /nfs/dbraw/zinc/21/85/04/554218504.db2.gz HEHNGLSLIRFRNT-QFIPXVFZSA-N 1 2 506.622 4.834 50 0 KJAALO COc1ccccc1C(=O)N(CC[NH+]1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C ZINC000036312753 554218859 /nfs/dbraw/zinc/21/88/59/554218859.db2.gz GETKZFOWFWGKGY-HSZRJFAPSA-N 1 2 518.658 4.704 50 0 KJAALO COc1ccccc1C(=O)N(CC[NH+]1CCOCC1)Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C ZINC000036312754 554219029 /nfs/dbraw/zinc/21/90/29/554219029.db2.gz GETKZFOWFWGKGY-QHCPKHFHSA-N 1 2 518.658 4.704 50 0 KJAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccccc1)C[C@H](O)C[NH+]1CCOCC1 ZINC000036342156 554221557 /nfs/dbraw/zinc/22/15/57/554221557.db2.gz ZMBIWJFFBSVHSP-MUUNZHRXSA-N 1 2 512.654 4.668 50 0 KJAALO Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1CN(Cc1ccccc1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000036342157 554221637 /nfs/dbraw/zinc/22/16/37/554221637.db2.gz ZMBIWJFFBSVHSP-NDEPHWFRSA-N 1 2 512.654 4.668 50 0 KJAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036370272 554224212 /nfs/dbraw/zinc/22/42/12/554224212.db2.gz YGOKCQWUEUNOHN-MBSDFSHPSA-N 1 2 520.518 4.741 50 0 KJAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036370273 554224317 /nfs/dbraw/zinc/22/43/17/554224317.db2.gz YGOKCQWUEUNOHN-JPYJTQIMSA-N 1 2 520.518 4.741 50 0 KJAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036370274 554224233 /nfs/dbraw/zinc/22/42/33/554224233.db2.gz YGOKCQWUEUNOHN-FDDCHVKYSA-N 1 2 520.518 4.741 50 0 KJAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000036370275 554224353 /nfs/dbraw/zinc/22/43/53/554224353.db2.gz YGOKCQWUEUNOHN-WZONZLPQSA-N 1 2 520.518 4.741 50 0 KJAALO COc1ccc2c(c1)sc1nc(-c3cc(OC)ccc3OC)c(C[NH+]3CCN(C(=O)CC(C)C)CC3)n21 ZINC000037263841 554231315 /nfs/dbraw/zinc/23/13/15/554231315.db2.gz JIRDBRZSNDSMHI-UHFFFAOYSA-N 1 2 522.671 4.932 50 0 KJAALO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000037381579 554237750 /nfs/dbraw/zinc/23/77/50/554237750.db2.gz VAWKZAHLXBAEPH-GDLZYMKVSA-N 1 2 511.666 4.977 50 0 KJAALO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000037381583 554237768 /nfs/dbraw/zinc/23/77/68/554237768.db2.gz VAWKZAHLXBAEPH-LJAQVGFWSA-N 1 2 511.666 4.977 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)[C@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398012 554240330 /nfs/dbraw/zinc/24/03/30/554240330.db2.gz FOXOPUMPFCWBLS-MHZLTWQESA-N 1 2 523.464 4.972 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)[C@@H](c1ccccc1)n1c(Cc2c(Cl)cccc2Cl)nc2ccccc21 ZINC000037398013 554240246 /nfs/dbraw/zinc/24/02/46/554240246.db2.gz FOXOPUMPFCWBLS-HHHXNRCGSA-N 1 2 523.464 4.972 50 0 KJAALO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(Cl)cc3Cl)o2)CC1 ZINC000037428257 554247638 /nfs/dbraw/zinc/24/76/38/554247638.db2.gz XIRGFTMFIKLBCH-PNHLSOANSA-N 1 2 521.470 4.633 50 0 KJAALO CC[NH+]1CCN(C(=O)c2ccc(Cn3c(C)c(C)s/c3=N\C(=O)c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000037428428 554247667 /nfs/dbraw/zinc/24/76/67/554247667.db2.gz QCPKLEMSYHKENM-PNHLSOANSA-N 1 2 521.470 4.633 50 0 KJAALO CC(C)(C)c1ccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3sc(Br)cc32)cc1 ZINC000037542681 554250884 /nfs/dbraw/zinc/25/08/84/554250884.db2.gz VQHFPIMZTSSCAH-UHFFFAOYSA-N 1 2 504.494 4.873 50 0 KJAALO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037588015 554253352 /nfs/dbraw/zinc/25/33/52/554253352.db2.gz YCVBFYFYAVOJKN-UHFFFAOYSA-N 1 2 500.567 4.862 50 0 KJAALO O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000037588022 554253277 /nfs/dbraw/zinc/25/32/77/554253277.db2.gz HDFXYDWHNTZRIH-UHFFFAOYSA-N 1 2 504.530 4.693 50 0 KJAALO O=S(=O)(c1ccc(F)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037588024 554253204 /nfs/dbraw/zinc/25/32/04/554253204.db2.gz WFFCFUXFWRQAEA-UHFFFAOYSA-N 1 2 504.530 4.693 50 0 KJAALO Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3c(F)cccc3F)CC2)cc1 ZINC000037588161 554253179 /nfs/dbraw/zinc/25/31/79/554253179.db2.gz VYWMEIIWRMKFKL-UHFFFAOYSA-N 1 2 500.567 4.862 50 0 KJAALO Cc1cccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037588169 554253286 /nfs/dbraw/zinc/25/32/86/554253286.db2.gz AIWAEEYWTBQWRI-UHFFFAOYSA-N 1 2 500.567 4.862 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000038140397 554263431 /nfs/dbraw/zinc/26/34/31/554263431.db2.gz QIIYAUFUGUBELH-UHFFFAOYSA-N 1 2 536.679 4.573 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000038140397 554263427 /nfs/dbraw/zinc/26/34/27/554263427.db2.gz QIIYAUFUGUBELH-UHFFFAOYSA-N 1 2 536.679 4.573 50 0 KJAALO CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000038140428 554263308 /nfs/dbraw/zinc/26/33/08/554263308.db2.gz YRTXDZKFDAVUBW-UHFFFAOYSA-N 1 2 532.493 4.772 50 0 KJAALO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000038145774 554267789 /nfs/dbraw/zinc/26/77/89/554267789.db2.gz GALSECMVGWTIIH-UHFFFAOYSA-N 1 2 532.493 4.772 50 0 KJAALO O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000038154848 554273610 /nfs/dbraw/zinc/27/36/10/554273610.db2.gz KULUJIKJDQNVTK-UHFFFAOYSA-N 1 2 541.515 4.587 50 0 KJAALO O=S(=O)(Nc1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000038267795 554274712 /nfs/dbraw/zinc/27/47/12/554274712.db2.gz FKXWMMFJHPKYOC-RMKNXTFCSA-N 1 2 520.058 4.919 50 0 KJAALO CCN(CC)c1ccc(C=[NH+]NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)cc1 ZINC000038744983 554275332 /nfs/dbraw/zinc/27/53/32/554275332.db2.gz HECCJXFKDIMKMU-SFBITKCESA-N 1 2 501.606 4.659 50 0 KJAALO CCOc1cc2c(c(F)c1OCC)C(=[NH2+])N(CC(=O)c1cc(N3CCOCC3)c(OC)c(C(C)(C)C)c1)C2 ZINC000038913962 554278341 /nfs/dbraw/zinc/27/83/41/554278341.db2.gz QWKAUGRRIXBIPO-UHFFFAOYSA-N 1 2 527.637 4.790 50 0 investigational KJAALO COc1cc(-c2c3c(N)c(C(=O)Nc4ccccc4)sc3nc3c2C[N@@H+](C)CC3)cc(OC)c1OC ZINC000040570113 554287724 /nfs/dbraw/zinc/28/77/24/554287724.db2.gz KASNVIFPGWMNQU-UHFFFAOYSA-N 1 2 504.612 4.812 50 0 KJAALO COc1cc(-c2c3c(N)c(C(=O)Nc4ccccc4)sc3nc3c2C[N@H+](C)CC3)cc(OC)c1OC ZINC000040570113 554287722 /nfs/dbraw/zinc/28/77/22/554287722.db2.gz KASNVIFPGWMNQU-UHFFFAOYSA-N 1 2 504.612 4.812 50 0 KJAALO O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000041128063 554295899 /nfs/dbraw/zinc/29/58/99/554295899.db2.gz WXBMGCCSWQLWKZ-LJAQVGFWSA-N 1 2 517.004 4.637 50 0 KJAALO O=C(Cn1nc(-c2ccccc2F)ccc1=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000041128065 554295863 /nfs/dbraw/zinc/29/58/63/554295863.db2.gz WXBMGCCSWQLWKZ-GDLZYMKVSA-N 1 2 517.004 4.637 50 0 KJAALO Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1-c1cn2c(C[NH+]3CCOCC3)csc2n1 ZINC000043202455 554298165 /nfs/dbraw/zinc/29/81/65/554298165.db2.gz LAMQVIQMVKWXOC-UHFFFAOYSA-N 1 2 516.652 4.974 50 0 investigational KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727022 554299129 /nfs/dbraw/zinc/29/91/29/554299129.db2.gz REQIYZZZVKWZGF-NDBXHCKUSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727022 554299125 /nfs/dbraw/zinc/29/91/25/554299125.db2.gz REQIYZZZVKWZGF-NDBXHCKUSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727091 554299109 /nfs/dbraw/zinc/29/91/09/554299109.db2.gz MKKQYJCEOADSAI-NDBXHCKUSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727091 554299107 /nfs/dbraw/zinc/29/91/07/554299107.db2.gz MKKQYJCEOADSAI-NDBXHCKUSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1cc(OC)c(OC)cc1OC ZINC000044859745 554305979 /nfs/dbraw/zinc/30/59/79/554305979.db2.gz IFCCHJHXPIOHEY-SANMLTNESA-N 1 2 500.555 4.998 50 0 KJAALO COc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000044859746 554306077 /nfs/dbraw/zinc/30/60/77/554306077.db2.gz IFCCHJHXPIOHEY-AREMUKBSSA-N 1 2 500.555 4.998 50 0 KJAALO CCOc1ccc(-c2nc(CSCC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c(C)o2)cc1 ZINC000049538609 554323377 /nfs/dbraw/zinc/32/33/77/554323377.db2.gz KQAZVKVQOPNDCT-UHFFFAOYSA-N 1 2 529.106 4.874 50 0 KJAALO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000049741682 554324909 /nfs/dbraw/zinc/32/49/09/554324909.db2.gz ZIADLZDJVMGHTJ-LJUDXYAASA-N 1 2 504.011 4.725 50 0 KJAALO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000049741682 554324906 /nfs/dbraw/zinc/32/49/06/554324906.db2.gz ZIADLZDJVMGHTJ-LJUDXYAASA-N 1 2 504.011 4.725 50 0 KJAALO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000049741685 554324876 /nfs/dbraw/zinc/32/48/76/554324876.db2.gz IHVPQZANIGQIKG-LJUDXYAASA-N 1 2 504.011 4.725 50 0 KJAALO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccccc12 ZINC000049741685 554324873 /nfs/dbraw/zinc/32/48/73/554324873.db2.gz IHVPQZANIGQIKG-LJUDXYAASA-N 1 2 504.011 4.725 50 0 KJAALO Cc1[nH+]c2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)N3CCN(c4ccccc4)CC3)n2n1 ZINC000050861783 554328093 /nfs/dbraw/zinc/32/80/93/554328093.db2.gz DKQUMRBCWDVEBB-UHFFFAOYSA-N 1 2 562.703 4.619 50 0 KJAALO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2c4ccc(F)cc4CC[C@@H]2C)cn3C2CC2)CC1 ZINC000051364355 554329426 /nfs/dbraw/zinc/32/94/26/554329426.db2.gz APMUMRLTAHNMRK-SFHVURJKSA-N 1 2 506.597 4.738 50 0 KJAALO CC[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)N2c4ccc(F)cc4CC[C@H]2C)cn3C2CC2)CC1 ZINC000051364356 554329296 /nfs/dbraw/zinc/32/92/96/554329296.db2.gz APMUMRLTAHNMRK-GOSISDBHSA-N 1 2 506.597 4.738 50 0 KJAALO CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Br)cc4)n21)CC[N@H+](C)C3 ZINC000053276035 554330598 /nfs/dbraw/zinc/33/05/98/554330598.db2.gz UPBULUPOZPQOGP-UHFFFAOYSA-N 1 2 520.503 4.786 50 0 KJAALO CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Br)cc4)n21)CC[N@@H+](C)C3 ZINC000053276035 554330593 /nfs/dbraw/zinc/33/05/93/554330593.db2.gz UPBULUPOZPQOGP-UHFFFAOYSA-N 1 2 520.503 4.786 50 0 KJAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cc(F)ccc3F)C2)cc1 ZINC000055041998 554349946 /nfs/dbraw/zinc/34/99/46/554349946.db2.gz AGQJPDZNTPJJAZ-NOZRDPDXSA-N 1 2 508.594 4.673 50 0 KJAALO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cc(F)ccc3F)C2)cc1 ZINC000055041998 554349944 /nfs/dbraw/zinc/34/99/44/554349944.db2.gz AGQJPDZNTPJJAZ-NOZRDPDXSA-N 1 2 508.594 4.673 50 0 KJAALO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1OC[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000055053132 1067163412 /nfs/dbraw/zinc/16/34/12/1067163412.db2.gz UXTCYRNTQQOLKI-XMMPIXPASA-N 1 2 535.088 4.997 50 0 KJAALO COc1ccc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc1OC[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000055053137 1067163217 /nfs/dbraw/zinc/16/32/17/1067163217.db2.gz UXTCYRNTQQOLKI-DEOSSOPVSA-N 1 2 535.088 4.997 50 0 KJAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000057010895 554351654 /nfs/dbraw/zinc/35/16/54/554351654.db2.gz OWQZRRJFITUPSS-UHFFFAOYSA-N 1 2 529.644 4.838 50 0 KJAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058770 554352023 /nfs/dbraw/zinc/35/20/23/554352023.db2.gz RCPZVOQRYJDRTI-OAHLLOKOSA-N 1 2 506.500 4.652 50 0 KJAALO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058772 554352470 /nfs/dbraw/zinc/35/24/70/554352470.db2.gz RCPZVOQRYJDRTI-HNNXBMFYSA-N 1 2 506.500 4.652 50 0 KJAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058919 554352211 /nfs/dbraw/zinc/35/22/11/554352211.db2.gz VDSHNZDCXQFQTO-AWEZNQCLSA-N 1 2 508.928 4.776 50 0 KJAALO COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000057058923 554352462 /nfs/dbraw/zinc/35/24/62/554352462.db2.gz VDSHNZDCXQFQTO-CQSZACIVSA-N 1 2 508.928 4.776 50 0 KJAALO CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000059514072 554401291 /nfs/dbraw/zinc/40/12/91/554401291.db2.gz QOEURHBKKZDZPG-UHFFFAOYSA-N 1 2 510.034 4.645 50 0 KJAALO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c1)c1cc(Cl)ccc1O2 ZINC000059514345 554401243 /nfs/dbraw/zinc/40/12/43/554401243.db2.gz UJXQNLVPKAATFJ-AYWVHJORSA-N 1 2 561.038 4.796 50 0 KJAALO COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523498 554404883 /nfs/dbraw/zinc/40/48/83/554404883.db2.gz QSCCRWXFBGTEGY-FIRIVFDPSA-N 1 2 548.643 4.933 50 0 KJAALO COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523501 554404852 /nfs/dbraw/zinc/40/48/52/554404852.db2.gz QSCCRWXFBGTEGY-JSOSNVBQSA-N 1 2 548.643 4.933 50 0 KJAALO COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523503 554404825 /nfs/dbraw/zinc/40/48/25/554404825.db2.gz QSCCRWXFBGTEGY-IOWSJCHKSA-N 1 2 548.643 4.933 50 0 KJAALO COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc[nH+]4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000059523505 554404834 /nfs/dbraw/zinc/40/48/34/554404834.db2.gz QSCCRWXFBGTEGY-CONSDPRKSA-N 1 2 548.643 4.933 50 0 KJAALO O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059525607 554406504 /nfs/dbraw/zinc/40/65/04/554406504.db2.gz ROWZDAAYQIPPJZ-UHFFFAOYSA-N 1 2 549.494 4.828 50 0 KJAALO CCOC(=O)NCc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1 ZINC000059617189 554413318 /nfs/dbraw/zinc/41/33/18/554413318.db2.gz XUBSXTGFRLPDBK-UHFFFAOYSA-N 1 2 595.674 4.907 50 0 KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)c2cc1OC ZINC000059729413 554426842 /nfs/dbraw/zinc/42/68/42/554426842.db2.gz NVADGRIJZIJNMS-UHFFFAOYSA-N 1 2 577.659 4.788 50 0 KJAALO COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819375 554430931 /nfs/dbraw/zinc/43/09/31/554430931.db2.gz OZRHYBCLMNBSDU-XUZZJYLKSA-N 1 2 559.589 4.527 50 0 KJAALO COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819380 554430942 /nfs/dbraw/zinc/43/09/42/554430942.db2.gz OZRHYBCLMNBSDU-ZJSXRUAMSA-N 1 2 559.589 4.527 50 0 KJAALO COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819383 554431080 /nfs/dbraw/zinc/43/10/80/554431080.db2.gz OZRHYBCLMNBSDU-URXFXBBRSA-N 1 2 559.589 4.527 50 0 KJAALO COc1cc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000059819386 554431007 /nfs/dbraw/zinc/43/10/07/554431007.db2.gz OZRHYBCLMNBSDU-QPPBQGQZSA-N 1 2 559.589 4.527 50 0 KJAALO O=C(Nc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccccc1)c1ccc(Br)cc1 ZINC000059835417 554436799 /nfs/dbraw/zinc/43/67/99/554436799.db2.gz RKGSQTIPUGBNFQ-UHFFFAOYSA-N 1 2 544.453 4.845 50 0 KJAALO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000061943452 554505755 /nfs/dbraw/zinc/50/57/55/554505755.db2.gz BGDFYIBNSIWRMJ-UHFFFAOYSA-N 1 2 518.536 4.523 50 0 KJAALO O=C(C[NH+]1CCN(c2ccccc2F)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000063426897 554508882 /nfs/dbraw/zinc/50/88/82/554508882.db2.gz XCUDOMQIYOPTGX-UHFFFAOYSA-N 1 2 527.596 4.613 50 0 KJAALO CC[NH+](CC)c1ccc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)c(C)c1 ZINC000063437304 554508978 /nfs/dbraw/zinc/50/89/78/554508978.db2.gz UHSMSIOUYXHVGA-UHFFFAOYSA-N 1 2 506.466 4.704 50 0 KJAALO CCCCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000063453816 554509372 /nfs/dbraw/zinc/50/93/72/554509372.db2.gz IFMAVLHXVVKYAC-UHFFFAOYSA-N 1 2 507.606 4.603 50 0 KJAALO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000063480828 554509248 /nfs/dbraw/zinc/50/92/48/554509248.db2.gz XIEHCSSUXHCNBY-UHFFFAOYSA-N 1 2 513.082 4.937 50 0 KJAALO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2S3)CC1 ZINC000063502980 554509704 /nfs/dbraw/zinc/50/97/04/554509704.db2.gz SBKZGSGPYUUDMH-UHFFFAOYSA-N 1 2 507.059 4.917 50 0 KJAALO O=C(C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1)Nc1ccc(Br)cc1 ZINC000063587564 554510210 /nfs/dbraw/zinc/51/02/10/554510210.db2.gz PBUPVRNURYPMMH-UHFFFAOYSA-N 1 2 508.445 4.882 50 0 KJAALO COc1cc(C(=O)N[C@@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663843 554510216 /nfs/dbraw/zinc/51/02/16/554510216.db2.gz CPAVDNWZXPDGEU-BVZFJXPGSA-N 1 2 513.635 4.595 50 0 KJAALO COc1cc(C(=O)N[C@H](C)[C@@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663845 554510203 /nfs/dbraw/zinc/51/02/03/554510203.db2.gz CPAVDNWZXPDGEU-CJAUYULYSA-N 1 2 513.635 4.595 50 0 KJAALO COc1cc(C(=O)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663847 554510011 /nfs/dbraw/zinc/51/00/11/554510011.db2.gz CPAVDNWZXPDGEU-AVRWGWEMSA-N 1 2 513.635 4.595 50 0 KJAALO COc1cc(C(=O)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1OC ZINC000063663849 554509904 /nfs/dbraw/zinc/50/99/04/554509904.db2.gz CPAVDNWZXPDGEU-IQGLISFBSA-N 1 2 513.635 4.595 50 0 KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)cc2s1)NCc1ccccc1 ZINC000064503663 554511415 /nfs/dbraw/zinc/51/14/15/554511415.db2.gz WKRLJPBFROHPMS-UHFFFAOYSA-N 1 2 546.726 4.834 50 0 KJAALO CCOC(=O)CC1=CC(SCC(=O)Nc2cc(OC)c(OC)c(OC)c2)=[NH+]c2cc(C)c(C)cc2N1 ZINC000064869991 554519556 /nfs/dbraw/zinc/51/95/56/554519556.db2.gz BFVHPMPAJUUJEX-UHFFFAOYSA-N 1 2 513.616 4.994 50 0 KJAALO CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000070666038 553597761 /nfs/dbraw/zinc/59/77/61/553597761.db2.gz FOWYGNCDARROFK-XDFJSJKPSA-N 1 2 591.712 4.836 50 0 biogenic KJAALO CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccccc4C(=O)NCC[NH+]4CCOCC4)C(=O)N32)cc1 ZINC000070666039 553597694 /nfs/dbraw/zinc/59/76/94/553597694.db2.gz FOWYGNCDARROFK-CDZUIXILSA-N 1 2 591.712 4.836 50 0 biogenic KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccccc3)c2cc1OC ZINC000070672421 553601939 /nfs/dbraw/zinc/60/19/39/553601939.db2.gz IHNACKDFLXNPGW-SANMLTNESA-N 1 2 591.686 4.652 50 0 biogenic KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)c2cc1OC ZINC000070672424 553601989 /nfs/dbraw/zinc/60/19/89/553601989.db2.gz IHNACKDFLXNPGW-AREMUKBSSA-N 1 2 591.686 4.652 50 0 biogenic KJAALO C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OC[C@H](O)C[NH+]3CCOCC3)c2C(=O)O1 ZINC000070680900 553604579 /nfs/dbraw/zinc/60/45/79/553604579.db2.gz KFWCKUDCAUPUIK-ZOMHIWOFSA-N 1 2 551.680 4.819 50 0 KJAALO C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(OC[C@@H](O)C[NH+]3CCOCC3)c2C(=O)O1 ZINC000070680903 553604634 /nfs/dbraw/zinc/60/46/34/553604634.db2.gz KFWCKUDCAUPUIK-PFPYRSKBSA-N 1 2 551.680 4.819 50 0 KJAALO COc1c2c(cc3c1[C@H](c1nnnn1C(c1ccccc1Cl)c1ccccc1Cl)[N@@H+](C)CC3)OCO2 ZINC000070686678 553605622 /nfs/dbraw/zinc/60/56/22/553605622.db2.gz WNUQNPJMZUDRRZ-HSZRJFAPSA-N 1 2 524.408 4.932 50 0 biogenic KJAALO COc1c2c(cc3c1[C@H](c1nnnn1C(c1ccccc1Cl)c1ccccc1Cl)[N@H+](C)CC3)OCO2 ZINC000070686678 553605620 /nfs/dbraw/zinc/60/56/20/553605620.db2.gz WNUQNPJMZUDRRZ-HSZRJFAPSA-N 1 2 524.408 4.932 50 0 biogenic KJAALO COc1c2c(cc3c1[C@@H](c1nnnn1C(c1ccccc1Cl)c1ccccc1Cl)[N@@H+](C)CC3)OCO2 ZINC000070686680 553605664 /nfs/dbraw/zinc/60/56/64/553605664.db2.gz WNUQNPJMZUDRRZ-QHCPKHFHSA-N 1 2 524.408 4.932 50 0 biogenic KJAALO COc1c2c(cc3c1[C@@H](c1nnnn1C(c1ccccc1Cl)c1ccccc1Cl)[N@H+](C)CC3)OCO2 ZINC000070686680 553605663 /nfs/dbraw/zinc/60/56/63/553605663.db2.gz WNUQNPJMZUDRRZ-QHCPKHFHSA-N 1 2 524.408 4.932 50 0 biogenic KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N3CC[NH+](/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000070699332 553615884 /nfs/dbraw/zinc/61/58/84/553615884.db2.gz BDXBVMGZWRXZNU-RTHBMQBDSA-N 1 2 555.675 4.656 50 0 biogenic KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070699623 553616500 /nfs/dbraw/zinc/61/65/00/553616500.db2.gz ODIIDJFISNHRAN-ZNXVIZGJSA-N 1 2 528.008 4.753 50 0 biogenic KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070699623 553616499 /nfs/dbraw/zinc/61/64/99/553616499.db2.gz ODIIDJFISNHRAN-ZNXVIZGJSA-N 1 2 528.008 4.753 50 0 biogenic KJAALO CCCOc1ccc([C@@H]2CN3C(=O)CN(CCCn4cc[nH+]c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070701056 553620535 /nfs/dbraw/zinc/62/05/35/553620535.db2.gz CGKDLWQKAKURCT-BNHRFMORSA-N 1 2 555.679 4.674 50 0 biogenic KJAALO CCCOc1ccc([C@H]2CN3C(=O)CN(CCCn4cc[nH+]c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC ZINC000070701058 553620562 /nfs/dbraw/zinc/62/05/62/553620562.db2.gz CGKDLWQKAKURCT-QNLPTKCRSA-N 1 2 555.679 4.674 50 0 biogenic KJAALO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000070701415 553621751 /nfs/dbraw/zinc/62/17/51/553621751.db2.gz XEXABDNAKDLJKS-LQBYHZHOSA-N 1 2 558.034 4.680 50 0 biogenic KJAALO COc1ccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000070701415 553621748 /nfs/dbraw/zinc/62/17/48/553621748.db2.gz XEXABDNAKDLJKS-LQBYHZHOSA-N 1 2 558.034 4.680 50 0 biogenic KJAALO O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000071775271 553637046 /nfs/dbraw/zinc/63/70/46/553637046.db2.gz AIHGNIYONFRLKP-HXUWFJFHSA-N 1 2 519.589 4.566 50 0 KJAALO O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000071775272 553637075 /nfs/dbraw/zinc/63/70/75/553637075.db2.gz AIHGNIYONFRLKP-FQEVSTJZSA-N 1 2 519.589 4.566 50 0 KJAALO O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000071775282 553637091 /nfs/dbraw/zinc/63/70/91/553637091.db2.gz ZXSZUBKSMBIADP-LJQANCHMSA-N 1 2 519.589 4.566 50 0 KJAALO O=S(=O)(c1ccc(F)c(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000071775283 553637146 /nfs/dbraw/zinc/63/71/46/553637146.db2.gz ZXSZUBKSMBIADP-IBGZPJMESA-N 1 2 519.589 4.566 50 0 KJAALO O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000071775284 553637152 /nfs/dbraw/zinc/63/71/52/553637152.db2.gz UOCDISNBYWGUCX-OAQYLSRUSA-N 1 2 519.589 4.566 50 0 KJAALO O=S(=O)(c1cc(F)cc(F)c1)c1cnc2ccc(F)cc2c1N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000071775285 553637067 /nfs/dbraw/zinc/63/70/67/553637067.db2.gz UOCDISNBYWGUCX-NRFANRHFSA-N 1 2 519.589 4.566 50 0 KJAALO C[C@@]([NH3+])(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(=O)c-3c2O)cc1 ZINC000072324089 553647946 /nfs/dbraw/zinc/64/79/46/553647946.db2.gz GMRPECMMQVCOST-QRRWFCJLSA-N 1 2 578.621 4.507 50 0 biogenic KJAALO C[C@]([NH3+])(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@H](N)Cc4ccccc4)cc(=O)c-3c2O)cc1 ZINC000072324090 553647892 /nfs/dbraw/zinc/64/78/92/553647892.db2.gz GMRPECMMQVCOST-YJNPBZNESA-N 1 2 578.621 4.507 50 0 biogenic KJAALO C[C@@]([NH3+])(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc(=O)c-3c2O)cc1 ZINC000072324091 553647874 /nfs/dbraw/zinc/64/78/74/553647874.db2.gz GMRPECMMQVCOST-NDOVKIIASA-N 1 2 578.621 4.507 50 0 biogenic KJAALO C[C@]([NH3+])(Cc1ccccc1)C(=O)Oc1ccc(-c2coc3cc(OC(=O)[C@@H](N)Cc4ccccc4)cc(=O)c-3c2O)cc1 ZINC000072324092 553647909 /nfs/dbraw/zinc/64/79/09/553647909.db2.gz GMRPECMMQVCOST-FOPBOCKXSA-N 1 2 578.621 4.507 50 0 biogenic KJAALO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084085977 553676964 /nfs/dbraw/zinc/67/69/64/553676964.db2.gz IMBXNGYXANOVER-XMMPIXPASA-N 1 2 518.585 4.903 50 0 KJAALO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084085979 553676877 /nfs/dbraw/zinc/67/68/77/553676877.db2.gz IMBXNGYXANOVER-DEOSSOPVSA-N 1 2 518.585 4.903 50 0 KJAALO Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 ZINC000084085982 553677280 /nfs/dbraw/zinc/67/72/80/553677280.db2.gz RLSWJOJINVVZKQ-JOCHJYFZSA-N 1 2 518.585 4.903 50 0 KJAALO Cc1cc(C)cc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 ZINC000084085984 553677251 /nfs/dbraw/zinc/67/72/51/553677251.db2.gz RLSWJOJINVVZKQ-QFIPXVFZSA-N 1 2 518.585 4.903 50 0 KJAALO Cc1cccc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084213096 553677297 /nfs/dbraw/zinc/67/72/97/553677297.db2.gz DPQJSIRJVZXGND-HSZRJFAPSA-N 1 2 504.558 4.595 50 0 KJAALO Cc1cccc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCN(c5ccc(F)cc5)CC4)ccc3c2=O)c1 ZINC000084213098 553677266 /nfs/dbraw/zinc/67/72/66/553677266.db2.gz DPQJSIRJVZXGND-QHCPKHFHSA-N 1 2 504.558 4.595 50 0 KJAALO CCC[C@@H](C(=O)NCC[NH+]1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405275 553679734 /nfs/dbraw/zinc/67/97/34/553679734.db2.gz BUFPMHTXOVOHSZ-QFIPXVFZSA-N 1 2 507.437 4.863 50 0 KJAALO CCC[C@H](C(=O)NCC[NH+]1CCOCC1)n1c(Cc2ccccc2F)nc2cc(Cl)c(Cl)cc21 ZINC000085405277 553679678 /nfs/dbraw/zinc/67/96/78/553679678.db2.gz BUFPMHTXOVOHSZ-JOCHJYFZSA-N 1 2 507.437 4.863 50 0 KJAALO COc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2CCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000085410166 553680248 /nfs/dbraw/zinc/68/02/48/553680248.db2.gz DLASMIZUBZRZKG-UHFFFAOYSA-N 1 2 519.045 4.711 50 0 KJAALO CC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(CCC(=O)NCC[NH+]4CCOCC4)n3c2)cc1 ZINC000085420970 553681424 /nfs/dbraw/zinc/68/14/24/553681424.db2.gz GYYXYYFNNZIWCX-UHFFFAOYSA-N 1 2 510.638 4.560 50 0 KJAALO CCCS(=O)(=O)N1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccc(-c4cccc(C)c4)cn32)CC1 ZINC000085422780 553681653 /nfs/dbraw/zinc/68/16/53/553681653.db2.gz NOJIXUKWQUCWKD-UHFFFAOYSA-N 1 2 506.647 4.973 50 0 KJAALO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(S(=O)(=O)CC)CC4)n3c2)c1 ZINC000085422814 553681683 /nfs/dbraw/zinc/68/16/83/553681683.db2.gz XMNQAMBJQCOKED-UHFFFAOYSA-N 1 2 504.656 4.534 50 0 KJAALO CC[C@@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000089948056 553694751 /nfs/dbraw/zinc/69/47/51/553694751.db2.gz RMUUGPXFSWKEQF-QHCPKHFHSA-N 1 2 503.676 4.872 50 0 KJAALO CC[C@H](c1nnc(SCC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000089948057 553694788 /nfs/dbraw/zinc/69/47/88/553694788.db2.gz RMUUGPXFSWKEQF-HSZRJFAPSA-N 1 2 503.676 4.872 50 0 KJAALO Cc1ncc(CN2CC[NH+](Cc3ccccn3)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095472993 553701374 /nfs/dbraw/zinc/70/13/74/553701374.db2.gz JECMLCIZUNYIFS-UHFFFAOYSA-N 1 2 505.416 4.843 50 0 KJAALO Cc1ncc(CN2CC[NH+](Cc3cccnc3)CC2)c2cc(C(=O)c3ccc(Br)cc3)oc21 ZINC000095475421 553701714 /nfs/dbraw/zinc/70/17/14/553701714.db2.gz ZAUNPOQSDLWDLD-UHFFFAOYSA-N 1 2 505.416 4.843 50 0 KJAALO COC(=O)[C@H]1C[N@@H+](CC#Cc2cc(F)cc(F)c2F)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc21 ZINC000095642811 553706626 /nfs/dbraw/zinc/70/66/26/553706626.db2.gz DZJDNKCWKBFGKF-KOSHJBKYSA-N 1 2 524.539 4.786 50 0 KJAALO COC(=O)[C@H]1C[N@H+](CC#Cc2cc(F)cc(F)c2F)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc21 ZINC000095642811 553706625 /nfs/dbraw/zinc/70/66/25/553706625.db2.gz DZJDNKCWKBFGKF-KOSHJBKYSA-N 1 2 524.539 4.786 50 0 KJAALO O=C(NCc1ccc(S(=O)(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)s1)c1ccccc1 ZINC000095739646 553711250 /nfs/dbraw/zinc/71/12/50/553711250.db2.gz MWWPYHHHNJOWCN-UHFFFAOYSA-N 1 2 529.687 4.754 50 0 KJAALO COC(=O)c1cc(-c2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)c(C(F)(F)F)s1 ZINC000095739674 553711342 /nfs/dbraw/zinc/71/13/42/553711342.db2.gz PGLXLKGRMCHYMW-UHFFFAOYSA-N 1 2 524.586 4.727 50 0 KJAALO C[NH+](C)[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 ZINC000095948485 553716125 /nfs/dbraw/zinc/71/61/25/553716125.db2.gz OYEIXGQQHGMEFA-CQSZACIVSA-N 1 2 504.486 4.950 50 0 KJAALO O=C(/C=C/c1ccccc1)Nc1ccc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2ccccc2F)c1 ZINC000096096040 553724005 /nfs/dbraw/zinc/72/40/05/553724005.db2.gz LJNPMJAPOZKTLN-JLHYYAGUSA-N 1 2 526.612 4.543 50 0 KJAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@@H](C)c2ccccc2)C1=O ZINC000096211128 553729933 /nfs/dbraw/zinc/72/99/33/553729933.db2.gz ILWHNAAGUZDDKA-WMZHIEFXSA-N 1 2 523.621 4.794 50 0 KJAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@@H](C)c2ccccc2)C1=O ZINC000096211129 553729958 /nfs/dbraw/zinc/72/99/58/553729958.db2.gz ILWHNAAGUZDDKA-CVDCTZTESA-N 1 2 523.621 4.794 50 0 KJAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000096211130 553729901 /nfs/dbraw/zinc/72/99/01/553729901.db2.gz ILWHNAAGUZDDKA-AUSIDOKSSA-N 1 2 523.621 4.794 50 0 KJAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)N([C@H](C)c2ccccc2)C1=O ZINC000096211131 553729860 /nfs/dbraw/zinc/72/98/60/553729860.db2.gz ILWHNAAGUZDDKA-XXBNENTESA-N 1 2 523.621 4.794 50 0 KJAALO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)c4ccccc4Cl)ccc32)c1 ZINC000096275121 553731916 /nfs/dbraw/zinc/73/19/16/553731916.db2.gz PECLNTMZTKSPDN-UHFFFAOYSA-N 1 2 531.056 4.966 50 0 KJAALO Cc1ccc(C)c(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)c4ccc(F)cc4)ccc32)c1 ZINC000096275149 553731943 /nfs/dbraw/zinc/73/19/43/553731943.db2.gz RSCFBKKEOYVPKO-UHFFFAOYSA-N 1 2 528.628 4.760 50 0 KJAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275297 553732277 /nfs/dbraw/zinc/73/22/77/553732277.db2.gz USJXYYLXVCYYRO-LJAQVGFWSA-N 1 2 511.666 4.977 50 0 KJAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 ZINC000096275298 553732279 /nfs/dbraw/zinc/73/22/79/553732279.db2.gz USJXYYLXVCYYRO-GDLZYMKVSA-N 1 2 511.666 4.977 50 0 KJAALO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275360 553732236 /nfs/dbraw/zinc/73/22/36/553732236.db2.gz DJVASALVTQZJIH-NDEPHWFRSA-N 1 2 515.629 4.808 50 0 KJAALO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(F)cc3)c3ccccc32)cc1 ZINC000096275361 553732267 /nfs/dbraw/zinc/73/22/67/553732267.db2.gz DJVASALVTQZJIH-MUUNZHRXSA-N 1 2 515.629 4.808 50 0 KJAALO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096275543 553732785 /nfs/dbraw/zinc/73/27/85/553732785.db2.gz XMFSRNMYZMNFGV-MHZLTWQESA-N 1 2 515.629 4.808 50 0 KJAALO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCOCC3)c3ccccc3F)c3ccccc32)cc1 ZINC000096275544 553732684 /nfs/dbraw/zinc/73/26/84/553732684.db2.gz XMFSRNMYZMNFGV-HHHXNRCGSA-N 1 2 515.629 4.808 50 0 KJAALO COc1cc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(C)c3ccccc23)ccc1OCc1ccccc1 ZINC000096275548 553732690 /nfs/dbraw/zinc/73/26/90/553732690.db2.gz LUWDGJBPIJNSOR-MHZLTWQESA-N 1 2 527.665 4.736 50 0 KJAALO COc1cc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(C)c3ccccc23)ccc1OCc1ccccc1 ZINC000096275549 553732734 /nfs/dbraw/zinc/73/27/34/553732734.db2.gz LUWDGJBPIJNSOR-HHHXNRCGSA-N 1 2 527.665 4.736 50 0 KJAALO COc1ccc2[nH]cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3cccc(OCc4ccccc4)c3)c2c1 ZINC000096275645 553732716 /nfs/dbraw/zinc/73/27/16/553732716.db2.gz GZJKQTWELXYHPK-MHZLTWQESA-N 1 2 513.638 4.726 50 0 KJAALO COc1ccc2[nH]cc([C@H](CC(=O)NCC[NH+]3CCOCC3)c3cccc(OCc4ccccc4)c3)c2c1 ZINC000096275646 553732756 /nfs/dbraw/zinc/73/27/56/553732756.db2.gz GZJKQTWELXYHPK-HHHXNRCGSA-N 1 2 513.638 4.726 50 0 KJAALO CC(C)(C)c1ccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)c4ccco4)ccc32)cc1 ZINC000096276445 553733327 /nfs/dbraw/zinc/73/33/27/553733327.db2.gz IEVBMGPCFHOHSS-UHFFFAOYSA-N 1 2 528.653 4.894 50 0 KJAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276450 553733288 /nfs/dbraw/zinc/73/32/88/553733288.db2.gz LHLCAUNTTXHDLT-MUUNZHRXSA-N 1 2 515.629 4.808 50 0 KJAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096276451 553733332 /nfs/dbraw/zinc/73/33/32/553733332.db2.gz LHLCAUNTTXHDLT-NDEPHWFRSA-N 1 2 515.629 4.808 50 0 KJAALO Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCC[NH+]4CCOCC4)n3Cc3cccc(C)c3)c2)cc1 ZINC000096276469 553733336 /nfs/dbraw/zinc/73/33/36/553733336.db2.gz XVKUYTDEYSSBCK-UHFFFAOYSA-N 1 2 510.638 4.621 50 0 KJAALO CC(C)C(=O)Nc1ccc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2ccc(C(C)(C)C)cc2)c1 ZINC000096276543 553733323 /nfs/dbraw/zinc/73/33/23/553733323.db2.gz MASFIMZEGUNLQK-UHFFFAOYSA-N 1 2 504.675 4.644 50 0 KJAALO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)CCc4ccccc4)ccc32)c1 ZINC000096276685 553733468 /nfs/dbraw/zinc/73/34/68/553733468.db2.gz BFUGLKIFPKQQEE-UHFFFAOYSA-N 1 2 524.665 4.631 50 0 KJAALO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCOCC3)Cc3ccccc3)c3ccccc32)cc1 ZINC000096277371 553734352 /nfs/dbraw/zinc/73/43/52/553734352.db2.gz HEOATUMOWQFYFG-MHZLTWQESA-N 1 2 511.666 4.863 50 0 KJAALO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)Cc3ccccc3)c3ccccc32)cc1 ZINC000096277372 553734400 /nfs/dbraw/zinc/73/44/00/553734400.db2.gz HEOATUMOWQFYFG-HHHXNRCGSA-N 1 2 511.666 4.863 50 0 KJAALO COc1ccccc1[C@@H](CC(=O)NCC[NH+]1CCOCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096277373 553734380 /nfs/dbraw/zinc/73/43/80/553734380.db2.gz FMZWPXMUNSOWGJ-HHHXNRCGSA-N 1 2 515.629 4.808 50 0 KJAALO COc1ccccc1[C@H](CC(=O)NCC[NH+]1CCOCC1)c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000096277374 553734313 /nfs/dbraw/zinc/73/43/13/553734313.db2.gz FMZWPXMUNSOWGJ-MHZLTWQESA-N 1 2 515.629 4.808 50 0 KJAALO Cc1ccc(C(=O)Nc2ccc3c(cc(C(=O)NCC[NH+]4CCOCC4)n3Cc3cccc(F)c3)c2)cc1C ZINC000096278155 553734581 /nfs/dbraw/zinc/73/45/81/553734581.db2.gz OIIZHYMINUPCSU-UHFFFAOYSA-N 1 2 528.628 4.760 50 0 KJAALO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000096278567 553735139 /nfs/dbraw/zinc/73/51/39/553735139.db2.gz KZPKUDCRWWKXEZ-LJAQVGFWSA-N 1 2 527.665 4.677 50 0 KJAALO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCOCC3)c3ccc(OC)cc3)c3ccccc32)cc1 ZINC000096278568 553735200 /nfs/dbraw/zinc/73/52/00/553735200.db2.gz KZPKUDCRWWKXEZ-GDLZYMKVSA-N 1 2 527.665 4.677 50 0 KJAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096278613 553735157 /nfs/dbraw/zinc/73/51/57/553735157.db2.gz VYFITVUDFDZIFG-MHZLTWQESA-N 1 2 527.665 4.736 50 0 KJAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(C)c3ccccc23)cc1OCc1ccccc1 ZINC000096278614 553735486 /nfs/dbraw/zinc/73/54/86/553735486.db2.gz VYFITVUDFDZIFG-HHHXNRCGSA-N 1 2 527.665 4.736 50 0 KJAALO CN(Cc1ccccc1)c1cc(C(C)(C)C)nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)n1 ZINC000096280098 553736560 /nfs/dbraw/zinc/73/65/60/553736560.db2.gz DGYZGORDHJEBCR-UHFFFAOYSA-N 1 2 533.742 4.765 50 0 KJAALO O=C(c1ccccc1Cl)N1CCc2[nH+]c(N3CCN(c4ccccc4)CC3)nc(N3CCCCC3)c2C1 ZINC000096280935 553736897 /nfs/dbraw/zinc/73/68/97/553736897.db2.gz DAZNBZUDVQFBFT-UHFFFAOYSA-N 1 2 517.077 4.645 50 0 KJAALO COCC[NH+]1CCN(C(=O)c2csc(-c3ccc(OCc4cccc(C(F)(F)F)c4)cc3F)n2)CC1 ZINC000096281637 553737420 /nfs/dbraw/zinc/73/74/20/553737420.db2.gz VPUKGHOPZUHGPV-UHFFFAOYSA-N 1 2 523.552 4.951 50 0 KJAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000096287537 553738892 /nfs/dbraw/zinc/73/88/92/553738892.db2.gz VGZVREMTQNPMMQ-HHHXNRCGSA-N 1 2 527.665 4.677 50 0 KJAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccccc3)c3ccccc23)cc1OC ZINC000096287538 553738887 /nfs/dbraw/zinc/73/88/87/553738887.db2.gz VGZVREMTQNPMMQ-MHZLTWQESA-N 1 2 527.665 4.677 50 0 KJAALO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)NCC[NH+]1CCOCC1 ZINC000096287539 553738855 /nfs/dbraw/zinc/73/88/55/553738855.db2.gz RGAILOKKBDNLHP-SANMLTNESA-N 1 2 503.593 4.938 50 0 KJAALO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F)NCC[NH+]1CCOCC1 ZINC000096287540 553738946 /nfs/dbraw/zinc/73/89/46/553738946.db2.gz RGAILOKKBDNLHP-AREMUKBSSA-N 1 2 503.593 4.938 50 0 KJAALO O=C(Cn1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21)NCC[NH+]1CCOCC1 ZINC000096288732 553740906 /nfs/dbraw/zinc/74/09/06/553740906.db2.gz FVHHROOIIBBTFT-UHFFFAOYSA-N 1 2 516.256 4.689 50 0 KJAALO CCOc1cccc(-c2ccc3nc(-c4ccc(F)cc4)c(C[NH+]4CCN(S(=O)(=O)CC)CC4)n3c2)c1 ZINC000096290347 553743373 /nfs/dbraw/zinc/74/33/73/553743373.db2.gz LFKFCGHDJUAPNW-UHFFFAOYSA-N 1 2 522.646 4.673 50 0 KJAALO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)nc1)NCC[NH+]1CCOCC1 ZINC000096290425 553743600 /nfs/dbraw/zinc/74/36/00/553743600.db2.gz RDSNBTGDSFUIEH-VWLOTQADSA-N 1 2 503.046 4.708 50 0 KJAALO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)nc1)NCC[NH+]1CCOCC1 ZINC000096290426 553743663 /nfs/dbraw/zinc/74/36/63/553743663.db2.gz RDSNBTGDSFUIEH-RUZDIDTESA-N 1 2 503.046 4.708 50 0 KJAALO Cc1cccc(Oc2coc3cc(OC[C@H](O)C[NH+]4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 ZINC000096422181 553754557 /nfs/dbraw/zinc/75/45/57/553754557.db2.gz TZZRNODTWUGIDK-OAQYLSRUSA-N 1 2 504.558 4.595 50 0 KJAALO Cc1cccc(Oc2coc3cc(OC[C@@H](O)C[NH+]4CCN(c5ccccc5F)CC4)ccc3c2=O)c1 ZINC000096422182 553754535 /nfs/dbraw/zinc/75/45/35/553754535.db2.gz TZZRNODTWUGIDK-NRFANRHFSA-N 1 2 504.558 4.595 50 0 KJAALO O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N1CCN(c2nccc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000097940643 553766682 /nfs/dbraw/zinc/76/66/82/553766682.db2.gz DGVXHJLXFYAZDV-UHFFFAOYSA-N 1 2 549.871 4.800 50 0 KJAALO O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N1CCN(c2nccc(-c3ccc(-n4cc[nH+]c4)cc3)n2)CC1 ZINC000097940644 553766786 /nfs/dbraw/zinc/76/67/86/553766786.db2.gz GHUBTEYACPHBAK-UHFFFAOYSA-N 1 2 548.978 4.512 50 0 KJAALO Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000097947560 553787010 /nfs/dbraw/zinc/78/70/10/553787010.db2.gz OZPCEVDEDFPZGJ-ULJHMMPZSA-N 1 2 528.436 4.781 50 0 KJAALO COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000097947703 553788323 /nfs/dbraw/zinc/78/83/23/553788323.db2.gz LZVBCKHVNGNCOR-ANYBSYGZSA-N 1 2 546.631 4.722 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000097951093 553806991 /nfs/dbraw/zinc/80/69/91/553806991.db2.gz JYNRWUAJNOTIRF-HNNXBMFYSA-N 1 2 533.854 4.828 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000097951094 553807042 /nfs/dbraw/zinc/80/70/42/553807042.db2.gz JYNRWUAJNOTIRF-OAHLLOKOSA-N 1 2 533.854 4.828 50 0 KJAALO O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(Br)c(Cl)c1 ZINC000097951371 553808561 /nfs/dbraw/zinc/80/85/61/553808561.db2.gz SHBIECSUXDEXGJ-SFHVURJKSA-N 1 2 517.638 4.863 50 0 KJAALO COc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(OC)cc1Br ZINC000097951499 553809420 /nfs/dbraw/zinc/80/94/20/553809420.db2.gz KFWZNRXAJKHVET-UHFFFAOYSA-N 1 2 531.472 4.562 50 0 KJAALO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952597 553817026 /nfs/dbraw/zinc/81/70/26/553817026.db2.gz IXRHMLKURWCHPQ-MRXNPFEDSA-N 1 2 548.562 4.530 50 0 KJAALO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000097952598 553817048 /nfs/dbraw/zinc/81/70/48/553817048.db2.gz IXRHMLKURWCHPQ-INIZCTEOSA-N 1 2 548.562 4.530 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3sc4c(c3c2=O)CC[N@@H+](C)C4)cc1 ZINC000097952996 553818480 /nfs/dbraw/zinc/81/84/80/553818480.db2.gz GBKBVJYCLSCPRX-UHFFFAOYSA-N 1 2 548.690 4.767 50 0 KJAALO CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc3sc4c(c3c2=O)CC[N@H+](C)C4)cc1 ZINC000097952996 553818479 /nfs/dbraw/zinc/81/84/79/553818479.db2.gz GBKBVJYCLSCPRX-UHFFFAOYSA-N 1 2 548.690 4.767 50 0 KJAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[N@H+](C)C4)cc1 ZINC000097953961 553820470 /nfs/dbraw/zinc/82/04/70/553820470.db2.gz UXJAJZAYVOUJOG-UHFFFAOYSA-N 1 2 527.071 4.828 50 0 KJAALO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[N@@H+](C)C4)cc1 ZINC000097953961 553820469 /nfs/dbraw/zinc/82/04/69/553820469.db2.gz UXJAJZAYVOUJOG-UHFFFAOYSA-N 1 2 527.071 4.828 50 0 KJAALO COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(Cl)cc2)sc2c3CC[N@@H+](C)C2)cc1 ZINC000097953999 553820618 /nfs/dbraw/zinc/82/06/18/553820618.db2.gz ANUWRMUVPDBDLP-UHFFFAOYSA-N 1 2 527.071 4.828 50 0 KJAALO COc1ccc(-n2c(=O)c3c(nc2SCC(=O)Nc2ccc(Cl)cc2)sc2c3CC[N@H+](C)C2)cc1 ZINC000097953999 553820616 /nfs/dbraw/zinc/82/06/16/553820616.db2.gz ANUWRMUVPDBDLP-UHFFFAOYSA-N 1 2 527.071 4.828 50 0 KJAALO CCn1c2nnc(SCC(=O)Nc3ccc(C)cc3)n2c2sc3c(c2c1=O)CC[N@H+](Cc1ccccc1)C3 ZINC000097954199 553821917 /nfs/dbraw/zinc/82/19/17/553821917.db2.gz AMHCIINPQPCGMN-UHFFFAOYSA-N 1 2 544.706 4.723 50 0 KJAALO CCn1c2nnc(SCC(=O)Nc3ccc(C)cc3)n2c2sc3c(c2c1=O)CC[N@@H+](Cc1ccccc1)C3 ZINC000097954199 553821915 /nfs/dbraw/zinc/82/19/15/553821915.db2.gz AMHCIINPQPCGMN-UHFFFAOYSA-N 1 2 544.706 4.723 50 0 KJAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097954628 553824454 /nfs/dbraw/zinc/82/44/54/553824454.db2.gz AKCCIBWMJXTXSV-LJAQVGFWSA-N 1 2 547.055 4.962 50 0 KJAALO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CN1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000097954629 553824410 /nfs/dbraw/zinc/82/44/10/553824410.db2.gz AKCCIBWMJXTXSV-GDLZYMKVSA-N 1 2 547.055 4.962 50 0 KJAALO Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)n3)C[C@@H]2C)cc1 ZINC000097956162 553836274 /nfs/dbraw/zinc/83/62/74/553836274.db2.gz AZDKDFOLQCZWSI-QLUGYHCRSA-N 1 2 605.208 4.739 50 0 KJAALO Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)n3)C[C@H]2C)cc1 ZINC000097956163 553836707 /nfs/dbraw/zinc/83/67/07/553836707.db2.gz AZDKDFOLQCZWSI-UPXASZCJSA-N 1 2 605.208 4.739 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956561 553839750 /nfs/dbraw/zinc/83/97/50/553839750.db2.gz IQUHXFHRBYUFTH-VWUZJACNSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956561 553839747 /nfs/dbraw/zinc/83/97/47/553839747.db2.gz IQUHXFHRBYUFTH-VWUZJACNSA-N 1 2 528.008 4.753 50 0 KJAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963441 553890237 /nfs/dbraw/zinc/89/02/37/553890237.db2.gz KXOAXKOLNSGHMX-UHFFFAOYSA-N 1 2 553.706 4.520 50 0 KJAALO COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963441 553890234 /nfs/dbraw/zinc/89/02/34/553890234.db2.gz KXOAXKOLNSGHMX-UHFFFAOYSA-N 1 2 553.706 4.520 50 0 KJAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000097963451 553890487 /nfs/dbraw/zinc/89/04/87/553890487.db2.gz JRPUUMRNIWLXHY-UHFFFAOYSA-N 1 2 567.733 4.910 50 0 KJAALO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000097963451 553890486 /nfs/dbraw/zinc/89/04/86/553890486.db2.gz JRPUUMRNIWLXHY-UHFFFAOYSA-N 1 2 567.733 4.910 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963452 553890569 /nfs/dbraw/zinc/89/05/69/553890569.db2.gz XQGSNNLJPZKLOQ-UHFFFAOYSA-N 1 2 555.722 4.766 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963452 553890568 /nfs/dbraw/zinc/89/05/68/553890568.db2.gz XQGSNNLJPZKLOQ-UHFFFAOYSA-N 1 2 555.722 4.766 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963456 553890617 /nfs/dbraw/zinc/89/06/17/553890617.db2.gz KLNLFJPECKQSSJ-UHFFFAOYSA-N 1 2 553.706 4.520 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963456 553890615 /nfs/dbraw/zinc/89/06/15/553890615.db2.gz KLNLFJPECKQSSJ-UHFFFAOYSA-N 1 2 553.706 4.520 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963460 553890511 /nfs/dbraw/zinc/89/05/11/553890511.db2.gz FOCGXWGTVGICJR-OYRHEFFESA-N 1 2 597.759 4.533 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963460 553890510 /nfs/dbraw/zinc/89/05/10/553890510.db2.gz FOCGXWGTVGICJR-OYRHEFFESA-N 1 2 597.759 4.533 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963461 553890640 /nfs/dbraw/zinc/89/06/40/553890640.db2.gz FOCGXWGTVGICJR-NHCUHLMSSA-N 1 2 597.759 4.533 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963461 553890638 /nfs/dbraw/zinc/89/06/38/553890638.db2.gz FOCGXWGTVGICJR-NHCUHLMSSA-N 1 2 597.759 4.533 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963462 553890590 /nfs/dbraw/zinc/89/05/90/553890590.db2.gz FOCGXWGTVGICJR-SFTDATJTSA-N 1 2 597.759 4.533 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963462 553890585 /nfs/dbraw/zinc/89/05/85/553890585.db2.gz FOCGXWGTVGICJR-SFTDATJTSA-N 1 2 597.759 4.533 50 0 KJAALO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963475 553890602 /nfs/dbraw/zinc/89/06/02/553890602.db2.gz MCOMUIPEXHBBBV-UHFFFAOYSA-N 1 2 582.792 4.960 50 0 KJAALO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963475 553890597 /nfs/dbraw/zinc/89/05/97/553890597.db2.gz MCOMUIPEXHBBBV-UHFFFAOYSA-N 1 2 582.792 4.960 50 0 KJAALO NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000097963485 553891144 /nfs/dbraw/zinc/89/11/44/553891144.db2.gz WGDBITBNDKECOI-UHFFFAOYSA-N 1 2 586.739 4.799 50 0 KJAALO NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000097963485 553891143 /nfs/dbraw/zinc/89/11/43/553891143.db2.gz WGDBITBNDKECOI-UHFFFAOYSA-N 1 2 586.739 4.799 50 0 KJAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963857 553894820 /nfs/dbraw/zinc/89/48/20/553894820.db2.gz MSNFPGRNUWEBRI-UHFFFAOYSA-N 1 2 568.765 4.729 50 0 KJAALO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NC)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963857 553894816 /nfs/dbraw/zinc/89/48/16/553894816.db2.gz MSNFPGRNUWEBRI-UHFFFAOYSA-N 1 2 568.765 4.729 50 0 KJAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000097963923 553895414 /nfs/dbraw/zinc/89/54/14/553895414.db2.gz GLUBDTZLVXASPG-SBUREZEXSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000097963924 553895404 /nfs/dbraw/zinc/89/54/04/553895404.db2.gz GLUBDTZLVXASPG-HXOBKFHXSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000097963925 553895366 /nfs/dbraw/zinc/89/53/66/553895366.db2.gz GLUBDTZLVXASPG-GAJHUEQPSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2F)CC1 ZINC000097963926 553895372 /nfs/dbraw/zinc/89/53/72/553895372.db2.gz GLUBDTZLVXASPG-UZUQRXQVSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000097963927 553895411 /nfs/dbraw/zinc/89/54/11/553895411.db2.gz HTPPZAFZGKCFFW-SBUREZEXSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000097963928 553895359 /nfs/dbraw/zinc/89/53/59/553895359.db2.gz HTPPZAFZGKCFFW-HXOBKFHXSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000097963929 553895396 /nfs/dbraw/zinc/89/53/96/553895396.db2.gz HTPPZAFZGKCFFW-GAJHUEQPSA-N 1 2 538.508 4.880 50 0 KJAALO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000097963930 553895364 /nfs/dbraw/zinc/89/53/64/553895364.db2.gz HTPPZAFZGKCFFW-UZUQRXQVSA-N 1 2 538.508 4.880 50 0 KJAALO COc1ccc(Nc2nnc(-c3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)c3ccccc32)cc1C(=O)N1CCCCC1 ZINC000097970938 553959455 /nfs/dbraw/zinc/95/94/55/553959455.db2.gz UXNAJJHXMVEOPL-UHFFFAOYSA-N 1 2 614.772 4.920 50 0 KJAALO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000097971451 553962571 /nfs/dbraw/zinc/96/25/71/553962571.db2.gz FGEXAUHMQBIOFZ-UHFFFAOYSA-N 1 2 560.072 4.900 50 0 KJAALO C[NH+]1CCN(C(=O)C[C@@H](c2cccc3cccnc32)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097971937 553964208 /nfs/dbraw/zinc/96/42/08/553964208.db2.gz WBOCVRCHAPVQAK-QHCPKHFHSA-N 1 2 535.600 4.715 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@H](c2cccc3cccnc32)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097971938 553964266 /nfs/dbraw/zinc/96/42/66/553964266.db2.gz WBOCVRCHAPVQAK-HSZRJFAPSA-N 1 2 535.600 4.715 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@@H](c2ccnc3ccccc32)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097971947 553964333 /nfs/dbraw/zinc/96/43/33/553964333.db2.gz WGMDXMMGLCJBMZ-QHCPKHFHSA-N 1 2 535.600 4.715 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@H](c2ccnc3ccccc32)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097971948 553964320 /nfs/dbraw/zinc/96/43/20/553964320.db2.gz WGMDXMMGLCJBMZ-HSZRJFAPSA-N 1 2 535.600 4.715 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@@H](c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)C2=Cc3ccccc3OC2)CC1 ZINC000097971955 553964214 /nfs/dbraw/zinc/96/42/14/553964214.db2.gz NWPLIHJNYNWKJR-HSZRJFAPSA-N 1 2 538.600 4.595 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@H](c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)C2=Cc3ccccc3OC2)CC1 ZINC000097971956 553964250 /nfs/dbraw/zinc/96/42/50/553964250.db2.gz NWPLIHJNYNWKJR-QHCPKHFHSA-N 1 2 538.600 4.595 50 0 biogenic KJAALO CC(C)Oc1ccc([C@@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000097971965 553964714 /nfs/dbraw/zinc/96/47/14/553964714.db2.gz JLMUMOGYQSYOAC-XMMPIXPASA-N 1 2 542.632 4.954 50 0 biogenic KJAALO CC(C)Oc1ccc([C@H](CC(=O)N2CC[NH+](C)CC2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000097971966 553964677 /nfs/dbraw/zinc/96/46/77/553964677.db2.gz JLMUMOGYQSYOAC-DEOSSOPVSA-N 1 2 542.632 4.954 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@@H](c2ccc3ncccc3c2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097972000 553965094 /nfs/dbraw/zinc/96/50/94/553965094.db2.gz HUZUYCCBHFNGKF-QHCPKHFHSA-N 1 2 535.600 4.715 50 0 biogenic KJAALO C[NH+]1CCN(C(=O)C[C@H](c2ccc3ncccc3c2)c2c(O)cc(=O)c3c(O)cc(-c4ccccc4)oc2-3)CC1 ZINC000097972001 553965015 /nfs/dbraw/zinc/96/50/15/553965015.db2.gz HUZUYCCBHFNGKF-HSZRJFAPSA-N 1 2 535.600 4.715 50 0 biogenic KJAALO O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000097980399 553988453 /nfs/dbraw/zinc/98/84/53/553988453.db2.gz JPYZPWLNDZLJON-RHANQZHGSA-N 1 2 592.677 4.988 50 0 KJAALO O=C(NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000097980399 553988448 /nfs/dbraw/zinc/98/84/48/553988448.db2.gz JPYZPWLNDZLJON-RHANQZHGSA-N 1 2 592.677 4.988 50 0 KJAALO COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3[nH+]cccc3C)C2=O)c1 ZINC000097980459 553988766 /nfs/dbraw/zinc/98/87/66/553988766.db2.gz UZRUEOLFZNZYBN-MOHJPFBDSA-N 1 2 540.601 4.839 50 0 KJAALO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000097981474 553994429 /nfs/dbraw/zinc/99/44/29/553994429.db2.gz KPXDVLDLGZQTLI-UHFFFAOYSA-N 1 2 535.666 4.694 50 0 KJAALO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000097981475 553994402 /nfs/dbraw/zinc/99/44/02/553994402.db2.gz VBRUAFYKKVKTBI-UHFFFAOYSA-N 1 2 542.057 4.730 50 0 KJAALO CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC000097981563 553995371 /nfs/dbraw/zinc/99/53/71/553995371.db2.gz UBIVJZZQHBBSCM-UHFFFAOYSA-N 1 2 543.517 4.622 50 0 KJAALO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1C ZINC000097981563 553995366 /nfs/dbraw/zinc/99/53/66/553995366.db2.gz UBIVJZZQHBBSCM-UHFFFAOYSA-N 1 2 543.517 4.622 50 0 KJAALO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000097981566 553995394 /nfs/dbraw/zinc/99/53/94/553995394.db2.gz YKUDEERCFSYYIQ-UHFFFAOYSA-N 1 2 541.645 4.504 50 0 KJAALO CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000097981567 553995439 /nfs/dbraw/zinc/99/54/39/553995439.db2.gz RZHICCXVBRZFCO-UHFFFAOYSA-N 1 2 537.682 4.674 50 0 KJAALO CCOC(=O)c1c(NC(=O)CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)sc(C)c1-c1ccccc1 ZINC000097981568 553995427 /nfs/dbraw/zinc/99/54/27/553995427.db2.gz XZOYYCHMMXUIRG-UHFFFAOYSA-N 1 2 537.682 4.674 50 0 KJAALO CCOC(=O)c1c(C)c(-c2ccccc2)sc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000097981569 553995433 /nfs/dbraw/zinc/99/54/33/553995433.db2.gz VZQNEKZXAJRSNB-UHFFFAOYSA-N 1 2 537.682 4.674 50 0 KJAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3c(Cl)cccc3Cl)c2c(=O)n(C)c1=O ZINC000097987838 554027436 /nfs/dbraw/zinc/02/74/36/554027436.db2.gz VUAWRCDAOSRHOR-UHFFFAOYSA-N 1 2 548.474 4.991 50 0 KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)c1ccc(Br)cc1 ZINC000097995714 554037011 /nfs/dbraw/zinc/03/70/11/554037011.db2.gz QMTZZRNHMZREDU-UHFFFAOYSA-N 1 2 628.578 4.636 50 0 KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2s1)Nc1ccc2c3c(cccc31)CC2 ZINC000097995718 554037020 /nfs/dbraw/zinc/03/70/20/554037020.db2.gz HAFIEXXIJZSBKL-UHFFFAOYSA-N 1 2 640.795 4.881 50 0 KJAALO C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000097996922 554038652 /nfs/dbraw/zinc/03/86/52/554038652.db2.gz QDENVLGVFNWQBW-PSWAGMNNSA-N 1 2 618.756 4.577 50 0 KJAALO C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000097996923 554038712 /nfs/dbraw/zinc/03/87/12/554038712.db2.gz QDENVLGVFNWQBW-ZEQRLZLVSA-N 1 2 618.756 4.577 50 0 KJAALO C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000097996924 554038658 /nfs/dbraw/zinc/03/86/58/554038658.db2.gz QDENVLGVFNWQBW-DNQXCXABSA-N 1 2 618.756 4.577 50 0 KJAALO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(c2nc(N[C@@H](C)c3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000098008985 554068521 /nfs/dbraw/zinc/06/85/21/554068521.db2.gz SROIWCQUQMJGFP-QHCPKHFHSA-N 1 2 570.719 4.749 50 0 KJAALO Cc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(c2nc(N[C@H](C)c3ccccc3)c3ccccc3[nH+]2)CC1 ZINC000098008986 554068503 /nfs/dbraw/zinc/06/85/03/554068503.db2.gz SROIWCQUQMJGFP-HSZRJFAPSA-N 1 2 570.719 4.749 50 0 KJAALO O=C(CCN(CCc1ccccc1)c1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc21)NCC[NH+]1CCOCC1 ZINC000098009847 554071631 /nfs/dbraw/zinc/07/16/31/554071631.db2.gz TWDQESCGIQGGLW-UHFFFAOYSA-N 1 2 562.089 4.977 50 0 KJAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)n2)cc1OC ZINC000098014993 554094898 /nfs/dbraw/zinc/09/48/98/554094898.db2.gz WIPXTQUZGWMQMF-DEOSSOPVSA-N 1 2 536.698 4.682 50 0 KJAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)n2)cc1OC ZINC000098014994 554094794 /nfs/dbraw/zinc/09/47/94/554094794.db2.gz WIPXTQUZGWMQMF-XMMPIXPASA-N 1 2 536.698 4.682 50 0 KJAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)[nH+]1 ZINC000098015013 554094945 /nfs/dbraw/zinc/09/49/45/554094945.db2.gz IHTGVMWDJDPOOX-VWLOTQADSA-N 1 2 550.725 4.936 50 0 KJAALO CCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)[nH+]1 ZINC000098015014 554094929 /nfs/dbraw/zinc/09/49/29/554094929.db2.gz IHTGVMWDJDPOOX-RUZDIDTESA-N 1 2 550.725 4.936 50 0 KJAALO CCc1cc(N2CCN(c3ccccc3F)CC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)o2)[nH+]1 ZINC000098015025 554095143 /nfs/dbraw/zinc/09/51/43/554095143.db2.gz VAPJTHZCDHBOMU-UHFFFAOYSA-N 1 2 546.672 4.758 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(CC)cc(N4CC[NH+](Cc5ccccc5)CC4)n3)o2)CC1 ZINC000098015027 554095226 /nfs/dbraw/zinc/09/52/26/554095226.db2.gz KFSFHEBYRLJSID-UHFFFAOYSA-N 1 2 577.751 4.662 50 0 KJAALO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)NCCc3ccccn3)c2)n1 ZINC000098015032 554095145 /nfs/dbraw/zinc/09/51/45/554095145.db2.gz CLKZKOQEDMUGCS-UHFFFAOYSA-N 1 2 538.721 4.767 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CC[NH+](Cc5ccccc5)CC4)n3)c2)C1 ZINC000098015033 554095120 /nfs/dbraw/zinc/09/51/20/554095120.db2.gz HSMMHPKHRCUGBY-MUUNZHRXSA-N 1 2 573.763 4.815 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(C)cc(N4CC[NH+](Cc5ccccc5)CC4)n3)c2)C1 ZINC000098015034 554095199 /nfs/dbraw/zinc/09/51/99/554095199.db2.gz HSMMHPKHRCUGBY-NDEPHWFRSA-N 1 2 573.763 4.815 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2cccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)c2)CC1 ZINC000098015109 554095812 /nfs/dbraw/zinc/09/58/12/554095812.db2.gz OMKRWJIRAUIVSK-UHFFFAOYSA-N 1 2 577.726 4.958 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)c2)C1 ZINC000098015110 554095770 /nfs/dbraw/zinc/09/57/70/554095770.db2.gz DOGACWYHMKEOIB-RUZDIDTESA-N 1 2 577.726 4.958 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)c2)C1 ZINC000098015111 554095761 /nfs/dbraw/zinc/09/57/61/554095761.db2.gz DOGACWYHMKEOIB-VWLOTQADSA-N 1 2 577.726 4.958 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)[nH+]1 ZINC000098015144 554096191 /nfs/dbraw/zinc/09/61/91/554096191.db2.gz PLYKBXARHTWJGG-UHFFFAOYSA-N 1 2 535.073 4.975 50 0 KJAALO COCCNC(=O)c1ccc(CSc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)[nH+]2)cc1 ZINC000098015205 554096882 /nfs/dbraw/zinc/09/68/82/554096882.db2.gz UMXYLJZOZGVULT-UHFFFAOYSA-N 1 2 545.631 4.799 50 0 KJAALO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)[nH+]1 ZINC000098015212 554096870 /nfs/dbraw/zinc/09/68/70/554096870.db2.gz NBFJHHVSKDZXDC-UHFFFAOYSA-N 1 2 557.642 4.895 50 0 KJAALO CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc(C)[nH+]3)cc2)CC1 ZINC000098015214 554096896 /nfs/dbraw/zinc/09/68/96/554096896.db2.gz XHGNCVOPJRJEGK-UHFFFAOYSA-N 1 2 598.695 4.727 50 0 KJAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)n2)cc1OC ZINC000098015219 554097172 /nfs/dbraw/zinc/09/71/72/554097172.db2.gz WJVWCOVJZVBMHY-DEOSSOPVSA-N 1 2 536.698 4.682 50 0 KJAALO COc1ccc(CCN(C)c2cc(C)[nH+]c(SCc3cccc(C(=O)NC[C@H]4CCCO4)c3)n2)cc1OC ZINC000098015220 554097210 /nfs/dbraw/zinc/09/72/10/554097210.db2.gz WJVWCOVJZVBMHY-XMMPIXPASA-N 1 2 536.698 4.682 50 0 KJAALO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)o2)[nH+]1 ZINC000098015235 554097161 /nfs/dbraw/zinc/09/71/61/554097161.db2.gz YYSOGVBOFSKMMW-NRFANRHFSA-N 1 2 561.630 4.925 50 0 KJAALO Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)o2)[nH+]1 ZINC000098015236 554097204 /nfs/dbraw/zinc/09/72/04/554097204.db2.gz YYSOGVBOFSKMMW-OAQYLSRUSA-N 1 2 561.630 4.925 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)[nH+]1 ZINC000098015276 554097461 /nfs/dbraw/zinc/09/74/61/554097461.db2.gz PTWFSDIUASDEFS-QHCPKHFHSA-N 1 2 538.117 4.966 50 0 KJAALO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)[nH+]1 ZINC000098015277 554097470 /nfs/dbraw/zinc/09/74/70/554097470.db2.gz PTWFSDIUASDEFS-HSZRJFAPSA-N 1 2 538.117 4.966 50 0 KJAALO Cc1[nH+]c(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000098015308 554097792 /nfs/dbraw/zinc/09/77/92/554097792.db2.gz MPZYWSQAYYIAJJ-DEOSSOPVSA-N 1 2 535.689 4.760 50 0 KJAALO Cc1[nH+]c(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000098015309 554097757 /nfs/dbraw/zinc/09/77/57/554097757.db2.gz MPZYWSQAYYIAJJ-XMMPIXPASA-N 1 2 535.689 4.760 50 0 KJAALO COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)N4CCOCC4)cc3)[nH+]c(C)c2C)cc1OC ZINC000098015335 554098102 /nfs/dbraw/zinc/09/81/02/554098102.db2.gz XFDQKEZEEONBPM-UHFFFAOYSA-N 1 2 536.698 4.554 50 0 KJAALO CCNC(=O)c1ccc(CSc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc(C(C)(C)C)n2)cc1 ZINC000098015355 554098500 /nfs/dbraw/zinc/09/85/00/554098500.db2.gz CEORULMCBWJZQD-UHFFFAOYSA-N 1 2 547.725 4.867 50 0 KJAALO CC(C)(C)c1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000098015359 554098585 /nfs/dbraw/zinc/09/85/85/554098585.db2.gz IVJSZBSUGLRKBC-UHFFFAOYSA-N 1 2 589.762 4.590 50 0 KJAALO COc1ccc(CCN(C)c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)NCC[NH+]4CCOCC4)c3)n2)cc1OC ZINC000098015361 554098593 /nfs/dbraw/zinc/09/85/93/554098593.db2.gz HLNCCDJLPDKZJS-UHFFFAOYSA-N 1 2 607.821 4.825 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1cccc(Nc2c(Oc3ccc4c(c3)CCC4)cnn(-c3cccc(Cl)c3)c2=O)c1 ZINC000098015497 554099858 /nfs/dbraw/zinc/09/98/58/554099858.db2.gz IFISEEBJMPWXIO-UHFFFAOYSA-N 1 2 586.092 4.973 50 0 KJAALO COc1ccc(-n2ncc(Oc3cccc(C(C)C)c3)c(Nc3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)c2=O)cc1 ZINC000098015671 554101270 /nfs/dbraw/zinc/10/12/70/554101270.db2.gz SWMJTWCZLAKCFC-UHFFFAOYSA-N 1 2 583.689 4.962 50 0 KJAALO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000098016515 554102123 /nfs/dbraw/zinc/10/21/23/554102123.db2.gz DYXXCYDKIKTDFJ-UHFFFAOYSA-N 1 2 569.447 4.976 50 0 KJAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1ccccc1 ZINC000098017923 554111099 /nfs/dbraw/zinc/11/10/99/554111099.db2.gz KAQJDNVOYJHBTO-UHFFFAOYSA-N 1 2 580.534 4.528 50 0 KJAALO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CCOCC1 ZINC000098020068 554116604 /nfs/dbraw/zinc/11/66/04/554116604.db2.gz VDLIHAHTRFLPHI-UHFFFAOYSA-N 1 2 545.511 4.615 50 0 KJAALO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(=O)N1CCOCC1 ZINC000098020068 554116602 /nfs/dbraw/zinc/11/66/02/554116602.db2.gz VDLIHAHTRFLPHI-UHFFFAOYSA-N 1 2 545.511 4.615 50 0 KJAALO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(Cc2ccccc2Cl)c(C)[nH+]1 ZINC000098021419 554118718 /nfs/dbraw/zinc/11/87/18/554118718.db2.gz LFTRIWWUOTVCJQ-UHFFFAOYSA-N 1 2 535.895 4.611 50 0 KJAALO Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c(C)[nH+]1 ZINC000098021517 554119202 /nfs/dbraw/zinc/11/92/02/554119202.db2.gz HPGLDNAAURMGOE-UHFFFAOYSA-N 1 2 524.996 4.867 50 0 KJAALO COc1cc(C)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2[nH+]ccc3cc(OC)c(OC)cc32)cc1OC ZINC000098043058 554124097 /nfs/dbraw/zinc/12/40/97/554124097.db2.gz JXRGYBPLIMBWND-UHFFFAOYSA-N 1 2 568.648 4.986 50 0 KJAALO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cccc(COc2ccc(Br)cc2)c1 ZINC000098045894 554134460 /nfs/dbraw/zinc/13/44/60/554134460.db2.gz NOAXCXFVEJRKMA-UHFFFAOYSA-N 1 2 535.442 4.962 50 0 KJAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000098046719 554142839 /nfs/dbraw/zinc/14/28/39/554142839.db2.gz ZZKTXZRJBDORBE-OAQYLSRUSA-N 1 2 562.258 4.586 50 0 KJAALO O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000098046720 554142700 /nfs/dbraw/zinc/14/27/00/554142700.db2.gz ZZKTXZRJBDORBE-NRFANRHFSA-N 1 2 562.258 4.586 50 0 KJAALO CCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046729 554143109 /nfs/dbraw/zinc/14/31/09/554143109.db2.gz NEYXMJATAXDYRF-XMMPIXPASA-N 1 2 541.442 4.612 50 0 KJAALO CCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046730 554143206 /nfs/dbraw/zinc/14/32/06/554143206.db2.gz NEYXMJATAXDYRF-DEOSSOPVSA-N 1 2 541.442 4.612 50 0 KJAALO CSc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046735 554143113 /nfs/dbraw/zinc/14/31/13/554143113.db2.gz RLGCUCXXZDCYMM-JOCHJYFZSA-N 1 2 529.456 4.545 50 0 KJAALO CSc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1 ZINC000098046736 554143188 /nfs/dbraw/zinc/14/31/88/554143188.db2.gz RLGCUCXXZDCYMM-QFIPXVFZSA-N 1 2 529.456 4.545 50 0 KJAALO CCCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000098046737 554143199 /nfs/dbraw/zinc/14/31/99/554143199.db2.gz VZKOSMJKWMBPSR-HHHXNRCGSA-N 1 2 538.616 4.777 50 0 KJAALO CCCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+]2CCOCC2)cc1OC ZINC000098046738 554143123 /nfs/dbraw/zinc/14/31/23/554143123.db2.gz VZKOSMJKWMBPSR-MHZLTWQESA-N 1 2 538.616 4.777 50 0 KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CSc3nnc(C)s3)c2cc1OC ZINC000098048350 554161230 /nfs/dbraw/zinc/16/12/30/554161230.db2.gz UDQIKRXJCGFSQE-UHFFFAOYSA-N 1 2 526.640 4.751 50 0 KJAALO O=C(CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000098049458 554166412 /nfs/dbraw/zinc/16/64/12/554166412.db2.gz YEGZSJGQSSSHLC-UHFFFAOYSA-N 1 2 578.964 4.584 50 0 KJAALO CC[NH+](CC)CCn1c(=O)c2ccc(C(=O)N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]c1=S ZINC000098049472 554166318 /nfs/dbraw/zinc/16/63/18/554166318.db2.gz ZJFJQFVBHGSGFC-UHFFFAOYSA-N 1 2 548.631 4.543 50 0 KJAALO C[NH+]1CCN(C(=O)c2ccc(NCc3ccc(F)cc3)c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000098049703 554168214 /nfs/dbraw/zinc/16/82/14/554168214.db2.gz VUXGWZGFVNFJDW-UHFFFAOYSA-N 1 2 550.578 4.645 50 0 KJAALO CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2NCCc2ccc(Cl)cc2)cc1 ZINC000098049717 554168523 /nfs/dbraw/zinc/16/85/23/554168523.db2.gz NCQPKEMNJYJJBN-UHFFFAOYSA-N 1 2 557.116 4.582 50 0 KJAALO COc1ccccc1CNc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1 ZINC000098049734 554168580 /nfs/dbraw/zinc/16/85/80/554168580.db2.gz WBRJUODQNQTGDC-UHFFFAOYSA-N 1 2 562.614 4.515 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Br ZINC000098050626 554175536 /nfs/dbraw/zinc/17/55/36/554175536.db2.gz ISAFKVFJBIHVLU-UHFFFAOYSA-N 1 2 572.183 4.957 50 0 KJAALO O=C1C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000100092133 554212646 /nfs/dbraw/zinc/21/26/46/554212646.db2.gz RUAWAFHLEZCYFW-XMMPIXPASA-N 1 2 540.408 4.766 50 0 KJAALO CCCOc1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000100095833 554216533 /nfs/dbraw/zinc/21/65/33/554216533.db2.gz LTULUFULYHQBDV-MHZLTWQESA-N 1 2 519.592 4.793 50 0 KJAALO O=C1C[C@@H](N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100161514 554235227 /nfs/dbraw/zinc/23/52/27/554235227.db2.gz IFBGLGWKKHMAKD-AOYPEHQESA-N 1 2 585.873 4.984 50 0 KJAALO O=C1C[C@H](N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100161519 554235239 /nfs/dbraw/zinc/23/52/39/554235239.db2.gz IFBGLGWKKHMAKD-AHWVRZQESA-N 1 2 585.873 4.984 50 0 KJAALO O=C1C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100161526 554235214 /nfs/dbraw/zinc/23/52/14/554235214.db2.gz YFUIIYTXBCIQIX-XMMPIXPASA-N 1 2 587.408 4.609 50 0 KJAALO COc1cc2cc[nH+]c(Cc3cc(OC)c(OC)cc3NC(=O)CSc3nc4ccccc4[nH]c3=O)c2cc1OC ZINC000100241184 554260236 /nfs/dbraw/zinc/26/02/36/554260236.db2.gz CZFMOYHCYVIURH-UHFFFAOYSA-N 1 2 572.643 4.827 50 0 KJAALO C=CC1=C(C)/C(=C/C2=[NH+]/C(=C\c3[nH]c(/C=C4/NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)OC)C(CCC(=O)OC)=C2C)NC1=O ZINC000100288982 554282174 /nfs/dbraw/zinc/28/21/74/554282174.db2.gz UYHZQOJAPATOSQ-PXYNETBBSA-N 1 2 610.711 4.983 50 0 KJAALO COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)C(C)(C)[NH3+])c2)c1 ZINC000100472223 554399453 /nfs/dbraw/zinc/39/94/53/554399453.db2.gz QINPEPAQOBZPOF-UHFFFAOYSA-N 1 2 541.033 4.512 50 0 investigational KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000100817669 554478052 /nfs/dbraw/zinc/47/80/52/554478052.db2.gz SRMYMKBZRRDZNF-UHFFFAOYSA-N 1 2 567.733 4.910 50 0 KJAALO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000100817669 554478048 /nfs/dbraw/zinc/47/80/48/554478048.db2.gz SRMYMKBZRRDZNF-UHFFFAOYSA-N 1 2 567.733 4.910 50 0 KJAALO O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@H]1[NH+]1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826603 554482227 /nfs/dbraw/zinc/48/22/27/554482227.db2.gz KKHYPVVPTANLBR-WUFINQPMSA-N 1 2 528.703 4.929 50 0 KJAALO O=S(=O)(N[C@H]1c2cccc3cccc(c23)[C@@H]1[NH+]1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826604 554482242 /nfs/dbraw/zinc/48/22/42/554482242.db2.gz KKHYPVVPTANLBR-NSOVKSMOSA-N 1 2 528.703 4.929 50 0 KJAALO O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@H]1[NH+]1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826605 554482235 /nfs/dbraw/zinc/48/22/35/554482235.db2.gz KKHYPVVPTANLBR-VSGBNLITSA-N 1 2 528.703 4.929 50 0 KJAALO O=S(=O)(N[C@@H]1c2cccc3cccc(c23)[C@@H]1[NH+]1CCN(C(=S)Nc2ccccc2)CC1)c1ccccc1 ZINC000100826607 554482251 /nfs/dbraw/zinc/48/22/51/554482251.db2.gz KKHYPVVPTANLBR-IZLXSDGUSA-N 1 2 528.703 4.929 50 0 KJAALO Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000100833313 554482926 /nfs/dbraw/zinc/48/29/26/554482926.db2.gz YEFFPYMRQMMMGF-ULJHMMPZSA-N 1 2 528.436 4.781 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000100916916 554519981 /nfs/dbraw/zinc/51/99/81/554519981.db2.gz FRCJWUHSOQLHPW-RCRUUEGKSA-N 1 2 581.804 4.923 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000100916916 554519977 /nfs/dbraw/zinc/51/99/77/554519977.db2.gz FRCJWUHSOQLHPW-RCRUUEGKSA-N 1 2 581.804 4.923 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000100916918 554519935 /nfs/dbraw/zinc/51/99/35/554519935.db2.gz FRCJWUHSOQLHPW-CHJDUVSTSA-N 1 2 581.804 4.923 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000100916918 554519931 /nfs/dbraw/zinc/51/99/31/554519931.db2.gz FRCJWUHSOQLHPW-CHJDUVSTSA-N 1 2 581.804 4.923 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000100916925 554519965 /nfs/dbraw/zinc/51/99/65/554519965.db2.gz SOZXPTMKMWYRBL-UVDDSOTQSA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000100916925 554519960 /nfs/dbraw/zinc/51/99/60/554519960.db2.gz SOZXPTMKMWYRBL-UVDDSOTQSA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000100916926 554519970 /nfs/dbraw/zinc/51/99/70/554519970.db2.gz SOZXPTMKMWYRBL-UGDMGKLASA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000100916926 554519969 /nfs/dbraw/zinc/51/99/69/554519969.db2.gz SOZXPTMKMWYRBL-UGDMGKLASA-N 1 2 575.756 4.779 50 0 KJAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000100920729 1066203246 /nfs/dbraw/zinc/20/32/46/1066203246.db2.gz LQKVYLKZZJIVJP-UHFFFAOYSA-N 1 2 540.620 4.710 50 0 KJAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000100920729 1066203232 /nfs/dbraw/zinc/20/32/32/1066203232.db2.gz LQKVYLKZZJIVJP-UHFFFAOYSA-N 1 2 540.620 4.710 50 0 KJAALO Cc1cc(N2CCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)[nH+]1 ZINC000100957725 554540671 /nfs/dbraw/zinc/54/06/71/554540671.db2.gz HAVYJQLKWHAPOS-UHFFFAOYSA-N 1 2 535.411 4.534 50 0 KJAALO Cc1cc(N2CCCCC2)nc(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)[nH+]1 ZINC000100957753 554540625 /nfs/dbraw/zinc/54/06/25/554540625.db2.gz SOTRRPBCOHGXQD-UHFFFAOYSA-N 1 2 549.438 4.924 50 0 KJAALO CCN(CC)c1cc(C)[nH+]c(Nc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)n1 ZINC000100957834 554540911 /nfs/dbraw/zinc/54/09/11/554540911.db2.gz ROLHHOHQAOIQRW-UHFFFAOYSA-N 1 2 537.427 4.780 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000101009223 554557254 /nfs/dbraw/zinc/55/72/54/554557254.db2.gz ICBIICATXHPXBB-HHHXNRCGSA-N 1 2 539.579 4.868 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3cc(F)ccc3F)CC2)c2cccc(OC)c2)cc1 ZINC000101009224 554557224 /nfs/dbraw/zinc/55/72/24/554557224.db2.gz ICBIICATXHPXBB-MHZLTWQESA-N 1 2 539.579 4.868 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000101009320 554557243 /nfs/dbraw/zinc/55/72/43/554557243.db2.gz JWROOCOJDKFCPT-NDEPHWFRSA-N 1 2 552.071 4.921 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)NCc3ccc(OC)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000101009322 554557183 /nfs/dbraw/zinc/55/71/83/554557183.db2.gz JWROOCOJDKFCPT-MUUNZHRXSA-N 1 2 552.071 4.921 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)NCc3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000101010490 554557627 /nfs/dbraw/zinc/55/76/27/554557627.db2.gz ZBXHUKBMDBXYAE-MUUNZHRXSA-N 1 2 552.071 4.921 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)NCc3ccccc3Cl)CC2)c2cccc(OC)c2)cc1 ZINC000101010492 554557664 /nfs/dbraw/zinc/55/76/64/554557664.db2.gz ZBXHUKBMDBXYAE-NDEPHWFRSA-N 1 2 552.071 4.921 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101011020 554557842 /nfs/dbraw/zinc/55/78/42/554557842.db2.gz IQPTWCIWZSHNOD-HHHXNRCGSA-N 1 2 539.579 4.868 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101011023 554557892 /nfs/dbraw/zinc/55/78/92/554557892.db2.gz IQPTWCIWZSHNOD-MHZLTWQESA-N 1 2 539.579 4.868 50 0 KJAALO O=C1C2=C(c3ccc(Br)cc3)[NH2+]N(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101070629 554575036 /nfs/dbraw/zinc/57/50/36/554575036.db2.gz BKUHJRPGJCPZEQ-FPOVZHCZSA-N 1 2 525.200 4.994 50 0 KJAALO C[NH+]1CCN(C(=O)c2coc(CN(Cc3ccc4c(c3)OCO4)Cc3cccc(Oc4ccccc4)c3)n2)CC1 ZINC000101075804 554577237 /nfs/dbraw/zinc/57/72/37/554577237.db2.gz FHFRMRHUMLOMPL-UHFFFAOYSA-N 1 2 540.620 4.786 50 0 KJAALO Cc1cccc(OCc2nc(CN(CC[NH+]3CCOCC3)C(=O)c3cccc(Br)c3)cs2)c1 ZINC000101098016 554585099 /nfs/dbraw/zinc/58/50/99/554585099.db2.gz DUTVSQHLHLLNHS-UHFFFAOYSA-N 1 2 530.488 4.768 50 0 KJAALO Cc1ccccc1OCc1nc(CN(CC[NH+]2CCOCC2)C(=O)c2cccc(Br)c2)cs1 ZINC000101098032 554585138 /nfs/dbraw/zinc/58/51/38/554585138.db2.gz YCJGRGGYZXXFAH-UHFFFAOYSA-N 1 2 530.488 4.768 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101099627 554586403 /nfs/dbraw/zinc/58/64/03/554586403.db2.gz AOIFYMIRSFXXIU-XUJYPJAKSA-N 1 2 541.991 4.705 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101099627 554586401 /nfs/dbraw/zinc/58/64/01/554586401.db2.gz AOIFYMIRSFXXIU-XUJYPJAKSA-N 1 2 541.991 4.705 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101099628 554586386 /nfs/dbraw/zinc/58/63/86/554586386.db2.gz AOIFYMIRSFXXIU-YAOOYPAMSA-N 1 2 541.991 4.705 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101099628 554586384 /nfs/dbraw/zinc/58/63/84/554586384.db2.gz AOIFYMIRSFXXIU-YAOOYPAMSA-N 1 2 541.991 4.705 50 0 KJAALO COCCNC(=O)c1cccc(CSc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(C)[nH+]2)c1 ZINC000101104377 554639676 /nfs/dbraw/zinc/63/96/76/554639676.db2.gz NXPIXLYBUKGNHX-UHFFFAOYSA-N 1 2 545.631 4.799 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101105354 554639977 /nfs/dbraw/zinc/63/99/77/554639977.db2.gz HDSJDKPRQJNMIT-NDBXHCKUSA-N 1 2 547.489 4.588 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101105354 554639974 /nfs/dbraw/zinc/63/99/74/554639974.db2.gz HDSJDKPRQJNMIT-NDBXHCKUSA-N 1 2 547.489 4.588 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101105358 554639929 /nfs/dbraw/zinc/63/99/29/554639929.db2.gz HDSJDKPRQJNMIT-LIONHTAISA-N 1 2 547.489 4.588 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101105358 554639928 /nfs/dbraw/zinc/63/99/28/554639928.db2.gz HDSJDKPRQJNMIT-LIONHTAISA-N 1 2 547.489 4.588 50 0 KJAALO Cc1cc(I)ccc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101127634 554646074 /nfs/dbraw/zinc/64/60/74/554646074.db2.gz CITIXQNBMFPJTO-UHFFFAOYSA-N 1 2 532.447 4.696 50 0 KJAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101133053 554650734 /nfs/dbraw/zinc/65/07/34/554650734.db2.gz DSHVRJVWSJFLAQ-QYOOZWMWSA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101133053 554650732 /nfs/dbraw/zinc/65/07/32/554650732.db2.gz DSHVRJVWSJFLAQ-QYOOZWMWSA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101133057 554650648 /nfs/dbraw/zinc/65/06/48/554650648.db2.gz DSHVRJVWSJFLAQ-QUMGSSFMSA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101133057 554650645 /nfs/dbraw/zinc/65/06/45/554650645.db2.gz DSHVRJVWSJFLAQ-QUMGSSFMSA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101197225 554672296 /nfs/dbraw/zinc/67/22/96/554672296.db2.gz KFBOGCQHWYTUFR-XUJYPJAKSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(CN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101197225 554672293 /nfs/dbraw/zinc/67/22/93/554672293.db2.gz KFBOGCQHWYTUFR-XUJYPJAKSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)ccc4OC)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101197229 554672265 /nfs/dbraw/zinc/67/22/65/554672265.db2.gz KFBOGCQHWYTUFR-YAOOYPAMSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(CN2C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)ccc4OC)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101197229 554672262 /nfs/dbraw/zinc/67/22/62/554672262.db2.gz KFBOGCQHWYTUFR-YAOOYPAMSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101205434 554675359 /nfs/dbraw/zinc/67/53/59/554675359.db2.gz APWLYEYWBQTTAV-YAOOYPAMSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101205434 554675358 /nfs/dbraw/zinc/67/53/58/554675358.db2.gz APWLYEYWBQTTAV-YAOOYPAMSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101205438 554675366 /nfs/dbraw/zinc/67/53/66/554675366.db2.gz APWLYEYWBQTTAV-XUJYPJAKSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101205438 554675363 /nfs/dbraw/zinc/67/53/63/554675363.db2.gz APWLYEYWBQTTAV-XUJYPJAKSA-N 1 2 528.008 4.541 50 0 KJAALO C[N@@H+](CCCN1C(=O)C2C(C(=O)Nc3ccc(Br)cc3)C3C=CC2(O3)C1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205971 554675781 /nfs/dbraw/zinc/67/57/81/554675781.db2.gz KFDGOINRGGKHRC-AXGKCNHXSA-N 1 2 635.603 4.509 50 0 biogenic KJAALO C[N@H+](CCCN1C(=O)C2C(C(=O)Nc3ccc(Br)cc3)C3C=CC2(O3)C1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205971 554675778 /nfs/dbraw/zinc/67/57/78/554675778.db2.gz KFDGOINRGGKHRC-AXGKCNHXSA-N 1 2 635.603 4.509 50 0 biogenic KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224269 554688199 /nfs/dbraw/zinc/68/81/99/554688199.db2.gz ZXHVJWVKXLIFDJ-FQLXRVMXSA-N 1 2 586.714 4.955 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224274 554688180 /nfs/dbraw/zinc/68/81/80/554688180.db2.gz ZXHVJWVKXLIFDJ-WDYNHAJCSA-N 1 2 586.714 4.955 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224281 554688175 /nfs/dbraw/zinc/68/81/75/554688175.db2.gz ZXHVJWVKXLIFDJ-URLMMPGGSA-N 1 2 586.714 4.955 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224287 554688156 /nfs/dbraw/zinc/68/81/56/554688156.db2.gz ZXHVJWVKXLIFDJ-VMPREFPWSA-N 1 2 586.714 4.955 50 0 KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224294 554688201 /nfs/dbraw/zinc/68/82/01/554688201.db2.gz UGIUWNKWXBGMAK-VSGBNLITSA-N 1 2 556.688 4.947 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224301 554688186 /nfs/dbraw/zinc/68/81/86/554688186.db2.gz UGIUWNKWXBGMAK-IZLXSDGUSA-N 1 2 556.688 4.947 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224304 554688211 /nfs/dbraw/zinc/68/82/11/554688211.db2.gz UGIUWNKWXBGMAK-WUFINQPMSA-N 1 2 556.688 4.947 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3nc4ccccc4s3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224308 554688203 /nfs/dbraw/zinc/68/82/03/554688203.db2.gz UGIUWNKWXBGMAK-NSOVKSMOSA-N 1 2 556.688 4.947 50 0 KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224326 554688205 /nfs/dbraw/zinc/68/82/05/554688205.db2.gz UXGQFZNSLMDLKP-VSGBNLITSA-N 1 2 534.056 4.990 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224331 554688190 /nfs/dbraw/zinc/68/81/90/554688190.db2.gz UXGQFZNSLMDLKP-IZLXSDGUSA-N 1 2 534.056 4.990 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224336 554688214 /nfs/dbraw/zinc/68/82/14/554688214.db2.gz UXGQFZNSLMDLKP-WUFINQPMSA-N 1 2 534.056 4.990 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224343 554688149 /nfs/dbraw/zinc/68/81/49/554688149.db2.gz UXGQFZNSLMDLKP-NSOVKSMOSA-N 1 2 534.056 4.990 50 0 KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224354 554688194 /nfs/dbraw/zinc/68/81/94/554688194.db2.gz LMURIHVRMSORCY-FQLXRVMXSA-N 1 2 564.082 4.999 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224357 554688165 /nfs/dbraw/zinc/68/81/65/554688165.db2.gz LMURIHVRMSORCY-WDYNHAJCSA-N 1 2 564.082 4.999 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224360 554688394 /nfs/dbraw/zinc/68/83/94/554688394.db2.gz LMURIHVRMSORCY-URLMMPGGSA-N 1 2 564.082 4.999 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224363 554688355 /nfs/dbraw/zinc/68/83/55/554688355.db2.gz LMURIHVRMSORCY-VMPREFPWSA-N 1 2 564.082 4.999 50 0 KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224446 554688335 /nfs/dbraw/zinc/68/83/35/554688335.db2.gz HEXOJDXWYMELFF-ROJLCIKYSA-N 1 2 603.163 4.700 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224453 554688405 /nfs/dbraw/zinc/68/84/05/554688405.db2.gz HEXOJDXWYMELFF-ZWXJPIIXSA-N 1 2 603.163 4.700 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224458 554688435 /nfs/dbraw/zinc/68/84/35/554688435.db2.gz HEXOJDXWYMELFF-AJQTZOPKSA-N 1 2 603.163 4.700 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224462 554688424 /nfs/dbraw/zinc/68/84/24/554688424.db2.gz HEXOJDXWYMELFF-ACHIHNKUSA-N 1 2 603.163 4.700 50 0 KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224488 554688453 /nfs/dbraw/zinc/68/84/53/554688453.db2.gz JBDPIIODDGHUAU-LOYHVIPDSA-N 1 2 543.664 4.736 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224493 554688340 /nfs/dbraw/zinc/68/83/40/554688340.db2.gz JBDPIIODDGHUAU-IHLOFXLRSA-N 1 2 543.664 4.736 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224497 554688314 /nfs/dbraw/zinc/68/83/14/554688314.db2.gz JBDPIIODDGHUAU-XZWHSSHBSA-N 1 2 543.664 4.736 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3OCC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224500 554688365 /nfs/dbraw/zinc/68/83/65/554688365.db2.gz JBDPIIODDGHUAU-KYJUHHDHSA-N 1 2 543.664 4.736 50 0 KJAALO CCOc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224503 554688686 /nfs/dbraw/zinc/68/86/86/554688686.db2.gz QAEODONKAWXAEZ-LOYHVIPDSA-N 1 2 543.664 4.654 50 0 KJAALO CCOc1ccc([C@H]2[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224507 554688712 /nfs/dbraw/zinc/68/87/12/554688712.db2.gz QAEODONKAWXAEZ-IHLOFXLRSA-N 1 2 543.664 4.654 50 0 KJAALO CCOc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224511 554688692 /nfs/dbraw/zinc/68/86/92/554688692.db2.gz QAEODONKAWXAEZ-XZWHSSHBSA-N 1 2 543.664 4.654 50 0 KJAALO CCOc1ccc([C@H]2[C@@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3C(=O)N2CC[NH+]2CCOCC2)cc1 ZINC000101224514 554688678 /nfs/dbraw/zinc/68/86/78/554688678.db2.gz QAEODONKAWXAEZ-KYJUHHDHSA-N 1 2 543.664 4.654 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000101235205 554690382 /nfs/dbraw/zinc/69/03/82/554690382.db2.gz YLWVDSAFYFTOFP-FIRIVFDPSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000101235205 554690381 /nfs/dbraw/zinc/69/03/81/554690381.db2.gz YLWVDSAFYFTOFP-FIRIVFDPSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000101235212 554690433 /nfs/dbraw/zinc/69/04/33/554690433.db2.gz YLWVDSAFYFTOFP-IOWSJCHKSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000101235212 554690431 /nfs/dbraw/zinc/69/04/31/554690431.db2.gz YLWVDSAFYFTOFP-IOWSJCHKSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000101235379 554690711 /nfs/dbraw/zinc/69/07/11/554690711.db2.gz HMTXWIXQRNJAAW-LOYHVIPDSA-N 1 2 561.679 4.664 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000101235379 554690708 /nfs/dbraw/zinc/69/07/08/554690708.db2.gz HMTXWIXQRNJAAW-LOYHVIPDSA-N 1 2 561.679 4.664 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000101235389 554690732 /nfs/dbraw/zinc/69/07/32/554690732.db2.gz HMTXWIXQRNJAAW-XZWHSSHBSA-N 1 2 561.679 4.664 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000101235389 554690730 /nfs/dbraw/zinc/69/07/30/554690730.db2.gz HMTXWIXQRNJAAW-XZWHSSHBSA-N 1 2 561.679 4.664 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274755 554702389 /nfs/dbraw/zinc/70/23/89/554702389.db2.gz ODIIDJFISNHRAN-YCWZKWCFSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101274755 554702386 /nfs/dbraw/zinc/70/23/86/554702386.db2.gz ODIIDJFISNHRAN-YCWZKWCFSA-N 1 2 528.008 4.753 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3cccc(OC)c3)n2)CC1 ZINC000101305110 554714844 /nfs/dbraw/zinc/71/48/44/554714844.db2.gz RYOAQAYGMSYFNY-UHFFFAOYSA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3cccc(OC)c3)n2)CC1 ZINC000101305110 554714842 /nfs/dbraw/zinc/71/48/42/554714842.db2.gz RYOAQAYGMSYFNY-UHFFFAOYSA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)CC1 ZINC000101306872 554715046 /nfs/dbraw/zinc/71/50/46/554715046.db2.gz PJAHFMJSWQFUAR-UHFFFAOYSA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)CC1 ZINC000101306872 554715043 /nfs/dbraw/zinc/71/50/43/554715043.db2.gz PJAHFMJSWQFUAR-UHFFFAOYSA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)C1 ZINC000101306890 554715080 /nfs/dbraw/zinc/71/50/80/554715080.db2.gz USSHAKOMMRFOIH-XMMPIXPASA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)C1 ZINC000101306890 554715079 /nfs/dbraw/zinc/71/50/79/554715079.db2.gz USSHAKOMMRFOIH-XMMPIXPASA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)C1 ZINC000101306898 554715085 /nfs/dbraw/zinc/71/50/85/554715085.db2.gz USSHAKOMMRFOIH-DEOSSOPVSA-N 1 2 544.652 4.825 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccccc3OC)n2)C1 ZINC000101306898 554715083 /nfs/dbraw/zinc/71/50/83/554715083.db2.gz USSHAKOMMRFOIH-DEOSSOPVSA-N 1 2 544.652 4.825 50 0 KJAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000101321332 554728235 /nfs/dbraw/zinc/72/82/35/554728235.db2.gz XRCAPQRCOMRCAB-TVNXZVQQSA-N 1 2 541.563 4.792 50 0 KJAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000101321332 554728233 /nfs/dbraw/zinc/72/82/33/554728233.db2.gz XRCAPQRCOMRCAB-TVNXZVQQSA-N 1 2 541.563 4.792 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326755 554729138 /nfs/dbraw/zinc/72/91/38/554729138.db2.gz JZVQJHZLNDGXBZ-AREMUKBSSA-N 1 2 564.560 4.926 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326755 554729137 /nfs/dbraw/zinc/72/91/37/554729137.db2.gz JZVQJHZLNDGXBZ-AREMUKBSSA-N 1 2 564.560 4.926 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326759 554729164 /nfs/dbraw/zinc/72/91/64/554729164.db2.gz JZVQJHZLNDGXBZ-SANMLTNESA-N 1 2 564.560 4.926 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326759 554729161 /nfs/dbraw/zinc/72/91/61/554729161.db2.gz JZVQJHZLNDGXBZ-SANMLTNESA-N 1 2 564.560 4.926 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326776 554729270 /nfs/dbraw/zinc/72/92/70/554729270.db2.gz LDQNKVSQIWKWCK-RUZDIDTESA-N 1 2 550.533 4.536 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326776 554729267 /nfs/dbraw/zinc/72/92/67/554729267.db2.gz LDQNKVSQIWKWCK-RUZDIDTESA-N 1 2 550.533 4.536 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326781 554729212 /nfs/dbraw/zinc/72/92/12/554729212.db2.gz LDQNKVSQIWKWCK-VWLOTQADSA-N 1 2 550.533 4.536 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101326781 554729209 /nfs/dbraw/zinc/72/92/09/554729209.db2.gz LDQNKVSQIWKWCK-VWLOTQADSA-N 1 2 550.533 4.536 50 0 KJAALO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000101327177 554729102 /nfs/dbraw/zinc/72/91/02/554729102.db2.gz KDSIPDLGUVZHAY-NDEPHWFRSA-N 1 2 555.741 4.665 50 0 KJAALO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000101327177 554729101 /nfs/dbraw/zinc/72/91/01/554729101.db2.gz KDSIPDLGUVZHAY-NDEPHWFRSA-N 1 2 555.741 4.665 50 0 KJAALO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000101327181 554729328 /nfs/dbraw/zinc/72/93/28/554729328.db2.gz KDSIPDLGUVZHAY-MUUNZHRXSA-N 1 2 555.741 4.665 50 0 KJAALO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000101327181 554729325 /nfs/dbraw/zinc/72/93/25/554729325.db2.gz KDSIPDLGUVZHAY-MUUNZHRXSA-N 1 2 555.741 4.665 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101327185 554729219 /nfs/dbraw/zinc/72/92/19/554729219.db2.gz OSGYVHJUUBTRHJ-RUZDIDTESA-N 1 2 568.523 4.675 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101327185 554729217 /nfs/dbraw/zinc/72/92/17/554729217.db2.gz OSGYVHJUUBTRHJ-RUZDIDTESA-N 1 2 568.523 4.675 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101327188 554729279 /nfs/dbraw/zinc/72/92/79/554729279.db2.gz OSGYVHJUUBTRHJ-VWLOTQADSA-N 1 2 568.523 4.675 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101327188 554729277 /nfs/dbraw/zinc/72/92/77/554729277.db2.gz OSGYVHJUUBTRHJ-VWLOTQADSA-N 1 2 568.523 4.675 50 0 KJAALO Cc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327294 554729545 /nfs/dbraw/zinc/72/95/45/554729545.db2.gz MRNSFGQFVXLCQD-NDEPHWFRSA-N 1 2 555.741 4.683 50 0 KJAALO Cc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000101327294 554729544 /nfs/dbraw/zinc/72/95/44/554729544.db2.gz MRNSFGQFVXLCQD-NDEPHWFRSA-N 1 2 555.741 4.683 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327356 554729540 /nfs/dbraw/zinc/72/95/40/554729540.db2.gz XCSDIXDBWJGFJB-LJAQVGFWSA-N 1 2 549.693 4.521 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327356 554729539 /nfs/dbraw/zinc/72/95/39/554729539.db2.gz XCSDIXDBWJGFJB-LJAQVGFWSA-N 1 2 549.693 4.521 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327359 554729527 /nfs/dbraw/zinc/72/95/27/554729527.db2.gz XCSDIXDBWJGFJB-GDLZYMKVSA-N 1 2 549.693 4.521 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327359 554729526 /nfs/dbraw/zinc/72/95/26/554729526.db2.gz XCSDIXDBWJGFJB-GDLZYMKVSA-N 1 2 549.693 4.521 50 0 KJAALO Cn1c2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O ZINC000101340650 554735424 /nfs/dbraw/zinc/73/54/24/554735424.db2.gz DZBXDKDMMFZUSE-UHFFFAOYSA-N 1 2 548.474 4.991 50 0 KJAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000101340662 554735444 /nfs/dbraw/zinc/73/54/44/554735444.db2.gz DAEZJROIAMYOJN-TVNXZVQQSA-N 1 2 541.563 4.792 50 0 KJAALO O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](C(=O)c2ccncc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000101340662 554735441 /nfs/dbraw/zinc/73/54/41/554735441.db2.gz DAEZJROIAMYOJN-TVNXZVQQSA-N 1 2 541.563 4.792 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101359682 554741732 /nfs/dbraw/zinc/74/17/32/554741732.db2.gz VVNDTHVSNPMBLA-XPGKHFPBSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101359682 554741729 /nfs/dbraw/zinc/74/17/29/554741729.db2.gz VVNDTHVSNPMBLA-XPGKHFPBSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101359684 554741796 /nfs/dbraw/zinc/74/17/96/554741796.db2.gz VVNDTHVSNPMBLA-POTDNYQPSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101359684 554741794 /nfs/dbraw/zinc/74/17/94/554741794.db2.gz VVNDTHVSNPMBLA-POTDNYQPSA-N 1 2 513.981 4.811 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101359783 554741722 /nfs/dbraw/zinc/74/17/22/554741722.db2.gz AOIFYMIRSFXXIU-XDZXDJIYSA-N 1 2 541.991 4.705 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101359783 554741720 /nfs/dbraw/zinc/74/17/20/554741720.db2.gz AOIFYMIRSFXXIU-XDZXDJIYSA-N 1 2 541.991 4.705 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101359785 554741740 /nfs/dbraw/zinc/74/17/40/554741740.db2.gz AOIFYMIRSFXXIU-CWTOASCOSA-N 1 2 541.991 4.705 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101359785 554741737 /nfs/dbraw/zinc/74/17/37/554741737.db2.gz AOIFYMIRSFXXIU-CWTOASCOSA-N 1 2 541.991 4.705 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5cccc[nH+]5)C[C@@H]43)C2=O)cc1 ZINC000101391606 554755195 /nfs/dbraw/zinc/75/51/95/554755195.db2.gz VIIJCHKFDAITMS-IRPSRAIASA-N 1 2 563.580 4.938 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5cccc[nH+]5)C[C@@H]43)C2=O)cc1 ZINC000101391609 554755177 /nfs/dbraw/zinc/75/51/77/554755177.db2.gz VIIJCHKFDAITMS-VAVYLYDRSA-N 1 2 563.580 4.938 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CCN(c5cccc[nH+]5)C[C@@H]43)C2=O)cc1 ZINC000101391642 554755172 /nfs/dbraw/zinc/75/51/72/554755172.db2.gz HINDZKFFIZMCJN-IRPSRAIASA-N 1 2 574.479 4.681 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CCN(c5cccc[nH+]5)C[C@@H]43)C2=O)cc1 ZINC000101391645 554755190 /nfs/dbraw/zinc/75/51/90/554755190.db2.gz HINDZKFFIZMCJN-VAVYLYDRSA-N 1 2 574.479 4.681 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CCN(c5cccc[nH+]5)C[C@@H]43)C2=O)cc1 ZINC000101391671 554755214 /nfs/dbraw/zinc/75/52/14/554755214.db2.gz HMGXSRUEKJVLTR-IRPSRAIASA-N 1 2 530.028 4.572 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CCN(c5cccc[nH+]5)C[C@@H]43)C2=O)cc1 ZINC000101391674 554755200 /nfs/dbraw/zinc/75/52/00/554755200.db2.gz HMGXSRUEKJVLTR-VAVYLYDRSA-N 1 2 530.028 4.572 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000101416348 554765354 /nfs/dbraw/zinc/76/53/54/554765354.db2.gz UYCLDWSHXYXXGE-LDLOPFEMSA-N 1 2 540.620 4.510 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000101416354 554765390 /nfs/dbraw/zinc/76/53/90/554765390.db2.gz UYCLDWSHXYXXGE-KDXMTYKHSA-N 1 2 540.620 4.510 50 0 KJAALO CCn1cc(C(=O)NCCC[N@@H+](CC)c2cccc(C)c2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101417646 554766235 /nfs/dbraw/zinc/76/62/35/554766235.db2.gz YQACXCCIOWSZHL-UHFFFAOYSA-N 1 2 566.768 4.929 50 0 KJAALO CCn1cc(C(=O)NCCC[N@H+](CC)c2cccc(C)c2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101417646 554766233 /nfs/dbraw/zinc/76/62/33/554766233.db2.gz YQACXCCIOWSZHL-UHFFFAOYSA-N 1 2 566.768 4.929 50 0 KJAALO O=C(c1cccc(CSc2nc(Cl)cc(N3CCCC3)n2)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000101421831 554767318 /nfs/dbraw/zinc/76/73/18/554767318.db2.gz ASSAENWTVCLDQU-UHFFFAOYSA-N 1 2 552.100 4.709 50 0 KJAALO CC[N@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cc(OC)cc(OC)c5)CC4)c32)C1 ZINC000101423460 554767770 /nfs/dbraw/zinc/76/77/70/554767770.db2.gz RUPGXNIJTZHVAM-UHFFFAOYSA-N 1 2 557.720 4.640 50 0 KJAALO CC[N@@H+]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(C(=O)c5cc(OC)cc(OC)c5)CC4)c32)C1 ZINC000101423460 554767767 /nfs/dbraw/zinc/76/77/67/554767767.db2.gz RUPGXNIJTZHVAM-UHFFFAOYSA-N 1 2 557.720 4.640 50 0 KJAALO CC(=O)N1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000101441914 554773349 /nfs/dbraw/zinc/77/33/49/554773349.db2.gz BWNVLSUBCQLNIT-UHFFFAOYSA-N 1 2 553.585 4.724 50 0 KJAALO CC(=O)N1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000101441914 554773346 /nfs/dbraw/zinc/77/33/46/554773346.db2.gz BWNVLSUBCQLNIT-UHFFFAOYSA-N 1 2 553.585 4.724 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000101454643 554776510 /nfs/dbraw/zinc/77/65/10/554776510.db2.gz USEKAGJVKWWNKA-KDXMTYKHSA-N 1 2 540.620 4.510 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000101454647 554776517 /nfs/dbraw/zinc/77/65/17/554776517.db2.gz USEKAGJVKWWNKA-LDLOPFEMSA-N 1 2 540.620 4.510 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101455221 554776880 /nfs/dbraw/zinc/77/68/80/554776880.db2.gz QZQWJIJQSBUHGX-LDLOPFEMSA-N 1 2 535.669 4.972 50 0 KJAALO O=C(c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101455226 554776915 /nfs/dbraw/zinc/77/69/15/554776915.db2.gz QZQWJIJQSBUHGX-KDXMTYKHSA-N 1 2 535.669 4.972 50 0 KJAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101460632 554778232 /nfs/dbraw/zinc/77/82/32/554778232.db2.gz YHJXNVDBOYGUMZ-MHZLTWQESA-N 1 2 595.597 4.953 50 0 KJAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101460634 554778300 /nfs/dbraw/zinc/77/83/00/554778300.db2.gz YHJXNVDBOYGUMZ-HHHXNRCGSA-N 1 2 595.597 4.953 50 0 KJAALO CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000101460636 554778264 /nfs/dbraw/zinc/77/82/64/554778264.db2.gz TZGBUSXLLFDVOX-MHZLTWQESA-N 1 2 562.045 4.588 50 0 KJAALO CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)CC1 ZINC000101460638 554778201 /nfs/dbraw/zinc/77/82/01/554778201.db2.gz TZGBUSXLLFDVOX-HHHXNRCGSA-N 1 2 562.045 4.588 50 0 KJAALO COc1ccc(CCN2C(=O)[C@H](Cc3ccccc3)[NH2+]C23CCN(C(=O)c2ccccc2Cl)CC3)cc1OC ZINC000101481673 554784362 /nfs/dbraw/zinc/78/43/62/554784362.db2.gz VZAHKDZKQJMBJP-SANMLTNESA-N 1 2 548.083 4.575 50 0 KJAALO COc1ccc(CCN2C(=O)[C@@H](Cc3ccccc3)[NH2+]C23CCN(C(=O)c2ccccc2Cl)CC3)cc1OC ZINC000101481675 554784350 /nfs/dbraw/zinc/78/43/50/554784350.db2.gz VZAHKDZKQJMBJP-AREMUKBSSA-N 1 2 548.083 4.575 50 0 KJAALO CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CC[NH+](Cc4ccccc4)CC2)c2cc(Cl)ccc23)cc1 ZINC000101512853 554793138 /nfs/dbraw/zinc/79/31/38/554793138.db2.gz KCJLRCCBHBAWMS-UHFFFAOYSA-N 1 2 547.084 4.648 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101514572 554793594 /nfs/dbraw/zinc/79/35/94/554793594.db2.gz KDIDDHPKBBFFMJ-SANMLTNESA-N 1 2 538.044 4.555 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cc(C)nc(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000101514575 554793652 /nfs/dbraw/zinc/79/36/52/554793652.db2.gz KDIDDHPKBBFFMJ-AREMUKBSSA-N 1 2 538.044 4.555 50 0 KJAALO O=C(C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000101557738 554797295 /nfs/dbraw/zinc/79/72/95/554797295.db2.gz ZYQBSHNPIDSKBJ-UHFFFAOYSA-N 1 2 555.654 4.513 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101589892 554802222 /nfs/dbraw/zinc/80/22/22/554802222.db2.gz INYHJVWLZRVBPT-FVYOSNSJSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101589892 554802219 /nfs/dbraw/zinc/80/22/19/554802219.db2.gz INYHJVWLZRVBPT-FVYOSNSJSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101591399 554803154 /nfs/dbraw/zinc/80/31/54/554803154.db2.gz INYHJVWLZRVBPT-GGKJBDKJSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101591399 554803151 /nfs/dbraw/zinc/80/31/51/554803151.db2.gz INYHJVWLZRVBPT-GGKJBDKJSA-N 1 2 555.590 4.989 50 0 KJAALO CCNC(=O)CCCOc1ccc(COC(=O)[C@@H]([NH3+])CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1 ZINC000101650728 554817170 /nfs/dbraw/zinc/81/71/70/554817170.db2.gz WNRLXVCEMUYAMI-YTTGMZPUSA-N 1 2 623.750 4.859 50 0 KJAALO CCCC[N@@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000101680690 554828474 /nfs/dbraw/zinc/82/84/74/554828474.db2.gz AWHQUFBOVGVMMA-UHFFFAOYSA-N 1 2 587.746 4.744 50 0 KJAALO CCCC[N@H+](CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc21)c1ccccc1 ZINC000101680690 554828472 /nfs/dbraw/zinc/82/84/72/554828472.db2.gz AWHQUFBOVGVMMA-UHFFFAOYSA-N 1 2 587.746 4.744 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684867 554829187 /nfs/dbraw/zinc/82/91/87/554829187.db2.gz GFKIAIHIRHCNCO-LJAQVGFWSA-N 1 2 560.695 4.717 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684867 554829186 /nfs/dbraw/zinc/82/91/86/554829186.db2.gz GFKIAIHIRHCNCO-LJAQVGFWSA-N 1 2 560.695 4.717 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684870 554829193 /nfs/dbraw/zinc/82/91/93/554829193.db2.gz GFKIAIHIRHCNCO-GDLZYMKVSA-N 1 2 560.695 4.717 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C3CCC3)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684870 554829192 /nfs/dbraw/zinc/82/91/92/554829192.db2.gz GFKIAIHIRHCNCO-GDLZYMKVSA-N 1 2 560.695 4.717 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684952 554829178 /nfs/dbraw/zinc/82/91/78/554829178.db2.gz PVYLDVOFSQLUBB-NDEPHWFRSA-N 1 2 548.684 4.573 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684952 554829177 /nfs/dbraw/zinc/82/91/77/554829177.db2.gz PVYLDVOFSQLUBB-NDEPHWFRSA-N 1 2 548.684 4.573 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684955 554829548 /nfs/dbraw/zinc/82/95/48/554829548.db2.gz PVYLDVOFSQLUBB-MUUNZHRXSA-N 1 2 548.684 4.573 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)N(CC)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000101684955 554829546 /nfs/dbraw/zinc/82/95/46/554829546.db2.gz PVYLDVOFSQLUBB-MUUNZHRXSA-N 1 2 548.684 4.573 50 0 KJAALO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)ccc2N2CCCCC2)cc1 ZINC000101688393 554830214 /nfs/dbraw/zinc/83/02/14/554830214.db2.gz MUHAKJPRQUAJDB-UHFFFAOYSA-N 1 2 596.197 4.992 50 0 KJAALO COc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n3nc(-c4ccccc4)cc3n2)c1 ZINC000101689656 554830392 /nfs/dbraw/zinc/83/03/92/554830392.db2.gz JZJQVOSLWHCKOM-UHFFFAOYSA-N 1 2 547.615 4.759 50 0 KJAALO COc1ccccc1-c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n2nc(-c3ccccc3)cc2n1 ZINC000101690553 554830793 /nfs/dbraw/zinc/83/07/93/554830793.db2.gz AZFAZOOWFDOAED-UHFFFAOYSA-N 1 2 547.615 4.759 50 0 KJAALO COc1ccc(CNc2cc(C(=O)NCCCn3cc[nH+]c3)cc(S(=O)(=O)Nc3ccccc3)c2)c(C)c1C ZINC000101729325 554833225 /nfs/dbraw/zinc/83/32/25/554833225.db2.gz ZHNMHGCRGWPVQI-UHFFFAOYSA-N 1 2 547.681 4.742 50 0 KJAALO COc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000101751142 1066210420 /nfs/dbraw/zinc/21/04/20/1066210420.db2.gz IZKMVPQFMQPPSK-ULJHMMPZSA-N 1 2 549.425 4.892 50 0 KJAALO Cc1cc(-c2ccc(OCC(=O)NCCc3nc4ccccc4n3C)c(C[NH+]3CCOCC3)c2)c2ccccc2n1 ZINC000101755452 554835750 /nfs/dbraw/zinc/83/57/50/554835750.db2.gz BDKBRKMKWRYTJJ-UHFFFAOYSA-N 1 2 549.675 4.667 50 0 KJAALO Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)COc1ccc(-c2cc(C)nc3ccccc32)cc1C[NH+]1CCOCC1 ZINC000101766203 554837136 /nfs/dbraw/zinc/83/71/36/554837136.db2.gz DZXAKEHVOYJBCQ-QHCPKHFHSA-N 1 2 541.696 4.991 50 0 KJAALO Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(-c2cc(C)nc3ccccc32)cc1C[NH+]1CCOCC1 ZINC000101766208 554837160 /nfs/dbraw/zinc/83/71/60/554837160.db2.gz DZXAKEHVOYJBCQ-HSZRJFAPSA-N 1 2 541.696 4.991 50 0 KJAALO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](Cc3ccccc3Cl)C2)n1 ZINC000101766905 554837125 /nfs/dbraw/zinc/83/71/25/554837125.db2.gz NEJOIBRZQRFYHH-GJZUVCINSA-N 1 2 540.108 4.970 50 0 KJAALO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](Cc3ccccc3Cl)C2)n1 ZINC000101766905 554837123 /nfs/dbraw/zinc/83/71/23/554837123.db2.gz NEJOIBRZQRFYHH-GJZUVCINSA-N 1 2 540.108 4.970 50 0 KJAALO O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnn2C2C[NH2+]C2)cc1F ZINC000101788058 554838787 /nfs/dbraw/zinc/83/87/87/554838787.db2.gz XGPDJOZWOGPDLD-UHFFFAOYSA-N 1 2 574.969 4.950 50 0 KJAALO CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101791663 554838736 /nfs/dbraw/zinc/83/87/36/554838736.db2.gz VFBHIOYJQIKNCO-DEOSSOPVSA-N 1 2 543.590 4.617 50 0 KJAALO CC(=O)N[C@H](CC(C)C)C(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000101791667 554838755 /nfs/dbraw/zinc/83/87/55/554838755.db2.gz VFBHIOYJQIKNCO-XMMPIXPASA-N 1 2 543.590 4.617 50 0 KJAALO CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000101792786 554838698 /nfs/dbraw/zinc/83/86/98/554838698.db2.gz MZJBJJBQEWSEJQ-DEOSSOPVSA-N 1 2 543.590 4.617 50 0 KJAALO CC(=O)N[C@H](CC(C)C)C(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000101792790 554838689 /nfs/dbraw/zinc/83/86/89/554838689.db2.gz MZJBJJBQEWSEJQ-XMMPIXPASA-N 1 2 543.590 4.617 50 0 KJAALO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000101797012 554839305 /nfs/dbraw/zinc/83/93/05/554839305.db2.gz IUUVODAZHJEKCV-GJZUVCINSA-N 1 2 541.643 4.595 50 0 KJAALO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000101797012 554839301 /nfs/dbraw/zinc/83/93/01/554839301.db2.gz IUUVODAZHJEKCV-GJZUVCINSA-N 1 2 541.643 4.595 50 0 KJAALO O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000101829380 554841453 /nfs/dbraw/zinc/84/14/53/554841453.db2.gz UZXOACCOPANNCN-UHFFFAOYSA-N 1 2 526.481 4.960 50 0 KJAALO COc1ccc(-c2csc3[nH]c(C[N@H+](Cc4ccccc4)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000101863459 554844919 /nfs/dbraw/zinc/84/49/19/554844919.db2.gz NYOIANQHPOEJQW-JOCHJYFZSA-N 1 2 537.682 4.705 50 0 KJAALO COc1ccc(-c2csc3[nH]c(C[N@@H+](Cc4ccccc4)C[C@@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000101863459 554844918 /nfs/dbraw/zinc/84/49/18/554844918.db2.gz NYOIANQHPOEJQW-JOCHJYFZSA-N 1 2 537.682 4.705 50 0 KJAALO COc1ccc(-c2csc3[nH]c(C[N@H+](Cc4ccccc4)C[C@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000101863464 554844853 /nfs/dbraw/zinc/84/48/53/554844853.db2.gz NYOIANQHPOEJQW-QFIPXVFZSA-N 1 2 537.682 4.705 50 0 KJAALO COc1ccc(-c2csc3[nH]c(C[N@@H+](Cc4ccccc4)C[C@H](O)COCC(C)C)nc(=O)c23)cc1OC ZINC000101863464 554844851 /nfs/dbraw/zinc/84/48/51/554844851.db2.gz NYOIANQHPOEJQW-QFIPXVFZSA-N 1 2 537.682 4.705 50 0 KJAALO Cc1[nH+]c(SCc2ccc(C(=O)N3CCOCC3)cc2)nc(N2CCN(c3ccccc3Cl)CC2)c1C ZINC000101954558 554853119 /nfs/dbraw/zinc/85/31/19/554853119.db2.gz SMTUOBORJJNXED-UHFFFAOYSA-N 1 2 538.117 4.838 50 0 KJAALO O=S(=O)(c1ccccc1OC(F)(F)F)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000101998692 1066217359 /nfs/dbraw/zinc/21/73/59/1066217359.db2.gz ICTWNWTXAVZVJT-UHFFFAOYSA-N 1 2 590.668 4.530 50 0 KJAALO COc1cccc(N2CCN(C(=O)COc3ccc(-c4cc(C)nc5ccccc54)cc3C[NH+]3CCOCC3)CC2)c1 ZINC000102001974 554866243 /nfs/dbraw/zinc/86/62/43/554866243.db2.gz BPCRPTGLRLCSKJ-UHFFFAOYSA-N 1 2 566.702 4.779 50 0 KJAALO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)CC3)c2C1=O ZINC000102027468 554867686 /nfs/dbraw/zinc/86/76/86/554867686.db2.gz UPSFRZIDPCREAM-CJHOVAGGSA-N 1 2 569.731 4.574 50 0 KJAALO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)N4CC[NH+](C/C=C/c5ccccc5)CC4)CC3)c2C1=O ZINC000102027471 554867597 /nfs/dbraw/zinc/86/75/97/554867597.db2.gz UPSFRZIDPCREAM-MFJULSPGSA-N 1 2 569.731 4.574 50 0 KJAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000102038913 554869277 /nfs/dbraw/zinc/86/92/77/554869277.db2.gz IYHVMTSPFWLOBC-JOCHJYFZSA-N 1 2 528.477 4.660 50 0 KJAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2ccc(F)cc2)C1=O ZINC000102038919 554869342 /nfs/dbraw/zinc/86/93/42/554869342.db2.gz IYHVMTSPFWLOBC-QFIPXVFZSA-N 1 2 528.477 4.660 50 0 KJAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102038979 554869237 /nfs/dbraw/zinc/86/92/37/554869237.db2.gz VFHLHTMMURYLEO-JOCHJYFZSA-N 1 2 544.039 4.886 50 0 KJAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102038984 554869283 /nfs/dbraw/zinc/86/92/83/554869283.db2.gz VFHLHTMMURYLEO-QFIPXVFZSA-N 1 2 544.039 4.886 50 0 KJAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102039003 554869323 /nfs/dbraw/zinc/86/93/23/554869323.db2.gz VSSHGYJZNAOPEL-JOCHJYFZSA-N 1 2 544.039 4.886 50 0 KJAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102039009 554869263 /nfs/dbraw/zinc/86/92/63/554869263.db2.gz VSSHGYJZNAOPEL-QFIPXVFZSA-N 1 2 544.039 4.886 50 0 KJAALO CC(C)C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102039032 554869327 /nfs/dbraw/zinc/86/93/27/554869327.db2.gz HVUVUDQYSAQORR-HSZRJFAPSA-N 1 2 560.642 4.781 50 0 KJAALO CC(C)C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc4cccnc43)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102039037 554869297 /nfs/dbraw/zinc/86/92/97/554869297.db2.gz HVUVUDQYSAQORR-QHCPKHFHSA-N 1 2 560.642 4.781 50 0 KJAALO COc1cc([C@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)ccc1OCc1ccccc1 ZINC000102039904 554869271 /nfs/dbraw/zinc/86/92/71/554869271.db2.gz DNVPYZVKHACVED-HKBQPEDESA-N 1 2 620.772 4.639 50 0 KJAALO COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(CC(=O)NCC[NH+]4CCOCC4)N32)ccc1OCc1ccccc1 ZINC000102039911 554869319 /nfs/dbraw/zinc/86/93/19/554869319.db2.gz DNVPYZVKHACVED-WJOKGBTCSA-N 1 2 620.772 4.639 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(Cl)nc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000102067933 554873361 /nfs/dbraw/zinc/87/33/61/554873361.db2.gz MLBRUMQJGCHLPZ-DEOSSOPVSA-N 1 2 528.436 4.891 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(Cl)nc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000102067937 554873449 /nfs/dbraw/zinc/87/34/49/554873449.db2.gz MLBRUMQJGCHLPZ-XMMPIXPASA-N 1 2 528.436 4.891 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccnc3Cl)CC2)c2ccc(Cl)cc2)cc1 ZINC000102067986 554873348 /nfs/dbraw/zinc/87/33/48/554873348.db2.gz FRTHZSLZWYQLRC-DEOSSOPVSA-N 1 2 528.436 4.891 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccnc3Cl)CC2)c2ccc(Cl)cc2)cc1 ZINC000102067989 554873341 /nfs/dbraw/zinc/87/33/41/554873341.db2.gz FRTHZSLZWYQLRC-XMMPIXPASA-N 1 2 528.436 4.891 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@H]3C)c2C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000102091235 554877688 /nfs/dbraw/zinc/87/76/88/554877688.db2.gz WGTBSFQJZBLHJD-INIZCTEOSA-N 1 2 549.093 4.990 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)c2C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000102091235 554877686 /nfs/dbraw/zinc/87/76/86/554877686.db2.gz WGTBSFQJZBLHJD-INIZCTEOSA-N 1 2 549.093 4.990 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@H]3C)c2C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000102091239 554877846 /nfs/dbraw/zinc/87/78/46/554877846.db2.gz WGTBSFQJZBLHJD-MRXNPFEDSA-N 1 2 549.093 4.990 50 0 KJAALO CCOC(=O)N1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@H]3C)c2C(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000102091239 554877843 /nfs/dbraw/zinc/87/78/43/554877843.db2.gz WGTBSFQJZBLHJD-MRXNPFEDSA-N 1 2 549.093 4.990 50 0 KJAALO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc[nH+]4)CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000102131849 554885998 /nfs/dbraw/zinc/88/59/98/554885998.db2.gz ZYXAQNXHNKYLTO-UHFFFAOYSA-N 1 2 551.091 4.998 50 0 KJAALO Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000102133198 554887321 /nfs/dbraw/zinc/88/73/21/554887321.db2.gz XWSIQJWVOUGZFT-UHFFFAOYSA-N 1 2 544.700 4.961 50 0 KJAALO O=S(=O)(c1cccc2ccccc21)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102157291 1066218607 /nfs/dbraw/zinc/21/86/07/1066218607.db2.gz FNFHXZUKKHNACD-UHFFFAOYSA-N 1 2 556.732 4.785 50 0 KJAALO COc1cc2c(cc1C[N@H+]1C[C@H](n3cnnn3)C[C@H]1C(=O)NCCc1ccc(F)cc1)oc(C)c2-c1ccccc1 ZINC000102163482 554890424 /nfs/dbraw/zinc/89/04/24/554890424.db2.gz MJZNBOLQCHMPRM-VPUSJEBWSA-N 1 2 554.626 4.717 50 0 KJAALO COc1cc2c(cc1C[N@@H+]1C[C@H](n3cnnn3)C[C@H]1C(=O)NCCc1ccc(F)cc1)oc(C)c2-c1ccccc1 ZINC000102163482 554890422 /nfs/dbraw/zinc/89/04/22/554890422.db2.gz MJZNBOLQCHMPRM-VPUSJEBWSA-N 1 2 554.626 4.717 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000102188276 554894134 /nfs/dbraw/zinc/89/41/34/554894134.db2.gz VFCQAIROYJMGOO-DEOSSOPVSA-N 1 2 601.457 4.551 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000102188276 554894133 /nfs/dbraw/zinc/89/41/33/554894133.db2.gz VFCQAIROYJMGOO-DEOSSOPVSA-N 1 2 601.457 4.551 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000102188283 554894116 /nfs/dbraw/zinc/89/41/16/554894116.db2.gz VFCQAIROYJMGOO-XMMPIXPASA-N 1 2 601.457 4.551 50 0 KJAALO COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)C[N@@H+]1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000102188283 554894114 /nfs/dbraw/zinc/89/41/14/554894114.db2.gz VFCQAIROYJMGOO-XMMPIXPASA-N 1 2 601.457 4.551 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(F)cc2Cl)cc1 ZINC000102211374 554897010 /nfs/dbraw/zinc/89/70/10/554897010.db2.gz FXHLQUYQNPANEV-UHFFFAOYSA-N 1 2 540.064 4.626 50 0 KJAALO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000102224439 1066220309 /nfs/dbraw/zinc/22/03/09/1066220309.db2.gz HQCNLIBODWPKNI-LJAQVGFWSA-N 1 2 536.694 4.990 50 0 KJAALO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000102224439 1066220303 /nfs/dbraw/zinc/22/03/03/1066220303.db2.gz HQCNLIBODWPKNI-LJAQVGFWSA-N 1 2 536.694 4.990 50 0 KJAALO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000102224443 1066220274 /nfs/dbraw/zinc/22/02/74/1066220274.db2.gz HQCNLIBODWPKNI-GDLZYMKVSA-N 1 2 536.694 4.990 50 0 KJAALO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000102224443 1066220261 /nfs/dbraw/zinc/22/02/61/1066220261.db2.gz HQCNLIBODWPKNI-GDLZYMKVSA-N 1 2 536.694 4.990 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232688 554900310 /nfs/dbraw/zinc/90/03/10/554900310.db2.gz RMHZPPLTZZYNIV-MUUNZHRXSA-N 1 2 546.712 4.654 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232688 554900307 /nfs/dbraw/zinc/90/03/07/554900307.db2.gz RMHZPPLTZZYNIV-MUUNZHRXSA-N 1 2 546.712 4.654 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232692 554900282 /nfs/dbraw/zinc/90/02/82/554900282.db2.gz RMHZPPLTZZYNIV-NDEPHWFRSA-N 1 2 546.712 4.654 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102232692 554900279 /nfs/dbraw/zinc/90/02/79/554900279.db2.gz RMHZPPLTZZYNIV-NDEPHWFRSA-N 1 2 546.712 4.654 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102233263 554900546 /nfs/dbraw/zinc/90/05/46/554900546.db2.gz NTAXCZDTQDJBOP-RUZDIDTESA-N 1 2 559.494 4.663 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000102233263 554900544 /nfs/dbraw/zinc/90/05/44/554900544.db2.gz NTAXCZDTQDJBOP-RUZDIDTESA-N 1 2 559.494 4.663 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000102233269 554900487 /nfs/dbraw/zinc/90/04/87/554900487.db2.gz NTAXCZDTQDJBOP-VWLOTQADSA-N 1 2 559.494 4.663 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000102233269 554900486 /nfs/dbraw/zinc/90/04/86/554900486.db2.gz NTAXCZDTQDJBOP-VWLOTQADSA-N 1 2 559.494 4.663 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000102233373 554900778 /nfs/dbraw/zinc/90/07/78/554900778.db2.gz ZSMQHGJZJPBTFK-XMMPIXPASA-N 1 2 579.019 4.720 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C(F)(F)F ZINC000102233373 554900775 /nfs/dbraw/zinc/90/07/75/554900775.db2.gz ZSMQHGJZJPBTFK-XMMPIXPASA-N 1 2 579.019 4.720 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102233377 554900793 /nfs/dbraw/zinc/90/07/93/554900793.db2.gz ZSMQHGJZJPBTFK-DEOSSOPVSA-N 1 2 579.019 4.720 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C(F)(F)F ZINC000102233377 554900791 /nfs/dbraw/zinc/90/07/91/554900791.db2.gz ZSMQHGJZJPBTFK-DEOSSOPVSA-N 1 2 579.019 4.720 50 0 KJAALO O=C(c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000102234140 554900957 /nfs/dbraw/zinc/90/09/57/554900957.db2.gz HDVJPLUYOWVZBG-UHFFFAOYSA-N 1 2 535.579 4.889 50 0 KJAALO O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)oc(=S)n2C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000102249420 554903763 /nfs/dbraw/zinc/90/37/63/554903763.db2.gz ZXTKJBAJSNEROT-UHFFFAOYSA-N 1 2 531.059 4.903 50 0 KJAALO COc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+]2CCCCC2)cc1 ZINC000102269691 554905630 /nfs/dbraw/zinc/90/56/30/554905630.db2.gz MHCBEGDDTJMKNN-JOCHJYFZSA-N 1 2 547.471 4.841 50 0 KJAALO COc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)[NH+]2CCCCC2)cc1 ZINC000102269695 554905622 /nfs/dbraw/zinc/90/56/22/554905622.db2.gz MHCBEGDDTJMKNN-QFIPXVFZSA-N 1 2 547.471 4.841 50 0 KJAALO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(Cl)cc3)CC2)c1 ZINC000102336530 554912803 /nfs/dbraw/zinc/91/28/03/554912803.db2.gz DCUSLHQTZBDFSX-NDEPHWFRSA-N 1 2 554.112 4.741 50 0 KJAALO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(Cl)cc3)CC2)c1 ZINC000102336530 554912800 /nfs/dbraw/zinc/91/28/00/554912800.db2.gz DCUSLHQTZBDFSX-NDEPHWFRSA-N 1 2 554.112 4.741 50 0 KJAALO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(Cl)cc3)CC2)c1 ZINC000102336535 554912891 /nfs/dbraw/zinc/91/28/91/554912891.db2.gz DCUSLHQTZBDFSX-MUUNZHRXSA-N 1 2 554.112 4.741 50 0 KJAALO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(Cl)cc3)CC2)c1 ZINC000102336535 554912888 /nfs/dbraw/zinc/91/28/88/554912888.db2.gz DCUSLHQTZBDFSX-MUUNZHRXSA-N 1 2 554.112 4.741 50 0 KJAALO O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102386898 1066222055 /nfs/dbraw/zinc/22/20/55/1066222055.db2.gz SXAMPMCZKUGZLW-UHFFFAOYSA-N 1 2 574.669 4.650 50 0 KJAALO COc1cc(NC(=O)N2CC[NH+](CCO[C@@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000102408479 554922840 /nfs/dbraw/zinc/92/28/40/554922840.db2.gz KTBRLIQVRSVAGA-MHZLTWQESA-N 1 2 541.595 4.946 50 0 KJAALO COc1cc(NC(=O)N2CC[NH+](CCO[C@H](c3ccccc3)c3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000102408481 554922731 /nfs/dbraw/zinc/92/27/31/554922731.db2.gz KTBRLIQVRSVAGA-HHHXNRCGSA-N 1 2 541.595 4.946 50 0 KJAALO COc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CC[NH+](C/C=C/c6ccccc6)CC5)CC4)c3C2=O)cc1OC ZINC000102456745 554934607 /nfs/dbraw/zinc/93/46/07/554934607.db2.gz ACWSTGGCNNMCHU-JXMROGBWSA-N 1 2 594.712 4.578 50 0 KJAALO CC1=C(C(=O)OC(C)C)[C@H](c2cccc(OCc3ccccc3)c2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102535444 554955310 /nfs/dbraw/zinc/95/53/10/554955310.db2.gz RWUAGDNAEXTZDS-PMERELPUSA-N 1 2 590.746 4.631 50 0 KJAALO CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(OCc3ccccc3)c2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102535450 554955357 /nfs/dbraw/zinc/95/53/57/554955357.db2.gz RWUAGDNAEXTZDS-SSEXGKCCSA-N 1 2 590.746 4.631 50 0 KJAALO CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102536264 554955641 /nfs/dbraw/zinc/95/56/41/554955641.db2.gz XWXXBPOZVPWILY-LJAQVGFWSA-N 1 2 576.719 4.844 50 0 KJAALO CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)NCC[NH+]3CCOCC3)=CSC2=N1 ZINC000102536268 554955704 /nfs/dbraw/zinc/95/57/04/554955704.db2.gz XWXXBPOZVPWILY-GDLZYMKVSA-N 1 2 576.719 4.844 50 0 KJAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)c1C(=O)OC ZINC000102541307 554957509 /nfs/dbraw/zinc/95/75/09/554957509.db2.gz GOGVDXKBSHYKMW-HOFKKMOUSA-N 1 2 597.697 4.599 50 0 KJAALO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3cccc(SC)c3)[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)c1C(=O)OC ZINC000102541307 554957505 /nfs/dbraw/zinc/95/75/05/554957505.db2.gz GOGVDXKBSHYKMW-HOFKKMOUSA-N 1 2 597.697 4.599 50 0 KJAALO O=C1c2cccc(N3CC[NH+](C/C(Cl)=C/c4ccccc4)CC3)c2C(=O)N1C[C@@H]1COc2ccccc2O1 ZINC000102547454 554959951 /nfs/dbraw/zinc/95/99/51/554959951.db2.gz PXHQNCGJMIFYMC-IYTCMIDZSA-N 1 2 530.024 4.525 50 0 KJAALO O=C1c2cccc(N3CC[NH+](C/C(Cl)=C/c4ccccc4)CC3)c2C(=O)N1C[C@H]1COc2ccccc2O1 ZINC000102547456 554959969 /nfs/dbraw/zinc/95/99/69/554959969.db2.gz PXHQNCGJMIFYMC-RJYQMNAMSA-N 1 2 530.024 4.525 50 0 KJAALO O=C(c1ccc(-n2cccn2)cc1)N(Cc1cc2cc3c(cc2[nH+]c1N1CCOCC1)CCC3)C[C@@H]1CCCO1 ZINC000102558493 554965887 /nfs/dbraw/zinc/96/58/87/554965887.db2.gz GRYZGOUCWNYSEM-LJAQVGFWSA-N 1 2 537.664 4.567 50 0 KJAALO O=C(c1ccc(-n2cccn2)cc1)N(Cc1cc2cc3c(cc2[nH+]c1N1CCOCC1)CCC3)C[C@H]1CCCO1 ZINC000102558497 554965830 /nfs/dbraw/zinc/96/58/30/554965830.db2.gz GRYZGOUCWNYSEM-GDLZYMKVSA-N 1 2 537.664 4.567 50 0 KJAALO CN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000102564926 554969740 /nfs/dbraw/zinc/96/97/40/554969740.db2.gz PKIUDYXAMWTJMK-UHFFFAOYSA-N 1 2 552.090 4.783 50 0 KJAALO CCCCOc1ccc(-c2cc3c(N4CCC(C(=O)N5CCN(c6cccc[nH+]6)CC5)CC4)nccn3n2)cc1 ZINC000102575859 554971533 /nfs/dbraw/zinc/97/15/33/554971533.db2.gz ADXFRJDVNLAAJR-UHFFFAOYSA-N 1 2 539.684 4.535 50 0 KJAALO CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5Cl)CC4)c(C)c(C)[nH+]3)cc2)CC1 ZINC000102615697 554984310 /nfs/dbraw/zinc/98/43/10/554984310.db2.gz VYADJZZLDGXNNR-UHFFFAOYSA-N 1 2 579.170 4.670 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000102673342 555002876 /nfs/dbraw/zinc/00/28/76/555002876.db2.gz IQUHXFHRBYUFTH-SFYJVUIZSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000102673342 555002874 /nfs/dbraw/zinc/00/28/74/555002874.db2.gz IQUHXFHRBYUFTH-SFYJVUIZSA-N 1 2 528.008 4.753 50 0 KJAALO O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102687108 555007138 /nfs/dbraw/zinc/00/71/38/555007138.db2.gz XRPPMCBARQCVNO-UHFFFAOYSA-N 1 2 590.668 4.530 50 0 KJAALO Cc1c(Cl)cccc1S(=O)(=O)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102699309 1066225575 /nfs/dbraw/zinc/22/55/75/1066225575.db2.gz FDHMHEJSOYDAFR-UHFFFAOYSA-N 1 2 555.144 4.593 50 0 KJAALO O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102701839 1066226266 /nfs/dbraw/zinc/22/62/66/1066226266.db2.gz MKKGVUGNQRTHOH-UHFFFAOYSA-N 1 2 574.669 4.650 50 0 KJAALO O=S(=O)(c1ccc2ccccc2c1)N1CCC(Oc2cccc(CN3CC[NH+](Cc4cccnc4)CC3)c2)CC1 ZINC000102711664 1066226977 /nfs/dbraw/zinc/22/69/77/1066226977.db2.gz CKHHPKGHHXBZAQ-UHFFFAOYSA-N 1 2 556.732 4.785 50 0 KJAALO COc1cc2c(cc1C[N@H+]1C[C@H](n3cnnn3)C[C@H]1C(=O)NCCc1ccccc1)oc(C)c2-c1ccccc1 ZINC000102713103 555017644 /nfs/dbraw/zinc/01/76/44/555017644.db2.gz TVUGDIUWLYGTTE-VPUSJEBWSA-N 1 2 536.636 4.578 50 0 KJAALO COc1cc2c(cc1C[N@@H+]1C[C@H](n3cnnn3)C[C@H]1C(=O)NCCc1ccccc1)oc(C)c2-c1ccccc1 ZINC000102713103 555017642 /nfs/dbraw/zinc/01/76/42/555017642.db2.gz TVUGDIUWLYGTTE-VPUSJEBWSA-N 1 2 536.636 4.578 50 0 KJAALO O=C(CN(CCC[NH+]1CCOCC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N(Cc1ccco1)Cc1ccc(F)cc1 ZINC000102729169 555023052 /nfs/dbraw/zinc/02/30/52/555023052.db2.gz HIDIUTNKSYEOSP-UHFFFAOYSA-N 1 2 598.524 4.668 50 0 KJAALO COc1ccc(CCNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OC ZINC000102734261 555024700 /nfs/dbraw/zinc/02/47/00/555024700.db2.gz PAJFYFXYZCRBHX-UHFFFAOYSA-N 1 2 606.667 4.566 50 0 KJAALO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746868 555039928 /nfs/dbraw/zinc/03/99/28/555039928.db2.gz UMSFROWRUHIQJP-WJOKGBTCSA-N 1 2 603.789 4.547 50 0 KJAALO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+]3CCOCC3)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102746869 555039949 /nfs/dbraw/zinc/03/99/49/555039949.db2.gz UMSFROWRUHIQJP-HKBQPEDESA-N 1 2 603.789 4.547 50 0 KJAALO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000102753439 555045465 /nfs/dbraw/zinc/04/54/65/555045465.db2.gz CMAVQFJJHBXACI-UHFFFAOYSA-N 1 2 610.553 4.951 50 0 KJAALO C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102753684 555045584 /nfs/dbraw/zinc/04/55/84/555045584.db2.gz ZBPSJHABBSZEGP-CQSZACIVSA-N 1 2 536.403 4.514 50 0 KJAALO C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000102753688 555045657 /nfs/dbraw/zinc/04/56/57/555045657.db2.gz ZBPSJHABBSZEGP-AWEZNQCLSA-N 1 2 536.403 4.514 50 0 KJAALO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 ZINC000102753721 555045703 /nfs/dbraw/zinc/04/57/03/555045703.db2.gz QWJRTVSWOICPCH-UHFFFAOYSA-N 1 2 566.102 4.842 50 0 KJAALO COc1ccccc1N1CC[NH+](CCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1 ZINC000102753815 555045743 /nfs/dbraw/zinc/04/57/43/555045743.db2.gz HDDJHFSQDCYGIQ-UHFFFAOYSA-N 1 2 578.138 4.711 50 0 KJAALO O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102753880 555045649 /nfs/dbraw/zinc/04/56/49/555045649.db2.gz DTIOJZYYERTQFA-UHFFFAOYSA-N 1 2 590.563 4.850 50 0 KJAALO COc1ccccc1N1CC[NH+](CCCNC(=O)CCCCCn2c(=O)c3cc(Br)ccc3[nH]c2=S)CC1 ZINC000102753961 555045605 /nfs/dbraw/zinc/04/56/05/555045605.db2.gz WLRTWSUQDCHQIZ-UHFFFAOYSA-N 1 2 602.599 4.719 50 0 KJAALO COCc1cc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc(SCc2ccc(C(=O)N(C)Cc3ccccc3)o2)n1 ZINC000102754345 555046125 /nfs/dbraw/zinc/04/61/25/555046125.db2.gz XJTPYMVAZKFPHN-UHFFFAOYSA-N 1 2 601.729 4.831 50 0 KJAALO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CCC(Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000102756721 555049764 /nfs/dbraw/zinc/04/97/64/555049764.db2.gz BYJJHDSJRXGPHZ-UHFFFAOYSA-N 1 2 554.160 4.847 50 0 KJAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2CC)CC1 ZINC000102758829 555050695 /nfs/dbraw/zinc/05/06/95/555050695.db2.gz CUPBHJYLVWVRHD-NDEPHWFRSA-N 1 2 563.699 4.510 50 0 KJAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2CC)CC1 ZINC000102758829 555050692 /nfs/dbraw/zinc/05/06/92/555050692.db2.gz CUPBHJYLVWVRHD-NDEPHWFRSA-N 1 2 563.699 4.510 50 0 KJAALO CCCNC(=O)N1CCC[N@@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2CC)CC1 ZINC000102758831 555050729 /nfs/dbraw/zinc/05/07/29/555050729.db2.gz CUPBHJYLVWVRHD-MUUNZHRXSA-N 1 2 563.699 4.510 50 0 KJAALO CCCNC(=O)N1CCC[N@H+](CC2=C(C(=O)OCC)[C@@H](c3cccc(Oc4ccccc4)c3)NC(=O)N2CC)CC1 ZINC000102758831 555050728 /nfs/dbraw/zinc/05/07/28/555050728.db2.gz CUPBHJYLVWVRHD-MUUNZHRXSA-N 1 2 563.699 4.510 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1OC ZINC000102758844 555050945 /nfs/dbraw/zinc/05/09/45/555050945.db2.gz OTHWAAQRYSAXOC-SANMLTNESA-N 1 2 603.642 4.857 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1OC ZINC000102758844 555050944 /nfs/dbraw/zinc/05/09/44/555050944.db2.gz OTHWAAQRYSAXOC-SANMLTNESA-N 1 2 603.642 4.857 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1OC ZINC000102758846 555050965 /nfs/dbraw/zinc/05/09/65/555050965.db2.gz OTHWAAQRYSAXOC-AREMUKBSSA-N 1 2 603.642 4.857 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1OC ZINC000102758846 555050962 /nfs/dbraw/zinc/05/09/62/555050962.db2.gz OTHWAAQRYSAXOC-AREMUKBSSA-N 1 2 603.642 4.857 50 0 KJAALO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N3CCN(c4cccc[nH+]4)CC3)C2=O)cc1Br ZINC000102768791 555056307 /nfs/dbraw/zinc/05/63/07/555056307.db2.gz FDZGYZOQXSDWBV-JJIBRWJFSA-N 1 2 565.493 4.681 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776622 555062924 /nfs/dbraw/zinc/06/29/24/555062924.db2.gz IQUHXFHRBYUFTH-ZKQAZLPASA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102776622 555062920 /nfs/dbraw/zinc/06/29/20/555062920.db2.gz IQUHXFHRBYUFTH-ZKQAZLPASA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CCN(c5cccc[nH+]5)CC4)cc3N(C)C2=O)cc1OC ZINC000102779307 555065198 /nfs/dbraw/zinc/06/51/98/555065198.db2.gz QHRXRJMWAWOCSI-NLRVBDNBSA-N 1 2 530.650 4.561 50 0 KJAALO CCC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)CC1 ZINC000102779652 555065301 /nfs/dbraw/zinc/06/53/01/555065301.db2.gz HBNOXXPWJLFSQM-UHFFFAOYSA-N 1 2 538.069 4.501 50 0 KJAALO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[N@@H+](CCCC)c3ccccc3)c2c1 ZINC000102781369 555066256 /nfs/dbraw/zinc/06/62/56/555066256.db2.gz NFPMIHQAYXTNDC-UHFFFAOYSA-N 1 2 540.730 4.765 50 0 KJAALO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[N@H+](CCCC)c3ccccc3)c2c1 ZINC000102781369 555066252 /nfs/dbraw/zinc/06/62/52/555066252.db2.gz NFPMIHQAYXTNDC-UHFFFAOYSA-N 1 2 540.730 4.765 50 0 KJAALO CCCC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1ccccc1 ZINC000102785019 555067504 /nfs/dbraw/zinc/06/75/04/555067504.db2.gz CUYJCRNAUCIBAI-UHFFFAOYSA-N 1 2 538.714 4.519 50 0 KJAALO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21)c1ccccc1 ZINC000102785019 555067501 /nfs/dbraw/zinc/06/75/01/555067501.db2.gz CUYJCRNAUCIBAI-UHFFFAOYSA-N 1 2 538.714 4.519 50 0 KJAALO CCCC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)c1ccccc1 ZINC000102785126 555067534 /nfs/dbraw/zinc/06/75/34/555067534.db2.gz AZABILWINVDWIA-QFIPXVFZSA-N 1 2 538.714 4.518 50 0 KJAALO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21)c1ccccc1 ZINC000102785126 555067532 /nfs/dbraw/zinc/06/75/32/555067532.db2.gz AZABILWINVDWIA-QFIPXVFZSA-N 1 2 538.714 4.518 50 0 KJAALO Cc1nc(SCc2ccc(C(=O)NCC[NH+]3CCOCC3)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000102831023 555078723 /nfs/dbraw/zinc/07/87/23/555078723.db2.gz MHUGRIFZGMKWQV-UHFFFAOYSA-N 1 2 614.738 4.793 50 0 KJAALO Cc1nc(SCc2cccc(C(=O)NCC[NH+]3CCOCC3)c2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000102831154 555078929 /nfs/dbraw/zinc/07/89/29/555078929.db2.gz NGLKMQCGAFZRIN-UHFFFAOYSA-N 1 2 614.738 4.793 50 0 KJAALO CC[C@@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102839555 555080660 /nfs/dbraw/zinc/08/06/60/555080660.db2.gz QWHXKOJSEQOGHY-IQGLISFBSA-N 1 2 584.566 4.581 50 0 KJAALO CC[C@H](C)[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102839559 555080702 /nfs/dbraw/zinc/08/07/02/555080702.db2.gz QWHXKOJSEQOGHY-AVRWGWEMSA-N 1 2 584.566 4.581 50 0 KJAALO CC[C@@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102839562 555080681 /nfs/dbraw/zinc/08/06/81/555080681.db2.gz QWHXKOJSEQOGHY-CJAUYULYSA-N 1 2 584.566 4.581 50 0 KJAALO CC[C@H](C)[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000102839567 555080669 /nfs/dbraw/zinc/08/06/69/555080669.db2.gz QWHXKOJSEQOGHY-BVZFJXPGSA-N 1 2 584.566 4.581 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841322 555081738 /nfs/dbraw/zinc/08/17/38/555081738.db2.gz BNRAOCAMYBTSCX-RUZDIDTESA-N 1 2 542.474 4.582 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841322 555081736 /nfs/dbraw/zinc/08/17/36/555081736.db2.gz BNRAOCAMYBTSCX-RUZDIDTESA-N 1 2 542.474 4.582 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841326 555081768 /nfs/dbraw/zinc/08/17/68/555081768.db2.gz BNRAOCAMYBTSCX-VWLOTQADSA-N 1 2 542.474 4.582 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841326 555081766 /nfs/dbraw/zinc/08/17/66/555081766.db2.gz BNRAOCAMYBTSCX-VWLOTQADSA-N 1 2 542.474 4.582 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841663 555081810 /nfs/dbraw/zinc/08/18/10/555081810.db2.gz WMHLLFFQWYAHND-AREMUKBSSA-N 1 2 556.501 4.972 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841663 555081809 /nfs/dbraw/zinc/08/18/09/555081809.db2.gz WMHLLFFQWYAHND-AREMUKBSSA-N 1 2 556.501 4.972 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841668 555081805 /nfs/dbraw/zinc/08/18/05/555081805.db2.gz WMHLLFFQWYAHND-SANMLTNESA-N 1 2 556.501 4.972 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000102841668 555081804 /nfs/dbraw/zinc/08/18/04/555081804.db2.gz WMHLLFFQWYAHND-SANMLTNESA-N 1 2 556.501 4.972 50 0 KJAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000102844320 555084175 /nfs/dbraw/zinc/08/41/75/555084175.db2.gz WULQJRMJEOINAR-OAQYLSRUSA-N 1 2 538.992 4.571 50 0 KJAALO CCOC(=O)C1=C(CSc2[nH+]cnc3c2cnn3-c2ccc(F)cc2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000102844323 555084161 /nfs/dbraw/zinc/08/41/61/555084161.db2.gz WULQJRMJEOINAR-NRFANRHFSA-N 1 2 538.992 4.571 50 0 KJAALO CCOC(=O)C1=C(C[N@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118549 /nfs/dbraw/zinc/11/85/49/555118549.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118548 /nfs/dbraw/zinc/11/85/48/555118548.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1C[N@H+](CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000102887196 555118545 /nfs/dbraw/zinc/11/85/45/555118545.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1C[N@@H+](CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000102887196 555118541 /nfs/dbraw/zinc/11/85/41/555118541.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(C[N@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118538 /nfs/dbraw/zinc/11/85/38/555118538.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(C[N@@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000102887196 555118537 /nfs/dbraw/zinc/11/85/37/555118537.db2.gz VSMBPHQITDNJDH-ZUKKLESISA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(C[N@H+](C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887199 555118604 /nfs/dbraw/zinc/11/86/04/555118604.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+](C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@H]1c1ccccc1 ZINC000102887199 555118603 /nfs/dbraw/zinc/11/86/03/555118603.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1C[N@H+](CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000102887199 555118600 /nfs/dbraw/zinc/11/86/00/555118600.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1C[N@@H+](CC1=NC(=O)N[C@@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000102887199 555118598 /nfs/dbraw/zinc/11/85/98/555118598.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(C[N@H+](C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000102887199 555118595 /nfs/dbraw/zinc/11/85/95/555118595.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(C[N@@H+](C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000102887199 555118593 /nfs/dbraw/zinc/11/85/93/555118593.db2.gz VSMBPHQITDNJDH-UCGGBYDDSA-N 1 2 643.785 4.928 50 0 KJAALO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000102895260 555134118 /nfs/dbraw/zinc/13/41/18/555134118.db2.gz GCHRASSKSQPLPL-VRUMLPLGSA-N 1 2 584.812 4.737 50 0 KJAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000102895263 555134169 /nfs/dbraw/zinc/13/41/69/555134169.db2.gz GCHRASSKSQPLPL-TVZXLZGTSA-N 1 2 584.812 4.737 50 0 KJAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000102895269 555134013 /nfs/dbraw/zinc/13/40/13/555134013.db2.gz GCHRASSKSQPLPL-AOJNWGRGSA-N 1 2 584.812 4.737 50 0 KJAALO O=C(CSc1nc2ccc(Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)cc2s1)NCCc1ccccc1 ZINC000102895657 555134999 /nfs/dbraw/zinc/13/49/99/555134999.db2.gz USTVNGPQCNTVGI-UHFFFAOYSA-N 1 2 560.753 4.876 50 0 KJAALO C[C@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)Nc1cccc2ccccc21 ZINC000102904161 555140903 /nfs/dbraw/zinc/14/09/03/555140903.db2.gz UAQUPDGKDHLCCZ-QFIPXVFZSA-N 1 2 546.718 4.861 50 0 KJAALO C[C@@H](Sc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1)C(=O)Nc1cccc2ccccc21 ZINC000102904162 555141011 /nfs/dbraw/zinc/14/10/11/555141011.db2.gz UAQUPDGKDHLCCZ-JOCHJYFZSA-N 1 2 546.718 4.861 50 0 KJAALO CC(C)(C)c1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cn2)cc1 ZINC000102904173 555140940 /nfs/dbraw/zinc/14/09/40/555140940.db2.gz ZERJYARPIQULOO-UHFFFAOYSA-N 1 2 538.739 4.616 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000102936175 555163666 /nfs/dbraw/zinc/16/36/66/555163666.db2.gz LLSBSQNZWKGKKU-VWLOTQADSA-N 1 2 573.616 4.849 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@H]1c1ccccc1 ZINC000102936175 555163665 /nfs/dbraw/zinc/16/36/65/555163665.db2.gz LLSBSQNZWKGKKU-VWLOTQADSA-N 1 2 573.616 4.849 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000102936180 555163678 /nfs/dbraw/zinc/16/36/78/555163678.db2.gz LLSBSQNZWKGKKU-RUZDIDTESA-N 1 2 573.616 4.849 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(CC)C(=O)N[C@@H]1c1ccccc1 ZINC000102936180 555163677 /nfs/dbraw/zinc/16/36/77/555163677.db2.gz LLSBSQNZWKGKKU-RUZDIDTESA-N 1 2 573.616 4.849 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000102937066 555165033 /nfs/dbraw/zinc/16/50/33/555165033.db2.gz KLXKLFIJVNGBPC-RUZDIDTESA-N 1 2 573.616 4.767 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@@H]1c1ccccc1C ZINC000102937066 555165030 /nfs/dbraw/zinc/16/50/30/555165030.db2.gz KLXKLFIJVNGBPC-RUZDIDTESA-N 1 2 573.616 4.767 50 0 KJAALO CCOC(=O)C1=C(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000102937070 555165108 /nfs/dbraw/zinc/16/51/08/555165108.db2.gz KLXKLFIJVNGBPC-VWLOTQADSA-N 1 2 573.616 4.767 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)N(C)C(=O)N[C@H]1c1ccccc1C ZINC000102937070 555165106 /nfs/dbraw/zinc/16/51/06/555165106.db2.gz KLXKLFIJVNGBPC-VWLOTQADSA-N 1 2 573.616 4.767 50 0 KJAALO O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(Cl)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102955729 555173719 /nfs/dbraw/zinc/17/37/19/555173719.db2.gz KXJFSDNJTXEEQS-UHFFFAOYSA-N 1 2 522.429 4.891 50 0 KJAALO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000102996912 555196429 /nfs/dbraw/zinc/19/64/29/555196429.db2.gz LSPJEWUSYCSUCN-XMMPIXPASA-N 1 2 544.073 4.725 50 0 KJAALO COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000102996915 555196707 /nfs/dbraw/zinc/19/67/07/555196707.db2.gz LSPJEWUSYCSUCN-DEOSSOPVSA-N 1 2 544.073 4.725 50 0 KJAALO CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000102997440 555196688 /nfs/dbraw/zinc/19/66/88/555196688.db2.gz GAKXNPVFZAKUIG-UHFFFAOYSA-N 1 2 549.693 4.825 50 0 KJAALO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)[NH+]2CCCC2)cc1 ZINC000103001562 555201406 /nfs/dbraw/zinc/20/14/06/555201406.db2.gz ZBKMDRSASHYBEX-RUZDIDTESA-N 1 2 544.073 4.725 50 0 KJAALO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)[NH+]2CCCC2)cc1 ZINC000103001565 555201437 /nfs/dbraw/zinc/20/14/37/555201437.db2.gz ZBKMDRSASHYBEX-VWLOTQADSA-N 1 2 544.073 4.725 50 0 KJAALO COc1ccc2c(c1)c(CC(=O)N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000103008462 555205258 /nfs/dbraw/zinc/20/52/58/555205258.db2.gz JEOWYFRFXVJMHF-UHFFFAOYSA-N 1 2 560.050 4.916 50 0 KJAALO O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1c2ccccc2nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000103019297 555210897 /nfs/dbraw/zinc/21/08/97/555210897.db2.gz JPYZPWLNDZLJON-STBIYBPSSA-N 1 2 592.677 4.988 50 0 KJAALO O=C(NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1c2ccccc2nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000103019297 555210894 /nfs/dbraw/zinc/21/08/94/555210894.db2.gz JPYZPWLNDZLJON-STBIYBPSSA-N 1 2 592.677 4.988 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103030354 555218607 /nfs/dbraw/zinc/21/86/07/555218607.db2.gz QMLSVAWHYVYGLI-MUUNZHRXSA-N 1 2 553.055 4.616 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103030357 555218727 /nfs/dbraw/zinc/21/87/27/555218727.db2.gz QMLSVAWHYVYGLI-NDEPHWFRSA-N 1 2 553.055 4.616 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3cccnc3SC)CC2)c2ccc(Cl)cc2)cc1 ZINC000103030436 555218722 /nfs/dbraw/zinc/21/87/22/555218722.db2.gz YVILFXNJVIJGKD-VWLOTQADSA-N 1 2 540.085 4.959 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3cccnc3SC)CC2)c2ccc(Cl)cc2)cc1 ZINC000103030441 555218731 /nfs/dbraw/zinc/21/87/31/555218731.db2.gz YVILFXNJVIJGKD-RUZDIDTESA-N 1 2 540.085 4.959 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103030472 555218716 /nfs/dbraw/zinc/21/87/16/555218716.db2.gz HOSBENGGTSBMJN-MHZLTWQESA-N 1 2 541.019 4.990 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(OC)c(F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103030474 555218692 /nfs/dbraw/zinc/21/86/92/555218692.db2.gz HOSBENGGTSBMJN-HHHXNRCGSA-N 1 2 541.019 4.990 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000103031483 555219402 /nfs/dbraw/zinc/21/94/02/555219402.db2.gz JENSJHDRKGJHQV-SANMLTNESA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000103031486 555219329 /nfs/dbraw/zinc/21/93/29/555219329.db2.gz JENSJHDRKGJHQV-AREMUKBSSA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000103031508 555219423 /nfs/dbraw/zinc/21/94/23/555219423.db2.gz DCEYMYODNAYAKE-MHZLTWQESA-N 1 2 546.636 4.869 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)OCc2ccc(C)cc2)c1 ZINC000103031510 555219301 /nfs/dbraw/zinc/21/93/01/555219301.db2.gz DCEYMYODNAYAKE-HHHXNRCGSA-N 1 2 546.636 4.869 50 0 KJAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[NH+](C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000103031538 555219381 /nfs/dbraw/zinc/21/93/81/555219381.db2.gz WZIGFZRRQSWRDT-QHCPKHFHSA-N 1 2 537.513 4.608 50 0 KJAALO Cc1nn(C)c(Cl)c1S(=O)(=O)N1CC[NH+](C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000103031540 555219410 /nfs/dbraw/zinc/21/94/10/555219410.db2.gz WZIGFZRRQSWRDT-HSZRJFAPSA-N 1 2 537.513 4.608 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000103031647 555219542 /nfs/dbraw/zinc/21/95/42/555219542.db2.gz YWNCMTWKQXTYEP-AREMUKBSSA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000103031650 555219562 /nfs/dbraw/zinc/21/95/62/555219562.db2.gz YWNCMTWKQXTYEP-SANMLTNESA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccc(Cl)cc2)c1 ZINC000103032459 555220173 /nfs/dbraw/zinc/22/01/73/555220173.db2.gz PXCAGTMDFHTZHT-VWLOTQADSA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c2ccc(Cl)cc2)c1 ZINC000103032461 555220176 /nfs/dbraw/zinc/22/01/76/555220176.db2.gz PXCAGTMDFHTZHT-RUZDIDTESA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)c2ccc(Cl)cc2)c1 ZINC000103032467 555220163 /nfs/dbraw/zinc/22/01/63/555220163.db2.gz BYVRGRUHPMQANI-MHZLTWQESA-N 1 2 545.101 4.930 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)c2ccc(Cl)cc2)c1 ZINC000103032469 555220125 /nfs/dbraw/zinc/22/01/25/555220125.db2.gz BYVRGRUHPMQANI-HHHXNRCGSA-N 1 2 545.101 4.930 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103032838 555220325 /nfs/dbraw/zinc/22/03/25/555220325.db2.gz QBKJJKRXATYYFT-NDEPHWFRSA-N 1 2 537.056 4.780 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Cc3cccc(OC)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103032840 555220443 /nfs/dbraw/zinc/22/04/43/555220443.db2.gz QBKJJKRXATYYFT-MUUNZHRXSA-N 1 2 537.056 4.780 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103033028 555220738 /nfs/dbraw/zinc/22/07/38/555220738.db2.gz ZZIKAUGOECFDKP-HHHXNRCGSA-N 1 2 592.636 4.765 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103033033 555220718 /nfs/dbraw/zinc/22/07/18/555220718.db2.gz ZZIKAUGOECFDKP-MHZLTWQESA-N 1 2 592.636 4.765 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033038 555220672 /nfs/dbraw/zinc/22/06/72/555220672.db2.gz SDORIXFWNDBIGR-MUUNZHRXSA-N 1 2 561.100 4.630 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033040 555220704 /nfs/dbraw/zinc/22/07/04/555220704.db2.gz SDORIXFWNDBIGR-NDEPHWFRSA-N 1 2 561.100 4.630 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033043 555220710 /nfs/dbraw/zinc/22/07/10/555220710.db2.gz FQMKAOGAICKTTA-MHZLTWQESA-N 1 2 545.101 4.930 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)OCc2cccc(Cl)c2)c1 ZINC000103033046 555220741 /nfs/dbraw/zinc/22/07/41/555220741.db2.gz FQMKAOGAICKTTA-HHHXNRCGSA-N 1 2 545.101 4.930 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033171 555220951 /nfs/dbraw/zinc/22/09/51/555220951.db2.gz TYHAWWKEOSWRHQ-HHHXNRCGSA-N 1 2 592.636 4.765 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033174 555220814 /nfs/dbraw/zinc/22/08/14/555220814.db2.gz TYHAWWKEOSWRHQ-MHZLTWQESA-N 1 2 592.636 4.765 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033255 555220875 /nfs/dbraw/zinc/22/08/75/555220875.db2.gz FTBRFJVDMCPGSO-HHHXNRCGSA-N 1 2 577.074 4.539 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103033257 555220863 /nfs/dbraw/zinc/22/08/63/555220863.db2.gz FTBRFJVDMCPGSO-MHZLTWQESA-N 1 2 577.074 4.539 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccc(Cl)cc2)c1 ZINC000103033382 555221265 /nfs/dbraw/zinc/22/12/65/555221265.db2.gz ZMIJBQOLDIJIMZ-VWLOTQADSA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c2ccc(Cl)cc2)c1 ZINC000103033386 555221229 /nfs/dbraw/zinc/22/12/29/555221229.db2.gz ZMIJBQOLDIJIMZ-RUZDIDTESA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000103033394 555221248 /nfs/dbraw/zinc/22/12/48/555221248.db2.gz GTMFBSQXDITAQC-NDEPHWFRSA-N 1 2 561.100 4.630 50 0 KJAALO COc1cccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2ccc(Cl)cc2)c1 ZINC000103033398 555221217 /nfs/dbraw/zinc/22/12/17/555221217.db2.gz GTMFBSQXDITAQC-MUUNZHRXSA-N 1 2 561.100 4.630 50 0 KJAALO CCc1[nH+]c(C)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1Cc1ccc(Cl)cc1 ZINC000103035619 555222624 /nfs/dbraw/zinc/22/26/24/555222624.db2.gz AGVQEZFCPDERQK-UHFFFAOYSA-N 1 2 549.922 4.865 50 0 KJAALO COc1ccc(CCN2C(=O)[C@@H](CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1OC ZINC000103035846 555222921 /nfs/dbraw/zinc/22/29/21/555222921.db2.gz WFSFDOPLQZDCEA-HSZRJFAPSA-N 1 2 584.566 4.581 50 0 KJAALO COc1ccc(CCN2C(=O)[C@H](CC(C)C)[NH2+]C23CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC3)cc1OC ZINC000103035852 555222913 /nfs/dbraw/zinc/22/29/13/555222913.db2.gz WFSFDOPLQZDCEA-QHCPKHFHSA-N 1 2 584.566 4.581 50 0 KJAALO O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000103040258 555224902 /nfs/dbraw/zinc/22/49/02/555224902.db2.gz BNLMKHJXXZYDCT-UHFFFAOYSA-N 1 2 527.071 4.709 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103045774 555228117 /nfs/dbraw/zinc/22/81/17/555228117.db2.gz KEFARCPDRADWBZ-HHHXNRCGSA-N 1 2 567.480 4.960 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(Br)cc3)CC2)c2cccc(OC)c2)cc1 ZINC000103045777 555228098 /nfs/dbraw/zinc/22/80/98/555228098.db2.gz KEFARCPDRADWBZ-MHZLTWQESA-N 1 2 567.480 4.960 50 0 KJAALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)c(F)c3)(C(=O)NCCCn3cc[nH+]c3)C[C@H](OCc3ccc(F)c(F)c3)[C@@H]2O1 ZINC000103047321 555229069 /nfs/dbraw/zinc/22/90/69/555229069.db2.gz QLJNYFNPYQBJEQ-DEJVGURISA-N 1 2 591.602 4.801 50 0 KJAALO CC1(C)O[C@@H]2C[C@@](OCc3ccc(F)c(F)c3)(C(=O)NCCCn3cc[nH+]c3)C[C@@H](OCc3ccc(F)c(F)c3)[C@@H]2O1 ZINC000103047323 555229079 /nfs/dbraw/zinc/22/90/79/555229079.db2.gz QLJNYFNPYQBJEQ-KMFVSHEXSA-N 1 2 591.602 4.801 50 0 KJAALO COc1ccc(CCN(C)c2nc(SCc3cccc(C(=O)N4CCOCC4)c3)[nH+]c(C)c2C)cc1OC ZINC000103048457 555229934 /nfs/dbraw/zinc/22/99/34/555229934.db2.gz JZYBGHKOHOEDAL-UHFFFAOYSA-N 1 2 536.698 4.554 50 0 KJAALO COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)NC[C@@H]4CCCO4)cc3)[nH+]c(C)c2C)cc1OC ZINC000103048504 555230238 /nfs/dbraw/zinc/23/02/38/555230238.db2.gz PBWACQQPDYOUEX-VWLOTQADSA-N 1 2 550.725 4.991 50 0 KJAALO COc1ccc(CCN(C)c2nc(SCc3ccc(C(=O)NC[C@H]4CCCO4)cc3)[nH+]c(C)c2C)cc1OC ZINC000103048508 555230220 /nfs/dbraw/zinc/23/02/20/555230220.db2.gz PBWACQQPDYOUEX-RUZDIDTESA-N 1 2 550.725 4.991 50 0 KJAALO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103049054 555230929 /nfs/dbraw/zinc/23/09/29/555230929.db2.gz MFPZQEZTWOKMLN-VWLOTQADSA-N 1 2 556.553 4.976 50 0 KJAALO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103049055 555230937 /nfs/dbraw/zinc/23/09/37/555230937.db2.gz MFPZQEZTWOKMLN-RUZDIDTESA-N 1 2 556.553 4.976 50 0 KJAALO COc1cccc(S(=O)(=O)N2CC[NH+](CCO[C@@H](c3ccccc3)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103049078 555231082 /nfs/dbraw/zinc/23/10/82/555231082.db2.gz MJRYGLVLSZWHQA-SANMLTNESA-N 1 2 534.600 4.827 50 0 KJAALO COc1cccc(S(=O)(=O)N2CC[NH+](CCO[C@H](c3ccccc3)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000103049080 555231133 /nfs/dbraw/zinc/23/11/33/555231133.db2.gz MJRYGLVLSZWHQA-AREMUKBSSA-N 1 2 534.600 4.827 50 0 KJAALO O=S(=O)(c1cccc(OC(F)(F)F)c1)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103049102 555231144 /nfs/dbraw/zinc/23/11/44/555231144.db2.gz QHQNTALQCBBWNU-UHFFFAOYSA-N 1 2 556.553 4.976 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103053141 555234924 /nfs/dbraw/zinc/23/49/24/555234924.db2.gz MEOVWNJSHANSKO-MHZLTWQESA-N 1 2 551.039 4.629 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103053143 555235010 /nfs/dbraw/zinc/23/50/10/555235010.db2.gz MEOVWNJSHANSKO-HHHXNRCGSA-N 1 2 551.039 4.629 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2cccc(OC)c2)cc1 ZINC000103059563 555239975 /nfs/dbraw/zinc/23/99/75/555239975.db2.gz OVTNWYODQUUGRW-AREMUKBSSA-N 1 2 592.636 4.765 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2cccc(OC)c2)cc1 ZINC000103059564 555239986 /nfs/dbraw/zinc/23/99/86/555239986.db2.gz OVTNWYODQUUGRW-SANMLTNESA-N 1 2 592.636 4.765 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)cc2)CC1 ZINC000103066085 555246552 /nfs/dbraw/zinc/24/65/52/555246552.db2.gz CDOUFQGBFGYSEX-UHFFFAOYSA-N 1 2 577.726 4.958 50 0 KJAALO COc1cc2c(cc1NC(=O)CSc1nc3ccccc3c(=O)n1CCC[NH+]1CCOCC1)oc1ccccc12 ZINC000103072869 555252668 /nfs/dbraw/zinc/25/26/68/555252668.db2.gz AYYTXGNJLWTVAK-UHFFFAOYSA-N 1 2 558.660 4.758 50 0 KJAALO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)cn1C ZINC000103076132 555255346 /nfs/dbraw/zinc/25/53/46/555255346.db2.gz ZEKXIYYYMFKDKV-QHCPKHFHSA-N 1 2 557.038 4.665 50 0 KJAALO Cc1nc(S(=O)(=O)N2CC[NH+](C[C@@H](OCc3ccc(C(F)(F)F)cc3)c3ccc(Cl)cc3)CC2)cn1C ZINC000103076135 555255660 /nfs/dbraw/zinc/25/56/60/555255660.db2.gz ZEKXIYYYMFKDKV-HSZRJFAPSA-N 1 2 557.038 4.665 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103076188 555255667 /nfs/dbraw/zinc/25/56/67/555255667.db2.gz USVOZQCEKSQJOQ-MHZLTWQESA-N 1 2 543.085 4.532 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103076190 555255618 /nfs/dbraw/zinc/25/56/18/555255618.db2.gz USVOZQCEKSQJOQ-HHHXNRCGSA-N 1 2 543.085 4.532 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(OC)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000103077977 555256616 /nfs/dbraw/zinc/25/66/16/555256616.db2.gz LUFAHTMWBASCQQ-GOSISDBHSA-N 1 2 578.720 4.587 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(OC)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000103077977 555256614 /nfs/dbraw/zinc/25/66/14/555256614.db2.gz LUFAHTMWBASCQQ-GOSISDBHSA-N 1 2 578.720 4.587 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(OC)cc1)C[N@H+](Cc1ccccc1)CC2 ZINC000103077980 555256577 /nfs/dbraw/zinc/25/65/77/555256577.db2.gz LUFAHTMWBASCQQ-SFHVURJKSA-N 1 2 578.720 4.587 50 0 KJAALO CCOC(=O)c1c2c(sc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(OC)cc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000103077980 555256574 /nfs/dbraw/zinc/25/65/74/555256574.db2.gz LUFAHTMWBASCQQ-SFHVURJKSA-N 1 2 578.720 4.587 50 0 KJAALO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](CCO[C@@H](c3ccccc3)c3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000103091129 555270244 /nfs/dbraw/zinc/27/02/44/555270244.db2.gz KDQJLWBKOQLPAI-XIFFEERXSA-N 1 2 593.790 4.815 50 0 KJAALO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](CCO[C@H](c3ccccc3)c3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000103091132 555270175 /nfs/dbraw/zinc/27/01/75/555270175.db2.gz KDQJLWBKOQLPAI-MGBGTMOVSA-N 1 2 593.790 4.815 50 0 KJAALO O=C(CCCNC(=O)OCc1ccccc1)N1CC[NH+](Cc2cccc(-c3noc(-c4cccs4)n3)c2)CC1 ZINC000103098830 555276225 /nfs/dbraw/zinc/27/62/25/555276225.db2.gz BAXBBPYPSNWBRP-UHFFFAOYSA-N 1 2 545.665 4.816 50 0 KJAALO CCCCOCCOCC(=O)N1CC[NH+](Cc2cccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)c2)CC1 ZINC000103098859 555276190 /nfs/dbraw/zinc/27/61/90/555276190.db2.gz KEWDQTLSFUUYBY-UHFFFAOYSA-N 1 2 546.590 4.900 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2cccc(Cl)c2)c1 ZINC000103100463 555278003 /nfs/dbraw/zinc/27/80/03/555278003.db2.gz GWGDKAWSDRUXSF-RUZDIDTESA-N 1 2 537.028 4.891 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OCc2cccc(Cl)c2)c1 ZINC000103100466 555277975 /nfs/dbraw/zinc/27/79/75/555277975.db2.gz GWGDKAWSDRUXSF-VWLOTQADSA-N 1 2 537.028 4.891 50 0 KJAALO O=C(COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000103101287 555278690 /nfs/dbraw/zinc/27/86/90/555278690.db2.gz DDPIYUBAOCNCEE-UHFFFAOYSA-N 1 2 596.920 4.949 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3cccc(OC)c3OC)n2)CC1 ZINC000103101953 555279531 /nfs/dbraw/zinc/27/95/31/555279531.db2.gz OJQLQDPOLGXPOE-UHFFFAOYSA-N 1 2 574.678 4.833 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3cccc(OC)c3OC)n2)CC1 ZINC000103101953 555279527 /nfs/dbraw/zinc/27/95/27/555279527.db2.gz OJQLQDPOLGXPOE-UHFFFAOYSA-N 1 2 574.678 4.833 50 0 KJAALO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103105549 555282668 /nfs/dbraw/zinc/28/26/68/555282668.db2.gz DPFPJOCTDKDCBB-UHFFFAOYSA-N 1 2 551.453 4.840 50 0 KJAALO CC(C)(C)c1ccc(COc2coc(C[N@H+]3CCCN(C(=O)[C@@]45CC[C@@](C)(C(=O)O4)C5(C)C)CC3)cc2=O)cc1 ZINC000103108487 555284332 /nfs/dbraw/zinc/28/43/32/555284332.db2.gz SUNJQUNGGOVBIH-AJQTZOPKSA-N 1 2 550.696 4.673 50 0 KJAALO CC(C)(C)c1ccc(COc2coc(C[N@@H+]3CCCN(C(=O)[C@@]45CC[C@@](C)(C(=O)O4)C5(C)C)CC3)cc2=O)cc1 ZINC000103108487 555284330 /nfs/dbraw/zinc/28/43/30/555284330.db2.gz SUNJQUNGGOVBIH-AJQTZOPKSA-N 1 2 550.696 4.673 50 0 KJAALO COc1cccc(COc2coc(C[N@H+]3CCCN(C(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)CC3)cc2=O)c1 ZINC000103110115 555284808 /nfs/dbraw/zinc/28/48/08/555284808.db2.gz UDFGUSNCGILKIU-FNHKZSGOSA-N 1 2 540.701 4.739 50 0 KJAALO COc1cccc(COc2coc(C[N@@H+]3CCCN(C(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)CC3)cc2=O)c1 ZINC000103110115 555284806 /nfs/dbraw/zinc/28/48/06/555284806.db2.gz UDFGUSNCGILKIU-FNHKZSGOSA-N 1 2 540.701 4.739 50 0 KJAALO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[N@@H+](Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000103110153 555284802 /nfs/dbraw/zinc/28/48/02/555284802.db2.gz BDCWSUBVPDERIW-AEAGWUPHSA-N 1 2 528.665 4.870 50 0 KJAALO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC[N@H+](Cc2cc(=O)c(OCc3cccc(F)c3)co2)CC1 ZINC000103110153 555284801 /nfs/dbraw/zinc/28/48/01/555284801.db2.gz BDCWSUBVPDERIW-AEAGWUPHSA-N 1 2 528.665 4.870 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103112219 555285719 /nfs/dbraw/zinc/28/57/19/555285719.db2.gz FMCUIAPRSFNTCQ-GOSISDBHSA-N 1 2 582.675 4.693 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103112219 555285716 /nfs/dbraw/zinc/28/57/16/555285716.db2.gz FMCUIAPRSFNTCQ-GOSISDBHSA-N 1 2 582.675 4.693 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103112222 555285775 /nfs/dbraw/zinc/28/57/75/555285775.db2.gz FMCUIAPRSFNTCQ-SFHVURJKSA-N 1 2 582.675 4.693 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc(OC)c(OC)c(OC)c2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103112222 555285772 /nfs/dbraw/zinc/28/57/72/555285772.db2.gz FMCUIAPRSFNTCQ-SFHVURJKSA-N 1 2 582.675 4.693 50 0 KJAALO CSc1ccc(COc2coc(C[N@H+]3CCCN(C(=O)C4CCN(c5nccc(C(F)(F)F)n5)CC4)CC3)cc2=O)cc1 ZINC000103112544 555285848 /nfs/dbraw/zinc/28/58/48/555285848.db2.gz OCXQBLCTDOUOBM-UHFFFAOYSA-N 1 2 617.694 4.700 50 0 KJAALO CSc1ccc(COc2coc(C[N@@H+]3CCCN(C(=O)C4CCN(c5nccc(C(F)(F)F)n5)CC4)CC3)cc2=O)cc1 ZINC000103112544 555285845 /nfs/dbraw/zinc/28/58/45/555285845.db2.gz OCXQBLCTDOUOBM-UHFFFAOYSA-N 1 2 617.694 4.700 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103125218 555293566 /nfs/dbraw/zinc/29/35/66/555293566.db2.gz RSWHWZNFDSEAEE-SANMLTNESA-N 1 2 595.064 4.992 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cccc(OC(F)F)c3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103125223 555293557 /nfs/dbraw/zinc/29/35/57/555293557.db2.gz RSWHWZNFDSEAEE-AREMUKBSSA-N 1 2 595.064 4.992 50 0 KJAALO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)cc1OC ZINC000103125267 555293495 /nfs/dbraw/zinc/29/34/95/555293495.db2.gz JWGUJHLOYVWZRQ-NDEPHWFRSA-N 1 2 545.101 4.930 50 0 KJAALO COc1ccc(S(=O)(=O)N2CC[NH+](C[C@@H](OCc3cccc(C)c3)c3ccc(Cl)cc3)CC2)cc1OC ZINC000103125269 555293547 /nfs/dbraw/zinc/29/35/47/555293547.db2.gz JWGUJHLOYVWZRQ-MUUNZHRXSA-N 1 2 545.101 4.930 50 0 KJAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](C[C@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000103125297 555293490 /nfs/dbraw/zinc/29/34/90/555293490.db2.gz VDEMOAZKUUUSOZ-QHCPKHFHSA-N 1 2 549.114 4.761 50 0 KJAALO COC(=O)c1sccc1S(=O)(=O)N1CC[NH+](C[C@@H](OCc2cccc(C)c2)c2ccc(Cl)cc2)CC1 ZINC000103125300 555293454 /nfs/dbraw/zinc/29/34/54/555293454.db2.gz VDEMOAZKUUUSOZ-HSZRJFAPSA-N 1 2 549.114 4.761 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103128094 555295988 /nfs/dbraw/zinc/29/59/88/555295988.db2.gz VNBPJPZAUZBVHY-WZONZLPQSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103128094 555295984 /nfs/dbraw/zinc/29/59/84/555295984.db2.gz VNBPJPZAUZBVHY-WZONZLPQSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103128097 555296026 /nfs/dbraw/zinc/29/60/26/555296026.db2.gz VNBPJPZAUZBVHY-FDDCHVKYSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C[C@H]2Sc3ccccc3NC2=O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103128097 555296023 /nfs/dbraw/zinc/29/60/23/555296023.db2.gz VNBPJPZAUZBVHY-FDDCHVKYSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103128099 555296042 /nfs/dbraw/zinc/29/60/42/555296042.db2.gz VNBPJPZAUZBVHY-JPYJTQIMSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103128099 555296040 /nfs/dbraw/zinc/29/60/40/555296040.db2.gz VNBPJPZAUZBVHY-JPYJTQIMSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000103128101 555296270 /nfs/dbraw/zinc/29/62/70/555296270.db2.gz VNBPJPZAUZBVHY-MBSDFSHPSA-N 1 2 593.727 4.856 50 0 KJAALO CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)C[C@@H]2Sc3ccccc3NC2=O)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000103128101 555296266 /nfs/dbraw/zinc/29/62/66/555296266.db2.gz VNBPJPZAUZBVHY-MBSDFSHPSA-N 1 2 593.727 4.856 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103128159 555296200 /nfs/dbraw/zinc/29/62/00/555296200.db2.gz JOUYLWSGXTWDPQ-LJAQVGFWSA-N 1 2 545.636 4.792 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3cccc(C(C)=O)c3)CC2)c2cccc(OC)c2)cc1 ZINC000103128161 555296205 /nfs/dbraw/zinc/29/62/05/555296205.db2.gz JOUYLWSGXTWDPQ-GDLZYMKVSA-N 1 2 545.636 4.792 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(OC)cc3OC)n2)CC1 ZINC000103141361 555311046 /nfs/dbraw/zinc/31/10/46/555311046.db2.gz POOXLNOLGVPOQG-UHFFFAOYSA-N 1 2 574.678 4.833 50 0 KJAALO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(OC)cc3OC)n2)CC1 ZINC000103141361 555311042 /nfs/dbraw/zinc/31/10/42/555311042.db2.gz POOXLNOLGVPOQG-UHFFFAOYSA-N 1 2 574.678 4.833 50 0 KJAALO COc1cccc([C@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000103172109 555325685 /nfs/dbraw/zinc/32/56/85/555325685.db2.gz GRLDUCAATLBVFM-MHZLTWQESA-N 1 2 546.636 4.869 50 0 KJAALO COc1cccc([C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)OCc2ccc(C)cc2)c1 ZINC000103172114 555325693 /nfs/dbraw/zinc/32/56/93/555325693.db2.gz GRLDUCAATLBVFM-HHHXNRCGSA-N 1 2 546.636 4.869 50 0 KJAALO CCOc1ccc(NC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000103180574 555328919 /nfs/dbraw/zinc/32/89/19/555328919.db2.gz GROSYINLXMMUGF-NDEPHWFRSA-N 1 2 536.673 5.000 50 0 KJAALO CCOc1ccc(NC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000103180574 555328916 /nfs/dbraw/zinc/32/89/16/555328916.db2.gz GROSYINLXMMUGF-NDEPHWFRSA-N 1 2 536.673 5.000 50 0 KJAALO CCOc1ccc(NC(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000103180579 555328965 /nfs/dbraw/zinc/32/89/65/555328965.db2.gz GROSYINLXMMUGF-MUUNZHRXSA-N 1 2 536.673 5.000 50 0 KJAALO CCOc1ccc(NC(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000103180579 555328961 /nfs/dbraw/zinc/32/89/61/555328961.db2.gz GROSYINLXMMUGF-MUUNZHRXSA-N 1 2 536.673 5.000 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103182295 555329258 /nfs/dbraw/zinc/32/92/58/555329258.db2.gz PHVDGYGIPRDMMT-DWACAAAGSA-N 1 2 537.056 4.996 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103182299 555329249 /nfs/dbraw/zinc/32/92/49/555329249.db2.gz PHVDGYGIPRDMMT-DFHRPNOPSA-N 1 2 537.056 4.996 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103182302 555329218 /nfs/dbraw/zinc/32/92/18/555329218.db2.gz PHVDGYGIPRDMMT-RBISFHTESA-N 1 2 537.056 4.996 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000103182304 555329253 /nfs/dbraw/zinc/32/92/53/555329253.db2.gz PHVDGYGIPRDMMT-SKCUWOTOSA-N 1 2 537.056 4.996 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000103187581 555332330 /nfs/dbraw/zinc/33/23/30/555332330.db2.gz GKRUUUVOCYDNJU-GDLZYMKVSA-N 1 2 563.651 4.607 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(C(=O)Nc3cc(OC)ccc3OC)CC2)c2cccc(OC)c2)cc1 ZINC000103187585 555332322 /nfs/dbraw/zinc/33/23/22/555332322.db2.gz GKRUUUVOCYDNJU-LJAQVGFWSA-N 1 2 563.651 4.607 50 0 KJAALO COc1ccc(Cn2cc([C@@H](CC(=O)NCC[NH+]3CCOCC3)c3cc(OC)cc(OC)c3)c3ccccc32)cc1 ZINC000103267288 555347237 /nfs/dbraw/zinc/34/72/37/555347237.db2.gz RDHAMMIUVZQKEC-PMERELPUSA-N 1 2 557.691 4.686 50 0 KJAALO COc1ccc(Cn2cc([C@H](CC(=O)NCC[NH+]3CCOCC3)c3cc(OC)cc(OC)c3)c3ccccc32)cc1 ZINC000103267290 555347619 /nfs/dbraw/zinc/34/76/19/555347619.db2.gz RDHAMMIUVZQKEC-SSEXGKCCSA-N 1 2 557.691 4.686 50 0 KJAALO COc1ccc(OC)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCc3ccccn3)co2)c1 ZINC000103277644 555350045 /nfs/dbraw/zinc/35/00/45/555350045.db2.gz PZVHXPSRYZLBIO-UHFFFAOYSA-N 1 2 539.636 4.786 50 0 KJAALO COc1ccc(OC)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCc3ccccn3)co2)c1 ZINC000103277644 555350040 /nfs/dbraw/zinc/35/00/40/555350040.db2.gz PZVHXPSRYZLBIO-UHFFFAOYSA-N 1 2 539.636 4.786 50 0 KJAALO COc1ccc(CC[N@@H+](Cc2nc(C(=O)NCCN3CCOCC3)cs2)Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000103296888 555354690 /nfs/dbraw/zinc/35/46/90/555354690.db2.gz WDXVCJVYZAOLQG-UHFFFAOYSA-N 1 2 580.795 4.765 50 0 KJAALO COc1ccc(CC[N@H+](Cc2nc(C(=O)NCCN3CCOCC3)cs2)Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000103296888 555354686 /nfs/dbraw/zinc/35/46/86/555354686.db2.gz WDXVCJVYZAOLQG-UHFFFAOYSA-N 1 2 580.795 4.765 50 0 KJAALO Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(CC[NH+]2CCOCC2)C(=O)Cc2ccccc2)cc1 ZINC000103306317 555356396 /nfs/dbraw/zinc/35/63/96/555356396.db2.gz PSWKQJBKMBWWPF-UHFFFAOYSA-N 1 2 572.109 4.843 50 0 KJAALO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCOCC3)C[C@H](OCc3cccc(F)c3F)[C@@H]2O1 ZINC000103362932 555365260 /nfs/dbraw/zinc/36/52/60/555365260.db2.gz LZFNRVCWRUGBMJ-WLZBTTNTSA-N 1 2 628.635 4.587 50 0 KJAALO CC1(C)O[C@@H]2C[C@@](OCc3cccc(C(F)(F)F)c3)(C(=O)NCC[NH+]3CCOCC3)C[C@@H](OCc3cccc(F)c3F)[C@@H]2O1 ZINC000103362936 555365295 /nfs/dbraw/zinc/36/52/95/555365295.db2.gz LZFNRVCWRUGBMJ-SBWMLCTNSA-N 1 2 628.635 4.587 50 0 KJAALO C[C@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000103375187 555369841 /nfs/dbraw/zinc/36/98/41/555369841.db2.gz QQQBZVZWWRDRJO-CQSZACIVSA-N 1 2 536.403 4.514 50 0 KJAALO C[C@@H]1[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000103375192 555369758 /nfs/dbraw/zinc/36/97/58/555369758.db2.gz QQQBZVZWWRDRJO-AWEZNQCLSA-N 1 2 536.403 4.514 50 0 KJAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1Cc1ccc(F)cc1 ZINC000103378467 555370750 /nfs/dbraw/zinc/37/07/50/555370750.db2.gz WFVLJKOSUZGUPX-HSZRJFAPSA-N 1 2 562.494 4.857 50 0 KJAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1Cc1ccc(F)cc1 ZINC000103378470 555370825 /nfs/dbraw/zinc/37/08/25/555370825.db2.gz WFVLJKOSUZGUPX-QHCPKHFHSA-N 1 2 562.494 4.857 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)cc2)C1 ZINC000103381173 555371746 /nfs/dbraw/zinc/37/17/46/555371746.db2.gz CCVBGCMFLZVAKP-RUZDIDTESA-N 1 2 577.726 4.958 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCN(c5ccccc5F)CC4)cc(C)[nH+]3)cc2)C1 ZINC000103381176 555371686 /nfs/dbraw/zinc/37/16/86/555371686.db2.gz CCVBGCMFLZVAKP-VWLOTQADSA-N 1 2 577.726 4.958 50 0 KJAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1Cc1ccccc1 ZINC000103382921 555372669 /nfs/dbraw/zinc/37/26/69/555372669.db2.gz WZFPMCLPQRNZPY-HSZRJFAPSA-N 1 2 544.504 4.718 50 0 KJAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)N1Cc1ccccc1 ZINC000103382927 555372738 /nfs/dbraw/zinc/37/27/38/555372738.db2.gz WZFPMCLPQRNZPY-QHCPKHFHSA-N 1 2 544.504 4.718 50 0 KJAALO O=C1[C@@H](Cc2ccccc2)[NH2+]C2(CCN(C(=S)Nc3cccc(Cl)c3)CC2)N1Cc1ccc2c(c1)OCO2 ZINC000103398928 555385231 /nfs/dbraw/zinc/38/52/31/555385231.db2.gz CRPKMGHOLSCSTM-XMMPIXPASA-N 1 2 549.096 4.801 50 0 KJAALO O=C1[C@H](Cc2ccccc2)[NH2+]C2(CCN(C(=S)Nc3cccc(Cl)c3)CC2)N1Cc1ccc2c(c1)OCO2 ZINC000103398931 555385307 /nfs/dbraw/zinc/38/53/07/555385307.db2.gz CRPKMGHOLSCSTM-DEOSSOPVSA-N 1 2 549.096 4.801 50 0 KJAALO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@H]12 ZINC000103405406 555391856 /nfs/dbraw/zinc/39/18/56/555391856.db2.gz ARSVDEYGLVYSND-OZXSUGGESA-N 1 2 502.416 4.505 50 0 KJAALO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@H]12 ZINC000103405408 555391728 /nfs/dbraw/zinc/39/17/28/555391728.db2.gz ARSVDEYGLVYSND-JYFHCDHNSA-N 1 2 502.416 4.505 50 0 KJAALO O=S(=O)(c1ccccc1Br)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103415050 555397476 /nfs/dbraw/zinc/39/74/76/555397476.db2.gz DMXOXBPETGQFQS-VWLOTQADSA-N 1 2 551.453 4.840 50 0 KJAALO O=S(=O)(c1ccccc1Br)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103415054 555397612 /nfs/dbraw/zinc/39/76/12/555397612.db2.gz DMXOXBPETGQFQS-RUZDIDTESA-N 1 2 551.453 4.840 50 0 KJAALO CC(C)N(C)c1nc(N2CCN(c3ccccc3)CC2)[nH+]c2c1CN(C(=O)c1ccc(C(F)(F)F)cc1)CC2 ZINC000103418437 555398401 /nfs/dbraw/zinc/39/84/01/555398401.db2.gz OMGUQOBLBZCVKB-UHFFFAOYSA-N 1 2 538.618 4.865 50 0 KJAALO O=C(NCC[NH+]1CCOCC1)c1cc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1cccc(F)c1 ZINC000103418715 555398459 /nfs/dbraw/zinc/39/84/59/555398459.db2.gz STYONLXMQQYBJB-UHFFFAOYSA-N 1 2 535.019 4.796 50 0 KJAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1OC ZINC000103419444 555399846 /nfs/dbraw/zinc/39/98/46/555399846.db2.gz PJDVWHZRFHRXFO-HHHXNRCGSA-N 1 2 545.655 4.816 50 0 KJAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1OC ZINC000103419446 555399875 /nfs/dbraw/zinc/39/98/75/555399875.db2.gz PJDVWHZRFHRXFO-MHZLTWQESA-N 1 2 545.655 4.816 50 0 KJAALO O=C(COc1ccc(Cl)cc1)Nc1ccc2c(cc(C(=O)NCC[NH+]3CCOCC3)n2Cc2ccccc2F)c1 ZINC000103419534 555399817 /nfs/dbraw/zinc/39/98/17/555399817.db2.gz AULWZEDRTJMBBM-UHFFFAOYSA-N 1 2 565.045 4.562 50 0 KJAALO COc1ccc([C@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000103421059 555401707 /nfs/dbraw/zinc/40/17/07/555401707.db2.gz VETYDNVJEKAECB-NDEPHWFRSA-N 1 2 541.692 4.986 50 0 KJAALO COc1ccc([C@@H](CC(=O)NCC[NH+]2CCOCC2)c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC ZINC000103421061 555401737 /nfs/dbraw/zinc/40/17/37/555401737.db2.gz VETYDNVJEKAECB-MUUNZHRXSA-N 1 2 541.692 4.986 50 0 KJAALO O=S(=O)(c1ccc(F)cc1Cl)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103422342 555403204 /nfs/dbraw/zinc/40/32/04/555403204.db2.gz QYRUTEDQSVRWNX-VWLOTQADSA-N 1 2 524.992 4.870 50 0 KJAALO O=S(=O)(c1ccc(F)cc1Cl)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103422344 555403083 /nfs/dbraw/zinc/40/30/83/555403083.db2.gz QYRUTEDQSVRWNX-RUZDIDTESA-N 1 2 524.992 4.870 50 0 KJAALO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc32)c1 ZINC000103428069 555409968 /nfs/dbraw/zinc/40/99/68/555409968.db2.gz COOUEDCRTACCEM-UHFFFAOYSA-N 1 2 567.111 4.514 50 0 KJAALO Cc1cccc(Cn2c(C(=O)NCC[NH+]3CCOCC3)cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc32)c1 ZINC000103428994 555411694 /nfs/dbraw/zinc/41/16/94/555411694.db2.gz RROPSQKGWSJMSX-UHFFFAOYSA-N 1 2 561.082 4.731 50 0 KJAALO O=C(CCN(CCc1ccccc1)c1nc(-c2cccc(Br)c2)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000103430670 555412851 /nfs/dbraw/zinc/41/28/51/555412851.db2.gz ZMMNCQGHSQHHNA-UHFFFAOYSA-N 1 2 588.550 4.947 50 0 KJAALO O=C(CCN(CCc1ccccc1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCC[NH+]1CCOCC1 ZINC000103433099 555415221 /nfs/dbraw/zinc/41/52/21/555415221.db2.gz DJGMNKQIFOXXEX-UHFFFAOYSA-N 1 2 544.099 4.838 50 0 KJAALO O=C(NC1CCN(c2ccccc2C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000103434219 555416810 /nfs/dbraw/zinc/41/68/10/555416810.db2.gz ZXXHXWIDAAXMAM-UHFFFAOYSA-N 1 2 538.479 4.750 50 0 KJAALO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103436909 555418257 /nfs/dbraw/zinc/41/82/57/555418257.db2.gz DHJGKHQVPQVOBA-UHFFFAOYSA-N 1 2 537.028 4.739 50 0 KJAALO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCO[C@@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103436992 555418597 /nfs/dbraw/zinc/41/85/97/555418597.db2.gz SCDBVEXWIZAXHB-SANMLTNESA-N 1 2 537.028 4.739 50 0 KJAALO COc1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1 ZINC000103436994 555418585 /nfs/dbraw/zinc/41/85/85/555418585.db2.gz SCDBVEXWIZAXHB-AREMUKBSSA-N 1 2 537.028 4.739 50 0 KJAALO COC(=O)c1ccc(CO[C@@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)c2ccc(Cl)cc2)cc1 ZINC000103444211 555420157 /nfs/dbraw/zinc/42/01/57/555420157.db2.gz CUEGBAIUPZPYDO-SANMLTNESA-N 1 2 561.075 4.839 50 0 KJAALO COC(=O)c1ccc(CO[C@H](C[NH+]2CCN(S(=O)(=O)c3cc(C)ccc3F)CC2)c2ccc(Cl)cc2)cc1 ZINC000103444213 555420182 /nfs/dbraw/zinc/42/01/82/555420182.db2.gz CUEGBAIUPZPYDO-AREMUKBSSA-N 1 2 561.075 4.839 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530972 555431167 /nfs/dbraw/zinc/43/11/67/555431167.db2.gz XEXABDNAKDLJKS-UEQYQIMASA-N 1 2 558.034 4.680 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530972 555431165 /nfs/dbraw/zinc/43/11/65/555431165.db2.gz XEXABDNAKDLJKS-UEQYQIMASA-N 1 2 558.034 4.680 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530978 555431129 /nfs/dbraw/zinc/43/11/29/555431129.db2.gz XEXABDNAKDLJKS-XQQDTOEMSA-N 1 2 558.034 4.680 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000103530978 555431128 /nfs/dbraw/zinc/43/11/28/555431128.db2.gz XEXABDNAKDLJKS-XQQDTOEMSA-N 1 2 558.034 4.680 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000103579886 555451223 /nfs/dbraw/zinc/45/12/23/555451223.db2.gz NSEDWHZEQABDRP-NSOVKSMOSA-N 1 2 503.618 4.786 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CCOC)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000103579886 555451219 /nfs/dbraw/zinc/45/12/19/555451219.db2.gz NSEDWHZEQABDRP-NSOVKSMOSA-N 1 2 503.618 4.786 50 0 KJAALO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@H]12 ZINC000103899887 571368967 /nfs/dbraw/zinc/36/89/67/571368967.db2.gz JQFMYEZPWCCJHB-IGKIAQTJSA-N 1 2 516.443 4.813 50 0 KJAALO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(c3cccc[nH+]3)C[C@H]12 ZINC000103899891 571368926 /nfs/dbraw/zinc/36/89/26/571368926.db2.gz JQFMYEZPWCCJHB-RPLLCQBOSA-N 1 2 516.443 4.813 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821954 571386434 /nfs/dbraw/zinc/38/64/34/571386434.db2.gz ODIIDJFISNHRAN-GUSUARRKSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000104821954 571386433 /nfs/dbraw/zinc/38/64/33/571386433.db2.gz ODIIDJFISNHRAN-GUSUARRKSA-N 1 2 528.008 4.753 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(OC)c3)[C@H](C)c3ccccc3)n2)C1 ZINC000104966807 571388627 /nfs/dbraw/zinc/38/86/27/571388627.db2.gz GAPISDFEORFRQK-ZJSXRUAMSA-N 1 2 505.615 4.862 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(OC)c3)[C@H](C)c3ccccc3)n2)C1 ZINC000104966807 571388626 /nfs/dbraw/zinc/38/86/26/571388626.db2.gz GAPISDFEORFRQK-ZJSXRUAMSA-N 1 2 505.615 4.862 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(OC)c3)[C@H](C)c3ccccc3)n2)C1 ZINC000104966811 571388599 /nfs/dbraw/zinc/38/85/99/571388599.db2.gz GAPISDFEORFRQK-QPPBQGQZSA-N 1 2 505.615 4.862 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(OC)c3)[C@H](C)c3ccccc3)n2)C1 ZINC000104966811 571388597 /nfs/dbraw/zinc/38/85/97/571388597.db2.gz GAPISDFEORFRQK-QPPBQGQZSA-N 1 2 505.615 4.862 50 0 KJAALO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984621 571388708 /nfs/dbraw/zinc/38/87/08/571388708.db2.gz QIBQNQZVOVXALC-XZOQPEGZSA-N 1 2 509.002 4.812 50 0 KJAALO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984621 571388707 /nfs/dbraw/zinc/38/87/07/571388707.db2.gz QIBQNQZVOVXALC-XZOQPEGZSA-N 1 2 509.002 4.812 50 0 KJAALO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984623 571388723 /nfs/dbraw/zinc/38/87/23/571388723.db2.gz QIBQNQZVOVXALC-DHIUTWEWSA-N 1 2 509.002 4.812 50 0 KJAALO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C[C@H]1CC(c2ccc3c(c2)OCO3)=NO1 ZINC000104984623 571388722 /nfs/dbraw/zinc/38/87/22/571388722.db2.gz QIBQNQZVOVXALC-DHIUTWEWSA-N 1 2 509.002 4.812 50 0 KJAALO C[C@H]1CCc2c(sc3nc(C[N@H+](Cc4ccccc4)C[C@@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000104989747 571388756 /nfs/dbraw/zinc/38/87/56/571388756.db2.gz JIQLOOHNPQYVMI-NZQKXSOJSA-N 1 2 503.668 4.689 50 0 KJAALO C[C@H]1CCc2c(sc3nc(C[N@@H+](Cc4ccccc4)C[C@@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000104989747 571388754 /nfs/dbraw/zinc/38/87/54/571388754.db2.gz JIQLOOHNPQYVMI-NZQKXSOJSA-N 1 2 503.668 4.689 50 0 KJAALO Cc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000105054652 571390383 /nfs/dbraw/zinc/39/03/83/571390383.db2.gz MRNSFGQFVXLCQD-MUUNZHRXSA-N 1 2 555.741 4.683 50 0 KJAALO Cc1cc(C)c(S(=O)(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)c(C)c1 ZINC000105054652 571390382 /nfs/dbraw/zinc/39/03/82/571390382.db2.gz MRNSFGQFVXLCQD-MUUNZHRXSA-N 1 2 555.741 4.683 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000105059384 571390611 /nfs/dbraw/zinc/39/06/11/571390611.db2.gz ULDPECOIJNHTRZ-WXTAPIANSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000105059384 571390609 /nfs/dbraw/zinc/39/06/09/571390609.db2.gz ULDPECOIJNHTRZ-WXTAPIANSA-N 1 2 512.050 4.861 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000105060281 571390832 /nfs/dbraw/zinc/39/08/32/571390832.db2.gz SOZXPTMKMWYRBL-JPZYQRIQSA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000105060281 571390831 /nfs/dbraw/zinc/39/08/31/571390831.db2.gz SOZXPTMKMWYRBL-JPZYQRIQSA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000105061063 571390829 /nfs/dbraw/zinc/39/08/29/571390829.db2.gz XEVWTVBIUYVMIN-XHCCPWGMSA-N 1 2 524.086 4.731 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000105061063 571390828 /nfs/dbraw/zinc/39/08/28/571390828.db2.gz XEVWTVBIUYVMIN-XHCCPWGMSA-N 1 2 524.086 4.731 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000105061106 571390931 /nfs/dbraw/zinc/39/09/31/571390931.db2.gz YDGUXYLNCJGVGF-NFQMXDRXSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000105061106 571390930 /nfs/dbraw/zinc/39/09/30/571390930.db2.gz YDGUXYLNCJGVGF-NFQMXDRXSA-N 1 2 506.647 4.908 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000105061164 571391004 /nfs/dbraw/zinc/39/10/04/571391004.db2.gz FRCJWUHSOQLHPW-YKGWIAGDSA-N 1 2 581.804 4.923 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000105061164 571391002 /nfs/dbraw/zinc/39/10/02/571391002.db2.gz FRCJWUHSOQLHPW-YKGWIAGDSA-N 1 2 581.804 4.923 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000105150752 571391741 /nfs/dbraw/zinc/39/17/41/571391741.db2.gz NVGWBTUCNHPKKW-IWVFXYMLSA-N 1 2 517.670 4.699 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000105150752 571391740 /nfs/dbraw/zinc/39/17/40/571391740.db2.gz NVGWBTUCNHPKKW-IWVFXYMLSA-N 1 2 517.670 4.699 50 0 KJAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+](Cc3ccc(SC)cc3)C2)nn1 ZINC000105429863 1066396934 /nfs/dbraw/zinc/39/69/34/1066396934.db2.gz UJJTVNNKCWPZNY-SQHAQQRYSA-N 1 2 541.677 4.508 50 0 KJAALO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@H+](Cc3ccc(SC)cc3)C2)nn1 ZINC000105429863 1066396921 /nfs/dbraw/zinc/39/69/21/1066396921.db2.gz UJJTVNNKCWPZNY-SQHAQQRYSA-N 1 2 541.677 4.508 50 0 KJAALO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)c(OC)c1OC ZINC000106031068 1066506341 /nfs/dbraw/zinc/50/63/41/1066506341.db2.gz SGKCRGMDEXDLNN-UHFFFAOYSA-N 1 2 569.580 4.850 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108447381 571423607 /nfs/dbraw/zinc/42/36/07/571423607.db2.gz DJLNTCRLEVPJJT-DODOAAEWSA-N 1 2 642.797 4.644 50 0 biogenic KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4[nH]c(CC(C)C)[nH+]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108448530 571424174 /nfs/dbraw/zinc/42/41/74/571424174.db2.gz WHBNPIZYXNLZDH-DEOSSOPVSA-N 1 2 613.715 4.988 50 0 biogenic KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CCN(c4cccc[nH+]4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449516 571424819 /nfs/dbraw/zinc/42/48/19/571424819.db2.gz KVNZXJZFUDHMES-NDEPHWFRSA-N 1 2 643.785 4.579 50 0 biogenic KJAALO CCOC(=O)C1=C(C[N@@H+](C[C@@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000108965812 571427812 /nfs/dbraw/zinc/42/78/12/571427812.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1C[N@H+](CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000108965812 571427811 /nfs/dbraw/zinc/42/78/11/571427811.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1C[N@@H+](CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000108965812 571427809 /nfs/dbraw/zinc/42/78/09/571427809.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1C[N@@H+](CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000108965812 571427807 /nfs/dbraw/zinc/42/78/07/571427807.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(c2ccccc2)=NC(=O)N[C@H]1C[N@H+](CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000108965812 571427805 /nfs/dbraw/zinc/42/78/05/571427805.db2.gz VSMBPHQITDNJDH-QVWWMRLHSA-N 1 2 643.785 4.928 50 0 KJAALO O=C(N/C(=C\c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CC[NH+](/C=C\c2ccccc2)CC1)c1ccccc1 ZINC000113561152 571440130 /nfs/dbraw/zinc/44/01/30/571440130.db2.gz HIIHDHQGPVNGPB-PRWWZWSXSA-N 1 2 588.755 4.575 50 0 KJAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1ccccc1Cl ZINC000113562761 571440473 /nfs/dbraw/zinc/44/04/73/571440473.db2.gz LJMQFUKXIFZEIC-HHHXNRCGSA-N 1 2 622.168 4.848 50 0 KJAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1ccccc1Cl ZINC000113562764 571440495 /nfs/dbraw/zinc/44/04/95/571440495.db2.gz LJMQFUKXIFZEIC-MHZLTWQESA-N 1 2 622.168 4.848 50 0 KJAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1cccc(Cl)c1 ZINC000113563633 571440602 /nfs/dbraw/zinc/44/06/02/571440602.db2.gz AMDYJHKNWQKDAZ-HHHXNRCGSA-N 1 2 622.168 4.848 50 0 KJAALO O=C(COC(=O)c1ccc(N2C(=O)C[C@H](SC(=S)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1)c1cccc(Cl)c1 ZINC000113563635 571440621 /nfs/dbraw/zinc/44/06/21/571440621.db2.gz AMDYJHKNWQKDAZ-MHZLTWQESA-N 1 2 622.168 4.848 50 0 KJAALO COc1ccc(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCCC4)c3)c3c(=O)[nH]c(=S)n(-c4ccc(OC)cc4)c3O)c(=O)[nH]c2=S)cc1 ZINC000150390645 571472846 /nfs/dbraw/zinc/47/28/46/571472846.db2.gz KIHKUDDOQKSPGY-UHFFFAOYSA-N 1 2 715.854 4.959 50 0 KJAALO COc1ccc(C(c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)cc1C[NH+]1CCOCC1 ZINC000150406565 571479886 /nfs/dbraw/zinc/47/98/86/571479886.db2.gz ZFFZVNSBKQTWPA-HHHXNRCGSA-N 1 2 685.828 4.557 50 0 KJAALO COc1ccc(C(c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)c2c(O)n(-c3ccccc3)c(=S)n(C)c2=O)cc1C[NH+]1CCOCC1 ZINC000150406570 571479868 /nfs/dbraw/zinc/47/98/68/571479868.db2.gz ZFFZVNSBKQTWPA-MHZLTWQESA-N 1 2 685.828 4.557 50 0 KJAALO O=C(c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000150414333 571485056 /nfs/dbraw/zinc/48/50/56/571485056.db2.gz HIBJCULYZSIUNF-IAPPQJPRSA-N 1 2 702.675 4.993 50 0 KJAALO COc1ccc(OC)c(-n2c(O)c(C(c3ccc(OC)c(C[NH+]4CCCCC4)c3)c3c(=O)[nH]c(=S)n(-c4cc(OC)ccc4OC)c3O)c(=O)[nH]c2=S)c1 ZINC000150448929 571501666 /nfs/dbraw/zinc/50/16/66/571501666.db2.gz SJSZUVFKZKJPBS-UHFFFAOYSA-N 1 2 775.906 4.976 50 0 KJAALO Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc4c(c3)Cc3cc(S(=O)(=O)N5CC[NH+](CCOc6ccc(C)cc6)CC5)ccc3-4)CC2)cc1 ZINC000150463586 571507250 /nfs/dbraw/zinc/50/72/50/571507250.db2.gz JNYDQBVPWRJFLL-UHFFFAOYSA-N 1 2 730.953 4.645 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653087 571525761 /nfs/dbraw/zinc/52/57/61/571525761.db2.gz PLLXLGGKWZGILZ-PMERELPUSA-N 1 2 700.833 4.908 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653601 571526157 /nfs/dbraw/zinc/52/61/57/571526157.db2.gz OKUFVMIQIJJJIX-IVMVZBHWSA-N 1 2 654.808 4.913 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653873 571526419 /nfs/dbraw/zinc/52/64/19/571526419.db2.gz UQAVXBXWJWRLHR-SMCANUKXSA-N 1 2 674.864 4.741 50 0 KJAALO C[C@@H]1CCc2c(sc3nc(C[N@H+](Cc4ccccc4)C[C@@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000169677496 571555056 /nfs/dbraw/zinc/55/50/56/571555056.db2.gz JIQLOOHNPQYVMI-NFBKMPQASA-N 1 2 503.668 4.689 50 0 KJAALO C[C@@H]1CCc2c(sc3nc(C[N@@H+](Cc4ccccc4)C[C@@H](O)COCc4ccccc4)[nH]c(=O)c23)C1 ZINC000169677496 571555054 /nfs/dbraw/zinc/55/50/54/571555054.db2.gz JIQLOOHNPQYVMI-NFBKMPQASA-N 1 2 503.668 4.689 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169677821 571555318 /nfs/dbraw/zinc/55/53/18/571555318.db2.gz XEVWTVBIUYVMIN-UZTOHYMASA-N 1 2 524.086 4.731 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169677821 571555315 /nfs/dbraw/zinc/55/53/15/571555315.db2.gz XEVWTVBIUYVMIN-UZTOHYMASA-N 1 2 524.086 4.731 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680828 571556927 /nfs/dbraw/zinc/55/69/27/571556927.db2.gz ZXLCILVQXQKEKX-CCLHPLFOSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680828 571556926 /nfs/dbraw/zinc/55/69/26/571556926.db2.gz ZXLCILVQXQKEKX-CCLHPLFOSA-N 1 2 506.647 4.908 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169680837 571557017 /nfs/dbraw/zinc/55/70/17/571557017.db2.gz WLRDEZBETMPNGR-UZTOHYMASA-N 1 2 522.646 4.608 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169680837 571557015 /nfs/dbraw/zinc/55/70/15/571557015.db2.gz WLRDEZBETMPNGR-UZTOHYMASA-N 1 2 522.646 4.608 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000169680868 571557287 /nfs/dbraw/zinc/55/72/87/571557287.db2.gz QOTJJZOGZBEEPZ-KCWXNJEJSA-N 1 2 517.695 4.640 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(OC)cc3)C[C@@H]2C)cc1 ZINC000169680868 571557285 /nfs/dbraw/zinc/55/72/85/571557285.db2.gz QOTJJZOGZBEEPZ-KCWXNJEJSA-N 1 2 517.695 4.640 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680876 571557105 /nfs/dbraw/zinc/55/71/05/571557105.db2.gz SOZXPTMKMWYRBL-WKRVVKTRSA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680876 571557104 /nfs/dbraw/zinc/55/71/04/571557104.db2.gz SOZXPTMKMWYRBL-WKRVVKTRSA-N 1 2 575.756 4.779 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680916 571557235 /nfs/dbraw/zinc/55/72/35/571557235.db2.gz FRCJWUHSOQLHPW-SMSORMJASA-N 1 2 581.804 4.923 50 0 KJAALO COc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680916 571557234 /nfs/dbraw/zinc/55/72/34/571557234.db2.gz FRCJWUHSOQLHPW-SMSORMJASA-N 1 2 581.804 4.923 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169681907 571557729 /nfs/dbraw/zinc/55/77/29/571557729.db2.gz YIFYXZPYPXPKJI-CCLHPLFOSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c1 ZINC000169681907 571557728 /nfs/dbraw/zinc/55/77/28/571557728.db2.gz YIFYXZPYPXPKJI-CCLHPLFOSA-N 1 2 506.647 4.908 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169681970 571557772 /nfs/dbraw/zinc/55/77/72/571557772.db2.gz IIYHWCQIZSDOFP-UZTOHYMASA-N 1 2 522.646 4.608 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169681970 571557771 /nfs/dbraw/zinc/55/77/71/571557771.db2.gz IIYHWCQIZSDOFP-UZTOHYMASA-N 1 2 522.646 4.608 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169681991 571557783 /nfs/dbraw/zinc/55/77/83/571557783.db2.gz YDGUXYLNCJGVGF-CCLHPLFOSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169681991 571557782 /nfs/dbraw/zinc/55/77/82/571557782.db2.gz YDGUXYLNCJGVGF-CCLHPLFOSA-N 1 2 506.647 4.908 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1cccc(C)c1 ZINC000169773538 571560271 /nfs/dbraw/zinc/56/02/71/571560271.db2.gz WDANRQSFIBKQSZ-IHLOFXLRSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1cccc(C)c1 ZINC000169773538 571560268 /nfs/dbraw/zinc/56/02/68/571560268.db2.gz WDANRQSFIBKQSZ-IHLOFXLRSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1cccc(C)c1 ZINC000169773540 571560213 /nfs/dbraw/zinc/56/02/13/571560213.db2.gz WDANRQSFIBKQSZ-KYJUHHDHSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1cccc(C)c1 ZINC000169773540 571560210 /nfs/dbraw/zinc/56/02/10/571560210.db2.gz WDANRQSFIBKQSZ-KYJUHHDHSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1ccccc1 ZINC000169773546 571560238 /nfs/dbraw/zinc/56/02/38/571560238.db2.gz JOLIJXLIYLKNGF-WDYNHAJCSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1ccccc1 ZINC000169773546 571560235 /nfs/dbraw/zinc/56/02/35/571560235.db2.gz JOLIJXLIYLKNGF-WDYNHAJCSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1ccccc1 ZINC000169773548 571560198 /nfs/dbraw/zinc/56/01/98/571560198.db2.gz JOLIJXLIYLKNGF-VMPREFPWSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]12)c1ccccc1 ZINC000169773548 571560195 /nfs/dbraw/zinc/56/01/95/571560195.db2.gz JOLIJXLIYLKNGF-VMPREFPWSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1cccc(C)c1 ZINC000169774565 571560172 /nfs/dbraw/zinc/56/01/72/571560172.db2.gz ZZXXFRABEWBEDS-IHLOFXLRSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1cccc(C)c1 ZINC000169774565 571560169 /nfs/dbraw/zinc/56/01/69/571560169.db2.gz ZZXXFRABEWBEDS-IHLOFXLRSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1cccc(C)c1 ZINC000169774567 571560255 /nfs/dbraw/zinc/56/02/55/571560255.db2.gz ZZXXFRABEWBEDS-KYJUHHDHSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1cccc(C)c1 ZINC000169774567 571560252 /nfs/dbraw/zinc/56/02/52/571560252.db2.gz ZZXXFRABEWBEDS-KYJUHHDHSA-N 1 2 527.665 4.882 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1ccccc1 ZINC000169774577 571560180 /nfs/dbraw/zinc/56/01/80/571560180.db2.gz BOKMQKFWICTEBD-WDYNHAJCSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1ccccc1 ZINC000169774577 571560178 /nfs/dbraw/zinc/56/01/78/571560178.db2.gz BOKMQKFWICTEBD-WDYNHAJCSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1ccccc1 ZINC000169774579 571560246 /nfs/dbraw/zinc/56/02/46/571560246.db2.gz BOKMQKFWICTEBD-VMPREFPWSA-N 1 2 513.638 4.573 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12)c1ccccc1 ZINC000169774579 571560244 /nfs/dbraw/zinc/56/02/44/571560244.db2.gz BOKMQKFWICTEBD-VMPREFPWSA-N 1 2 513.638 4.573 50 0 KJAALO CC[C@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000195531220 571563717 /nfs/dbraw/zinc/56/37/17/571563717.db2.gz GCHRASSKSQPLPL-XLGIIRLISA-N 1 2 584.812 4.737 50 0 KJAALO CCOC(=O)C1=C(C[N@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563614 /nfs/dbraw/zinc/56/36/14/571563614.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(C[N@@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563612 /nfs/dbraw/zinc/56/36/12/571563612.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1C[N@H+](CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000195532242 571563611 /nfs/dbraw/zinc/56/36/11/571563611.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1C[N@@H+](CC1=NC(=O)N[C@H](c2ccccc2)C1C(=O)OCC)C1CCCCCCC1 ZINC000195532242 571563609 /nfs/dbraw/zinc/56/36/09/571563609.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(C[N@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563608 /nfs/dbraw/zinc/56/36/08/571563608.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 1 2 643.785 4.928 50 0 KJAALO CCOC(=O)C1C(C[N@@H+](C[C@H]2NC(=O)N=C(c3ccccc3)C2C(=O)OCC)C2CCCCCCC2)=NC(=O)N[C@@H]1c1ccccc1 ZINC000195532242 571563606 /nfs/dbraw/zinc/56/36/06/571563606.db2.gz VSMBPHQITDNJDH-WXGMZPBLSA-N 1 2 643.785 4.928 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)Nc3ccc4[nH]c(CC(C)C)[nH+]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000206251453 571572468 /nfs/dbraw/zinc/57/24/68/571572468.db2.gz WHBNPIZYXNLZDH-XMMPIXPASA-N 1 2 613.715 4.988 50 0 KJAALO COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000207556604 1067164689 /nfs/dbraw/zinc/16/46/89/1067164689.db2.gz IZKMVPQFMQPPSK-JJIBRWJFSA-N 1 2 549.425 4.892 50 0 KJAALO COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CC[NH+](/C=C/c4ccccc4)CC3)c2c1 ZINC000215699946 571584850 /nfs/dbraw/zinc/58/48/50/571584850.db2.gz VGMMHAOVWQHDCR-RWNIHDCOSA-N 1 2 506.606 4.763 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000229615815 572156992 /nfs/dbraw/zinc/15/69/92/572156992.db2.gz XEXABDNAKDLJKS-FKVXNAHKSA-N 1 2 558.034 4.680 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@@H+]3[C@@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000229615815 572156988 /nfs/dbraw/zinc/15/69/88/572156988.db2.gz XEXABDNAKDLJKS-FKVXNAHKSA-N 1 2 558.034 4.680 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000229616523 572156964 /nfs/dbraw/zinc/15/69/64/572156964.db2.gz INYHJVWLZRVBPT-YRAGKPRHSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@@]3(c4ccccc4NC3=O)[C@@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000229616523 572156961 /nfs/dbraw/zinc/15/69/61/572156961.db2.gz INYHJVWLZRVBPT-YRAGKPRHSA-N 1 2 555.590 4.989 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229860617 572161997 /nfs/dbraw/zinc/16/19/97/572161997.db2.gz ODIIDJFISNHRAN-UWUVRSBPSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229860617 572161993 /nfs/dbraw/zinc/16/19/93/572161993.db2.gz ODIIDJFISNHRAN-UWUVRSBPSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000229868156 572163074 /nfs/dbraw/zinc/16/30/74/572163074.db2.gz IQUHXFHRBYUFTH-JNPKELFRSA-N 1 2 528.008 4.753 50 0 KJAALO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000229868156 572163067 /nfs/dbraw/zinc/16/30/67/572163067.db2.gz IQUHXFHRBYUFTH-JNPKELFRSA-N 1 2 528.008 4.753 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000230068445 572182380 /nfs/dbraw/zinc/18/23/80/572182380.db2.gz YLWVDSAFYFTOFP-CONSDPRKSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000230068445 572182376 /nfs/dbraw/zinc/18/23/76/572182376.db2.gz YLWVDSAFYFTOFP-CONSDPRKSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000230068448 572182218 /nfs/dbraw/zinc/18/22/18/572182218.db2.gz YLWVDSAFYFTOFP-JSOSNVBQSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1cccc(C)c1 ZINC000230068448 572182212 /nfs/dbraw/zinc/18/22/12/572182212.db2.gz YLWVDSAFYFTOFP-JSOSNVBQSA-N 1 2 575.706 4.973 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000230068497 572182436 /nfs/dbraw/zinc/18/24/36/572182436.db2.gz HMTXWIXQRNJAAW-KYJUHHDHSA-N 1 2 561.679 4.664 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000230068497 572182433 /nfs/dbraw/zinc/18/24/33/572182433.db2.gz HMTXWIXQRNJAAW-KYJUHHDHSA-N 1 2 561.679 4.664 50 0 KJAALO CC[N@@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000230068507 572182247 /nfs/dbraw/zinc/18/22/47/572182247.db2.gz HMTXWIXQRNJAAW-IHLOFXLRSA-N 1 2 561.679 4.664 50 0 KJAALO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000230068507 572182243 /nfs/dbraw/zinc/18/22/43/572182243.db2.gz HMTXWIXQRNJAAW-IHLOFXLRSA-N 1 2 561.679 4.664 50 0 KJAALO COc1c(I)cc(Cn2c(C)[nH+]c3ccccc32)cc1I ZINC000242614840 572198655 /nfs/dbraw/zinc/19/86/55/572198655.db2.gz PJTJBRXLJFSQFJ-UHFFFAOYSA-N 1 2 504.109 4.611 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226338 560037272 /nfs/dbraw/zinc/03/72/72/560037272.db2.gz RHERRZJDVNWUSM-GOEWEAILSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226338 560037271 /nfs/dbraw/zinc/03/72/71/560037271.db2.gz RHERRZJDVNWUSM-GOEWEAILSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226339 560037220 /nfs/dbraw/zinc/03/72/20/560037220.db2.gz RHERRZJDVNWUSM-HPKXWHFBSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226339 560037219 /nfs/dbraw/zinc/03/72/19/560037219.db2.gz RHERRZJDVNWUSM-HPKXWHFBSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226340 560037249 /nfs/dbraw/zinc/03/72/49/560037249.db2.gz RHERRZJDVNWUSM-LFGPKHSOSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(OC)cc2)sc2c1CCCC2 ZINC000245226340 560037248 /nfs/dbraw/zinc/03/72/48/560037248.db2.gz RHERRZJDVNWUSM-LFGPKHSOSA-N 1 2 512.672 4.729 50 0 biogenic,in-vitro KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245281402 572225280 /nfs/dbraw/zinc/22/52/80/572225280.db2.gz YIFYXZPYPXPKJI-NFQMXDRXSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245281402 572225277 /nfs/dbraw/zinc/22/52/77/572225277.db2.gz YIFYXZPYPXPKJI-NFQMXDRXSA-N 1 2 506.647 4.908 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245309081 572227051 /nfs/dbraw/zinc/22/70/51/572227051.db2.gz APWLYEYWBQTTAV-CWTOASCOSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245309081 572227050 /nfs/dbraw/zinc/22/70/50/572227050.db2.gz APWLYEYWBQTTAV-CWTOASCOSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245309082 572227058 /nfs/dbraw/zinc/22/70/58/572227058.db2.gz APWLYEYWBQTTAV-XDZXDJIYSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245309082 572227057 /nfs/dbraw/zinc/22/70/57/572227057.db2.gz APWLYEYWBQTTAV-XDZXDJIYSA-N 1 2 528.008 4.541 50 0 KJAALO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000245309648 572227554 /nfs/dbraw/zinc/22/75/54/572227554.db2.gz DSHVRJVWSJFLAQ-BKKFENPESA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000245309648 572227551 /nfs/dbraw/zinc/22/75/51/572227551.db2.gz DSHVRJVWSJFLAQ-BKKFENPESA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245309649 572227673 /nfs/dbraw/zinc/22/76/73/572227673.db2.gz DSHVRJVWSJFLAQ-ROXDYWFKSA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245309649 572227672 /nfs/dbraw/zinc/22/76/72/572227672.db2.gz DSHVRJVWSJFLAQ-ROXDYWFKSA-N 1 2 529.980 4.511 50 0 KJAALO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000245310726 572228943 /nfs/dbraw/zinc/22/89/43/572228943.db2.gz KFBOGCQHWYTUFR-FICKONGGSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000245310726 572228940 /nfs/dbraw/zinc/22/89/40/572228940.db2.gz KFBOGCQHWYTUFR-FICKONGGSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245310729 572228740 /nfs/dbraw/zinc/22/87/40/572228740.db2.gz KFBOGCQHWYTUFR-YYGZZXRFSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(CN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)ccc4OC)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000245310729 572228736 /nfs/dbraw/zinc/22/87/36/572228736.db2.gz KFBOGCQHWYTUFR-YYGZZXRFSA-N 1 2 544.007 4.507 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245311101 572228706 /nfs/dbraw/zinc/22/87/06/572228706.db2.gz MKKQYJCEOADSAI-NGSHPTGOSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245311101 572228704 /nfs/dbraw/zinc/22/87/04/572228704.db2.gz MKKQYJCEOADSAI-NGSHPTGOSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245311103 572228597 /nfs/dbraw/zinc/22/85/97/572228597.db2.gz MKKQYJCEOADSAI-VPBXCIAMSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245311103 572228593 /nfs/dbraw/zinc/22/85/93/572228593.db2.gz MKKQYJCEOADSAI-VPBXCIAMSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245311973 572229503 /nfs/dbraw/zinc/22/95/03/572229503.db2.gz REQIYZZZVKWZGF-NGSHPTGOSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245311973 572229499 /nfs/dbraw/zinc/22/94/99/572229499.db2.gz REQIYZZZVKWZGF-NGSHPTGOSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245311974 572229365 /nfs/dbraw/zinc/22/93/65/572229365.db2.gz REQIYZZZVKWZGF-VPBXCIAMSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245311974 572229361 /nfs/dbraw/zinc/22/93/61/572229361.db2.gz REQIYZZZVKWZGF-VPBXCIAMSA-N 1 2 517.944 4.642 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245313059 572230860 /nfs/dbraw/zinc/23/08/60/572230860.db2.gz ZKJXRHVXXVVYBF-NGSHPTGOSA-N 1 2 506.002 4.631 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245313059 572230858 /nfs/dbraw/zinc/23/08/58/572230858.db2.gz ZKJXRHVXXVVYBF-NGSHPTGOSA-N 1 2 506.002 4.631 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000245313061 572231057 /nfs/dbraw/zinc/23/10/57/572231057.db2.gz ZKJXRHVXXVVYBF-VPBXCIAMSA-N 1 2 506.002 4.631 50 0 KJAALO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000245313061 572231055 /nfs/dbraw/zinc/23/10/55/572231055.db2.gz ZKJXRHVXXVVYBF-VPBXCIAMSA-N 1 2 506.002 4.631 50 0 KJAALO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCCC[C@H]4C)cc(CC)[nH+]3)o2)C1 ZINC000245326503 572233043 /nfs/dbraw/zinc/23/30/43/572233043.db2.gz FNEDCPJMASHION-MOPGFXCFSA-N 1 2 500.665 4.718 50 0 KJAALO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(N4CCCC[C@H]4C)cc(CC)[nH+]3)o2)C1 ZINC000245326505 572232842 /nfs/dbraw/zinc/23/28/42/572232842.db2.gz FNEDCPJMASHION-RTBURBONSA-N 1 2 500.665 4.718 50 0 KJAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245326532 572233015 /nfs/dbraw/zinc/23/30/15/572233015.db2.gz FRSITMUKKSXEAR-HFJWLAOPSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245326532 572233012 /nfs/dbraw/zinc/23/30/12/572233012.db2.gz FRSITMUKKSXEAR-HFJWLAOPSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245326534 572232933 /nfs/dbraw/zinc/23/29/33/572232933.db2.gz FRSITMUKKSXEAR-WXTAPIANSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245326534 572232932 /nfs/dbraw/zinc/23/29/32/572232932.db2.gz FRSITMUKKSXEAR-WXTAPIANSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)NCc1ccccc1 ZINC000245326669 572232943 /nfs/dbraw/zinc/23/29/43/572232943.db2.gz GWVPYOARSCMZKI-RBTNQOKQSA-N 1 2 520.674 4.667 50 0 KJAALO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000245326935 572232809 /nfs/dbraw/zinc/23/28/09/572232809.db2.gz HGMUNXUBKKZJLQ-YWEHKCAJSA-N 1 2 510.767 4.681 50 0 KJAALO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000245326935 572232805 /nfs/dbraw/zinc/23/28/05/572232805.db2.gz HGMUNXUBKKZJLQ-YWEHKCAJSA-N 1 2 510.767 4.681 50 0 KJAALO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000245326935 572232801 /nfs/dbraw/zinc/23/28/01/572232801.db2.gz HGMUNXUBKKZJLQ-YWEHKCAJSA-N 1 2 510.767 4.681 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245327065 572233742 /nfs/dbraw/zinc/23/37/42/572233742.db2.gz IIYHWCQIZSDOFP-XHCCPWGMSA-N 1 2 522.646 4.608 50 0 KJAALO COc1ccccc1NC(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245327065 572233741 /nfs/dbraw/zinc/23/37/41/572233741.db2.gz IIYHWCQIZSDOFP-XHCCPWGMSA-N 1 2 522.646 4.608 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000245329077 572235335 /nfs/dbraw/zinc/23/53/35/572235335.db2.gz QOTJJZOGZBEEPZ-ONOMSOESSA-N 1 2 517.695 4.640 50 0 KJAALO CCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(OC)cc3)C[C@H]2C)cc1 ZINC000245329077 572235331 /nfs/dbraw/zinc/23/53/31/572235331.db2.gz QOTJJZOGZBEEPZ-ONOMSOESSA-N 1 2 517.695 4.640 50 0 KJAALO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000245329633 572236058 /nfs/dbraw/zinc/23/60/58/572236058.db2.gz ULDPECOIJNHTRZ-HFJWLAOPSA-N 1 2 512.050 4.861 50 0 KJAALO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccccc1Cl ZINC000245329633 572236056 /nfs/dbraw/zinc/23/60/56/572236056.db2.gz ULDPECOIJNHTRZ-HFJWLAOPSA-N 1 2 512.050 4.861 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245330000 572236080 /nfs/dbraw/zinc/23/60/80/572236080.db2.gz WLRDEZBETMPNGR-XHCCPWGMSA-N 1 2 522.646 4.608 50 0 KJAALO COc1cccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245330000 572236077 /nfs/dbraw/zinc/23/60/77/572236077.db2.gz WLRDEZBETMPNGR-XHCCPWGMSA-N 1 2 522.646 4.608 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000245330453 572236359 /nfs/dbraw/zinc/23/63/59/572236359.db2.gz YYVQOMKVKDVQPK-RXYILKCJSA-N 1 2 511.732 4.980 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000245330453 572236357 /nfs/dbraw/zinc/23/63/57/572236357.db2.gz YYVQOMKVKDVQPK-RXYILKCJSA-N 1 2 511.732 4.980 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000245330454 572236403 /nfs/dbraw/zinc/23/64/03/572236403.db2.gz YYVQOMKVKDVQPK-RZIGYZOXSA-N 1 2 511.732 4.980 50 0 KJAALO CCCC[C@H](CC)C(=O)N1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000245330454 572236400 /nfs/dbraw/zinc/23/64/00/572236400.db2.gz YYVQOMKVKDVQPK-RZIGYZOXSA-N 1 2 511.732 4.980 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247708480 572243465 /nfs/dbraw/zinc/24/34/65/572243465.db2.gz HDSJDKPRQJNMIT-NGSHPTGOSA-N 1 2 547.489 4.588 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247708480 572243461 /nfs/dbraw/zinc/24/34/61/572243461.db2.gz HDSJDKPRQJNMIT-NGSHPTGOSA-N 1 2 547.489 4.588 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000247708483 572243565 /nfs/dbraw/zinc/24/35/65/572243565.db2.gz HDSJDKPRQJNMIT-VPBXCIAMSA-N 1 2 547.489 4.588 50 0 KJAALO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000247708483 572243564 /nfs/dbraw/zinc/24/35/64/572243564.db2.gz HDSJDKPRQJNMIT-VPBXCIAMSA-N 1 2 547.489 4.588 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809958 572245270 /nfs/dbraw/zinc/24/52/70/572245270.db2.gz BZEBSKPDAZNBEI-IUGBQFMMSA-N 1 2 500.636 4.859 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809958 572245268 /nfs/dbraw/zinc/24/52/68/572245268.db2.gz BZEBSKPDAZNBEI-IUGBQFMMSA-N 1 2 500.636 4.859 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809961 572245351 /nfs/dbraw/zinc/24/53/51/572245351.db2.gz BZEBSKPDAZNBEI-NFCJYOSASA-N 1 2 500.636 4.859 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809961 572245349 /nfs/dbraw/zinc/24/53/49/572245349.db2.gz BZEBSKPDAZNBEI-NFCJYOSASA-N 1 2 500.636 4.859 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809963 572245264 /nfs/dbraw/zinc/24/52/64/572245264.db2.gz BZEBSKPDAZNBEI-ZJSFPPFMSA-N 1 2 500.636 4.859 50 0 KJAALO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)sc2c1CCCC2 ZINC000247809963 572245260 /nfs/dbraw/zinc/24/52/60/572245260.db2.gz BZEBSKPDAZNBEI-ZJSFPPFMSA-N 1 2 500.636 4.859 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000247947538 572250394 /nfs/dbraw/zinc/25/03/94/572250394.db2.gz XEXABDNAKDLJKS-VTNMBEIJSA-N 1 2 558.034 4.680 50 0 KJAALO COc1ccc(C(=O)[C@@H]2[C@]3(C(=O)Nc4ccccc43)[C@@H]3CCC[N@@H+]3[C@]23C(=O)Nc2c3cc(C)cc2Cl)cc1OC ZINC000247947538 572250391 /nfs/dbraw/zinc/25/03/91/572250391.db2.gz XEXABDNAKDLJKS-VTNMBEIJSA-N 1 2 558.034 4.680 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CCN(c5cccc[nH+]5)C[C@H]43)C2=O)cc1 ZINC000248288027 572257781 /nfs/dbraw/zinc/25/77/81/572257781.db2.gz HINDZKFFIZMCJN-ABYGYWHVSA-N 1 2 574.479 4.681 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CCN(c5cccc[nH+]5)C[C@H]43)C2=O)cc1 ZINC000248288030 572257759 /nfs/dbraw/zinc/25/77/59/572257759.db2.gz HINDZKFFIZMCJN-SVEHJYQDSA-N 1 2 574.479 4.681 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CCN(c5cccc[nH+]5)C[C@H]43)C2=O)cc1 ZINC000248288225 572257722 /nfs/dbraw/zinc/25/77/22/572257722.db2.gz HMGXSRUEKJVLTR-ABYGYWHVSA-N 1 2 530.028 4.572 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CCN(c5cccc[nH+]5)C[C@H]43)C2=O)cc1 ZINC000248288228 572257739 /nfs/dbraw/zinc/25/77/39/572257739.db2.gz HMGXSRUEKJVLTR-SVEHJYQDSA-N 1 2 530.028 4.572 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5cccc[nH+]5)C[C@H]43)C2=O)cc1 ZINC000248321923 572257987 /nfs/dbraw/zinc/25/79/87/572257987.db2.gz VIIJCHKFDAITMS-ABYGYWHVSA-N 1 2 563.580 4.938 50 0 KJAALO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(c5cccc[nH+]5)C[C@H]43)C2=O)cc1 ZINC000248321924 572257997 /nfs/dbraw/zinc/25/79/97/572257997.db2.gz VIIJCHKFDAITMS-SVEHJYQDSA-N 1 2 563.580 4.938 50 0 KJAALO O=C(CC(c1ccccc1)c1ccccc1)N1CC[NH+](CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000252510196 572262163 /nfs/dbraw/zinc/26/21/63/572262163.db2.gz ZDQRANLOGTZOLK-UHFFFAOYSA-N 1 2 517.629 4.802 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252527798 572262475 /nfs/dbraw/zinc/26/24/75/572262475.db2.gz DJLNTCRLEVPJJT-ANHUGMMASA-N 1 2 642.797 4.644 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252527799 572262515 /nfs/dbraw/zinc/26/25/15/572262515.db2.gz DJLNTCRLEVPJJT-SJHOIFEDSA-N 1 2 642.797 4.644 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000252527800 572262525 /nfs/dbraw/zinc/26/25/25/572262525.db2.gz DJLNTCRLEVPJJT-ZBWWXOROSA-N 1 2 642.797 4.644 50 0 KJAALO O=S(=O)(c1ccc(-c2csc(=Nc3ccccc3)n2CCC[NH+]2CCOCC2)cc1)N1CCCCCC1 ZINC000252677419 572280725 /nfs/dbraw/zinc/28/07/25/572280725.db2.gz YRANRTGHLCDGJK-UHFFFAOYSA-N 1 2 540.755 4.736 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000253389022 572283202 /nfs/dbraw/zinc/28/32/02/572283202.db2.gz ZXLCILVQXQKEKX-NFQMXDRXSA-N 1 2 506.647 4.908 50 0 KJAALO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000253389022 572283199 /nfs/dbraw/zinc/28/31/99/572283199.db2.gz ZXLCILVQXQKEKX-NFQMXDRXSA-N 1 2 506.647 4.908 50 0 KJAALO O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389514 572283407 /nfs/dbraw/zinc/28/34/07/572283407.db2.gz NVGWBTUCNHPKKW-QXTIUPHPSA-N 1 2 517.670 4.699 50 0 KJAALO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389514 572283406 /nfs/dbraw/zinc/28/34/06/572283406.db2.gz NVGWBTUCNHPKKW-QXTIUPHPSA-N 1 2 517.670 4.699 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000253487319 572290497 /nfs/dbraw/zinc/29/04/97/572290497.db2.gz INYHJVWLZRVBPT-GGVMLGSCSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000253487319 572290495 /nfs/dbraw/zinc/29/04/95/572290495.db2.gz INYHJVWLZRVBPT-GGVMLGSCSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000253487320 572290479 /nfs/dbraw/zinc/29/04/79/572290479.db2.gz INYHJVWLZRVBPT-IDFSYQMWSA-N 1 2 555.590 4.989 50 0 KJAALO CC(=O)Oc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccnc3)[C@]3(c4ccccc4NC3=O)[C@@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000253487320 572290477 /nfs/dbraw/zinc/29/04/77/572290477.db2.gz INYHJVWLZRVBPT-IDFSYQMWSA-N 1 2 555.590 4.989 50 0 KJAALO CCCC[N@@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21)c1ccccc1 ZINC000253530826 572298505 /nfs/dbraw/zinc/29/85/05/572298505.db2.gz AZABILWINVDWIA-JOCHJYFZSA-N 1 2 538.714 4.930 50 0 KJAALO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc21)c1ccccc1 ZINC000253530826 572298504 /nfs/dbraw/zinc/29/85/04/572298504.db2.gz AZABILWINVDWIA-JOCHJYFZSA-N 1 2 538.714 4.930 50 0 KJAALO CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)NCC[NH+]1CCN(C(=NNc2cc(Cl)ccc2Cl)C(=O)OCC)CC1 ZINC000254379653 1067143963 /nfs/dbraw/zinc/14/39/63/1067143963.db2.gz UJMQHQKJRVYQRI-UHFFFAOYSA-N 1 2 647.391 4.785 50 0 KJAALO COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585496 572118827 /nfs/dbraw/zinc/11/88/27/572118827.db2.gz JHTWKOASSUGNIQ-RUZDIDTESA-N 1 2 559.615 4.778 50 0 KJAALO COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585496 572118823 /nfs/dbraw/zinc/11/88/23/572118823.db2.gz JHTWKOASSUGNIQ-RUZDIDTESA-N 1 2 559.615 4.778 50 0 KJAALO COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585497 572118847 /nfs/dbraw/zinc/11/88/47/572118847.db2.gz JHTWKOASSUGNIQ-VWLOTQADSA-N 1 2 559.615 4.778 50 0 KJAALO COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585497 572118844 /nfs/dbraw/zinc/11/88/44/572118844.db2.gz JHTWKOASSUGNIQ-VWLOTQADSA-N 1 2 559.615 4.778 50 0 KJAALO COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585693 572119841 /nfs/dbraw/zinc/11/98/41/572119841.db2.gz LLLOKNQFZHUCEX-DEOSSOPVSA-N 1 2 521.610 4.739 50 0 KJAALO COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585693 572119840 /nfs/dbraw/zinc/11/98/40/572119840.db2.gz LLLOKNQFZHUCEX-DEOSSOPVSA-N 1 2 521.610 4.739 50 0 KJAALO COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585694 572119732 /nfs/dbraw/zinc/11/97/32/572119732.db2.gz LLLOKNQFZHUCEX-XMMPIXPASA-N 1 2 521.610 4.739 50 0 KJAALO COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263585694 572119729 /nfs/dbraw/zinc/11/97/29/572119729.db2.gz LLLOKNQFZHUCEX-XMMPIXPASA-N 1 2 521.610 4.739 50 0 KJAALO COc1ccc2cc([C@@H]3c4cn(C(C)C)c5cccc(c45)NC4=C3C(=O)N(C(C)=O)C4)c(N3CCOCC3)[nH+]c2c1 ZINC000263585701 572119702 /nfs/dbraw/zinc/11/97/02/572119702.db2.gz LMZRCBOOEWHSGJ-MUUNZHRXSA-N 1 2 551.647 4.816 50 0 KJAALO COc1ccc2cc([C@H]3c4cn(C(C)C)c5cccc(c45)NC4=C3C(=O)N(C(C)=O)C4)c(N3CCOCC3)[nH+]c2c1 ZINC000263585702 572119661 /nfs/dbraw/zinc/11/96/61/572119661.db2.gz LMZRCBOOEWHSGJ-NDEPHWFRSA-N 1 2 551.647 4.816 50 0 KJAALO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CC[NH+](CCOc2ccc(OC)cc2)CC1 ZINC000263585771 572119615 /nfs/dbraw/zinc/11/96/15/572119615.db2.gz MGLQXUPNYIZFTC-ITHXBFNESA-N 1 2 716.876 4.921 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586063 572121444 /nfs/dbraw/zinc/12/14/44/572121444.db2.gz PLSFLPXBIJOHMP-HSZRJFAPSA-N 1 2 545.588 4.876 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586063 572121441 /nfs/dbraw/zinc/12/14/41/572121441.db2.gz PLSFLPXBIJOHMP-HSZRJFAPSA-N 1 2 545.588 4.876 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586064 572121622 /nfs/dbraw/zinc/12/16/22/572121622.db2.gz PLSFLPXBIJOHMP-QHCPKHFHSA-N 1 2 545.588 4.876 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2ccccc2)o1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586064 572121621 /nfs/dbraw/zinc/12/16/21/572121621.db2.gz PLSFLPXBIJOHMP-QHCPKHFHSA-N 1 2 545.588 4.876 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586089 572121655 /nfs/dbraw/zinc/12/16/55/572121655.db2.gz PXBCAQBQZMLCCS-DEOSSOPVSA-N 1 2 603.624 4.663 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586089 572121652 /nfs/dbraw/zinc/12/16/52/572121652.db2.gz PXBCAQBQZMLCCS-DEOSSOPVSA-N 1 2 603.624 4.663 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586090 572121577 /nfs/dbraw/zinc/12/15/77/572121577.db2.gz PXBCAQBQZMLCCS-XMMPIXPASA-N 1 2 603.624 4.663 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1oc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(=O)c1O ZINC000263586090 572121573 /nfs/dbraw/zinc/12/15/73/572121573.db2.gz PXBCAQBQZMLCCS-XMMPIXPASA-N 1 2 603.624 4.663 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586188 572122169 /nfs/dbraw/zinc/12/21/69/572122169.db2.gz RBKAKTGJTGYNRC-CMVGPNDKSA-N 1 2 639.753 4.694 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586189 572122144 /nfs/dbraw/zinc/12/21/44/572122144.db2.gz RBKAKTGJTGYNRC-VCTRWQRLSA-N 1 2 639.753 4.694 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@H](c3[nH+]ccn3C)c3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586268 572122456 /nfs/dbraw/zinc/12/24/56/572122456.db2.gz RXCNEKJSNDXPOJ-GIBUXBDZSA-N 1 2 653.780 4.939 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)N[C@@H](c3[nH+]ccn3C)c3ccccc3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586269 572122487 /nfs/dbraw/zinc/12/24/87/572122487.db2.gz RXCNEKJSNDXPOJ-ZIINUWHCSA-N 1 2 653.780 4.939 50 0 KJAALO CCOc1cc(C[N@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)Nc2ccc3nccnc3c2)ccc1O ZINC000299760764 572134848 /nfs/dbraw/zinc/13/48/48/572134848.db2.gz OVQZMPNWYDQKHL-OFNKIYASSA-N 1 2 501.612 4.503 50 0 KJAALO CCOc1cc(C[N@@H+]2C[C@H](Sc3ccccn3)C[C@H]2C(=O)Nc2ccc3nccnc3c2)ccc1O ZINC000299760764 572134844 /nfs/dbraw/zinc/13/48/44/572134844.db2.gz OVQZMPNWYDQKHL-OFNKIYASSA-N 1 2 501.612 4.503 50 0 KJAALO C[N@@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000299764796 1066392735 /nfs/dbraw/zinc/39/27/35/1066392735.db2.gz LPCYBOAGECKHHR-UHFFFAOYSA-N 1 2 567.690 4.889 50 0 KJAALO C[N@H+](Cc1nnc(-c2ccccc2)o1)Cc1cccc(OC2CCN(C(=O)c3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000299764796 1066392726 /nfs/dbraw/zinc/39/27/26/1066392726.db2.gz LPCYBOAGECKHHR-UHFFFAOYSA-N 1 2 567.690 4.889 50 0 KJAALO COc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CC[NH+](C/C=C/c6ccccc6)CC5)CC4)c3C2=O)cc1 ZINC000299776435 572136548 /nfs/dbraw/zinc/13/65/48/572136548.db2.gz BODFRPMOYVUBKG-RMKNXTFCSA-N 1 2 564.686 4.570 50 0 KJAALO CC1=CC(C)(C)N(C(=O)C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c2cc3c(cc21)OCCO3 ZINC000334160317 572153761 /nfs/dbraw/zinc/15/37/61/572153761.db2.gz AXZQYPXZFFHKJA-UHFFFAOYSA-N 1 2 501.549 4.827 50 0 KJAALO O=C(NCCCn1cc[nH+]c1)C1(N(CCc2c[nH]c3ccccc23)C(=O)c2ccccc2)CCSCC1 ZINC000575443887 1066468569 /nfs/dbraw/zinc/46/85/69/1066468569.db2.gz RXIFZDNFPCBRCB-UHFFFAOYSA-N 1 2 515.683 4.522 50 0 KJAALO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N1CC[NH+](CCn2c(C)ccc2C)CC1 ZINC000604405860 1066500854 /nfs/dbraw/zinc/50/08/54/1066500854.db2.gz SLLJRJTUYIIPAY-AVFXGLFGSA-N 1 2 687.882 4.952 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000604405884 1066500839 /nfs/dbraw/zinc/50/08/39/1066500839.db2.gz SRTBIUDMLJHVNE-DEOSSOPVSA-N 1 2 599.688 4.879 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604419206 1066480857 /nfs/dbraw/zinc/48/08/57/1066480857.db2.gz LSJSWWYZLRHSQE-IBGZPJMESA-N 1 2 515.488 4.802 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604419206 1066480851 /nfs/dbraw/zinc/48/08/51/1066480851.db2.gz LSJSWWYZLRHSQE-IBGZPJMESA-N 1 2 515.488 4.802 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000604419207 1066480746 /nfs/dbraw/zinc/48/07/46/1066480746.db2.gz LSJSWWYZLRHSQE-LJQANCHMSA-N 1 2 515.488 4.802 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000604419207 1066480739 /nfs/dbraw/zinc/48/07/39/1066480739.db2.gz LSJSWWYZLRHSQE-LJQANCHMSA-N 1 2 515.488 4.802 50 0 KJAALO O=S(=O)(c1ccc(Oc2cccnc2)cc1)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256173 1066501980 /nfs/dbraw/zinc/50/19/80/1066501980.db2.gz FLMWJVHTMNJIDI-UHFFFAOYSA-N 1 2 582.048 4.916 50 0 KJAALO Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)N1CCC([NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000618256673 1066501594 /nfs/dbraw/zinc/50/15/94/1066501594.db2.gz LIJTVVJNLZTOCV-UHFFFAOYSA-N 1 2 597.107 4.591 50 0 KJAALO COc1cc(-c2c3c(N)c(C(=O)Nc4ccc(F)cc4)sc3nc3c2C[N@@H+](C)CC3)cc(OC)c1OC ZINC000675028938 1066375574 /nfs/dbraw/zinc/37/55/74/1066375574.db2.gz CZGGTIWWVWDGSC-UHFFFAOYSA-N 1 2 522.602 4.951 50 0 KJAALO COc1cc(-c2c3c(N)c(C(=O)Nc4ccc(F)cc4)sc3nc3c2C[N@H+](C)CC3)cc(OC)c1OC ZINC000675028938 1066375563 /nfs/dbraw/zinc/37/55/63/1066375563.db2.gz CZGGTIWWVWDGSC-UHFFFAOYSA-N 1 2 522.602 4.951 50 0 KJAALO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4[nH]c(C)[nH+]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888089289 1066397317 /nfs/dbraw/zinc/39/73/17/1066397317.db2.gz SRTBIUDMLJHVNE-XMMPIXPASA-N 1 2 599.688 4.879 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000888089477 1066397781 /nfs/dbraw/zinc/39/77/81/1066397781.db2.gz GCOCUPCJLPCSGB-IBGZPJMESA-N 1 2 515.488 4.802 50 0 KJAALO COC(=O)C[C@@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089477 1066397766 /nfs/dbraw/zinc/39/77/66/1066397766.db2.gz GCOCUPCJLPCSGB-IBGZPJMESA-N 1 2 515.488 4.802 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH+]c[nH]2)c1=O ZINC000888089478 1066398072 /nfs/dbraw/zinc/39/80/72/1066398072.db2.gz GCOCUPCJLPCSGB-LJQANCHMSA-N 1 2 515.488 4.802 50 0 KJAALO COC(=O)C[C@H](c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(O)cc(C)n(CCc2c[nH]c[nH+]2)c1=O ZINC000888089478 1066398060 /nfs/dbraw/zinc/39/80/60/1066398060.db2.gz GCOCUPCJLPCSGB-LJQANCHMSA-N 1 2 515.488 4.802 50 0 KJAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856829 1066508163 /nfs/dbraw/zinc/50/81/63/1066508163.db2.gz SFPVPLQPTVCGAH-LSYYVWMOSA-N 1 2 555.597 4.838 50 0 KJAALO COc1ccc2cc1Oc1cccc(c1)CO[C@H]1C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]1NC(=O)CN(C)C2 ZINC000952856829 1066508154 /nfs/dbraw/zinc/50/81/54/1066508154.db2.gz SFPVPLQPTVCGAH-LSYYVWMOSA-N 1 2 555.597 4.838 50 0 KJAALO COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C[C@@H]1NC(=O)CC2 ZINC000952857908 1066508690 /nfs/dbraw/zinc/50/86/90/1066508690.db2.gz YGPDNLBHNJBOFP-WUFINQPMSA-N 1 2 552.631 4.536 50 0 KJAALO Cc1nc[nH]c1C[N@H+]1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952861592 1066508821 /nfs/dbraw/zinc/50/88/21/1066508821.db2.gz DZDABRJAWAPGCI-GDLZYMKVSA-N 1 2 510.594 4.876 50 0 KJAALO Cc1nc[nH]c1C[N@@H+]1CCc2cc3ccc2[C@H]1c1cccc(c1)OCCCNC(=O)c1cc(ccc1O)O3 ZINC000952861592 1066508806 /nfs/dbraw/zinc/50/88/06/1066508806.db2.gz DZDABRJAWAPGCI-GDLZYMKVSA-N 1 2 510.594 4.876 50 0 KJAALO Cc1[nH]c(CN2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)c[nH+]1 ZINC000952864824 1066510026 /nfs/dbraw/zinc/51/00/26/1066510026.db2.gz MEEAEZHLIBFAJN-GDLZYMKVSA-N 1 2 510.594 4.876 50 0 KJAALO COCCc1ncc(C[N@H+]2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)cn1 ZINC000952868181 1066509388 /nfs/dbraw/zinc/50/93/88/1066509388.db2.gz CPKXQSPHJGNKKN-JGCGQSQUSA-N 1 2 566.658 4.823 50 0 KJAALO COCCc1ncc(C[N@@H+]2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCNC(=O)c2cc(ccc2O)O4)cn1 ZINC000952868181 1066509379 /nfs/dbraw/zinc/50/93/79/1066509379.db2.gz CPKXQSPHJGNKKN-JGCGQSQUSA-N 1 2 566.658 4.823 50 0 KJAALO