smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(c2nc3c(cnn3-c3ccccc3)c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CC1 ZINC000000634613 551505862 /nfs/dbraw/zinc/50/58/62/551505862.db2.gz JMAVMDGAECIUEL-UHFFFAOYSA-N 1 0 544.707 4.479 50 0 KIAARO CCCN(CC(=O)Nc1nc(CC(=O)NCC[NH+]2CCCCC2)cs1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000698327 551528638 /nfs/dbraw/zinc/52/86/38/551528638.db2.gz DLWWUEDTZWJPQY-UHFFFAOYSA-N 1 0 540.517 4.085 50 0 KIAARO O=c1c2c3ccc(Br)c(OC[C@H](O)C[NH+]4CCCCC4)c3sc2nc2n1CCCCC2 ZINC000000787745 551542539 /nfs/dbraw/zinc/54/25/39/551542539.db2.gz BROZKSCYAHNXNW-OAHLLOKOSA-N 1 0 506.466 4.326 50 0 KIAARO O=c1c2c3ccc(Br)c(OC[C@@H](O)C[NH+]4CCCCC4)c3sc2nc2n1CCCCC2 ZINC000000787747 551542644 /nfs/dbraw/zinc/54/26/44/551542644.db2.gz BROZKSCYAHNXNW-HNNXBMFYSA-N 1 0 506.466 4.326 50 0 KIAARO CCOC(=O)c1c2ccc(Br)c(OC[C@H](O)C[NH2+]C3CCCCC3)c2sc1NC(C)=O ZINC000000823396 551544348 /nfs/dbraw/zinc/54/43/48/551544348.db2.gz QDMMAPZOBYICSQ-OAHLLOKOSA-N 1 0 513.454 4.461 50 0 KIAARO CCOC(=O)c1c2ccc(Br)c(OC[C@@H](O)C[NH2+]C3CCCCC3)c2sc1NC(C)=O ZINC000000823397 551544297 /nfs/dbraw/zinc/54/42/97/551544297.db2.gz QDMMAPZOBYICSQ-HNNXBMFYSA-N 1 0 513.454 4.461 50 0 KIAARO CCOC(=O)[C@@]1(CCC(C)C)C[C@](C)(C(=O)CS[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001249726 551632235 /nfs/dbraw/zinc/63/22/35/551632235.db2.gz QEMPJJYNAXEPPF-WOJBJXKFSA-N 1 0 552.305 4.256 50 0 KIAARO CCOC(=O)[C@]1(CCC(C)C)C[C@](C)(C(=O)CS[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001249727 551632201 /nfs/dbraw/zinc/63/22/01/551632201.db2.gz QEMPJJYNAXEPPF-UXHICEINSA-N 1 0 552.305 4.256 50 0 KIAARO CCOC(=O)[C@@]1(CCC(C)C)C[C@@](C)(C(=O)CS[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001249728 551632167 /nfs/dbraw/zinc/63/21/67/551632167.db2.gz QEMPJJYNAXEPPF-VQTJNVASSA-N 1 0 552.305 4.256 50 0 KIAARO CCOC(=O)[C@]1(CCC(C)C)C[C@@](C)(C(=O)CS[n+]2cc(Br)cc(Br)c2)OC1=O ZINC000001249729 551632231 /nfs/dbraw/zinc/63/22/31/551632231.db2.gz QEMPJJYNAXEPPF-PMACEKPBSA-N 1 0 552.305 4.256 50 0 KIAARO CCc1c2c(nc3ccc(OC(=O)N4CCC([NH+]5CCCCC5)CC4)cc31)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC ZINC000001612996 291835420 /nfs/dbraw/zinc/83/54/20/291835420.db2.gz UWKQSNNFCGGAFS-XIFFEERXSA-N 1 0 586.689 4.091 50 0 aggregator,biogenic,fda KIAARO COCCC[NH+]1CCN(c2nnc3n2-c2sc(Br)cc2C(c2ccccc2Cl)=NC3)CC1 ZINC000002049844 551738074 /nfs/dbraw/zinc/73/80/74/551738074.db2.gz DNGSMWKVABJHOC-UHFFFAOYSA-N 1 0 535.899 4.254 50 0 KIAARO C[NH2+][C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCN(c4ccccc4OC)CC3)c(=O)cc21 ZINC000002145932 551776127 /nfs/dbraw/zinc/77/61/27/551776127.db2.gz PATQVDXEEHNQRS-HSZRJFAPSA-N 1 0 531.653 4.282 50 0 KIAARO COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N32)cc(OC)c1OC ZINC000002151609 551778567 /nfs/dbraw/zinc/77/85/67/551778567.db2.gz VSHLVWWUNXGGHJ-QDPGVEIFSA-N 1 0 560.695 4.188 50 0 biogenic KIAARO COc1cc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC(C)(C)[NH2+]C(C)(C)C4)CC(=O)N32)cc(OC)c1OC ZINC000002151612 551778570 /nfs/dbraw/zinc/77/85/70/551778570.db2.gz VSHLVWWUNXGGHJ-LXFBAYGMSA-N 1 0 560.695 4.188 50 0 biogenic KIAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002212473 551794418 /nfs/dbraw/zinc/79/44/18/551794418.db2.gz BGHVDJNBCWPPKQ-DOGKRZLPSA-N 1 0 503.908 4.407 50 0 KIAARO CC1(C)CN=C(N2CC[NH+](C[C@H](O)Cn3c4ccccc4c4cc(Br)ccc43)CC2)S1 ZINC000002314889 552092334 /nfs/dbraw/zinc/09/23/34/552092334.db2.gz DIWHKVGYIDGIKS-SFHVURJKSA-N 1 0 501.494 4.417 50 0 KIAARO CC1(C)CN=C(N2CC[NH+](C[C@@H](O)Cn3c4ccccc4c4cc(Br)ccc43)CC2)S1 ZINC000002314890 552092386 /nfs/dbraw/zinc/09/23/86/552092386.db2.gz DIWHKVGYIDGIKS-GOSISDBHSA-N 1 0 501.494 4.417 50 0 KIAARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000002328261 552095674 /nfs/dbraw/zinc/09/56/74/552095674.db2.gz LZOTYZLKOZHFHC-DOGKRZLPSA-N 1 0 503.908 4.352 50 0 KIAARO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(NCCC[NH+](C)C)n1 ZINC000002393630 552109683 /nfs/dbraw/zinc/10/96/83/552109683.db2.gz CRKFSBBHJMETHI-UHFFFAOYSA-N 1 0 502.710 4.013 50 0 KIAARO CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3 ZINC000002397693 552110470 /nfs/dbraw/zinc/11/04/70/552110470.db2.gz ZNQBYXVNBFGLHO-UHFFFAOYSA-N 1 0 516.737 4.403 50 0 KIAARO CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(SCC[NH+](C)C)n1 ZINC000002421680 552115955 /nfs/dbraw/zinc/11/59/55/552115955.db2.gz RFVQVIWFZDEGTQ-UHFFFAOYSA-N 1 0 505.735 4.303 50 0 KIAARO Nc1cc(N)[nH+]c(SCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2-c2ccccc2)n1 ZINC000002586462 552131176 /nfs/dbraw/zinc/13/11/76/552131176.db2.gz IPNHRGUTYBFESO-UHFFFAOYSA-N 1 0 532.577 4.264 50 0 KIAARO COc1cc(C[NH2+]C(C)(C)CO)c(Br)cc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002884152 552209013 /nfs/dbraw/zinc/20/90/13/552209013.db2.gz WNSUMOLDWDJUDJ-UHFFFAOYSA-N 1 0 505.331 4.355 50 0 KIAARO O=c1cc(CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCCCC2)nc2ccc(Cl)cn12 ZINC000002932809 552226820 /nfs/dbraw/zinc/22/68/20/552226820.db2.gz QLMBZNNETODLTP-UHFFFAOYSA-N 1 0 502.065 4.288 50 0 KIAARO O=c1cc(CSc2nc3ccccc3c3nc(CC[NH+]4CCCCC4)nn32)nc2ccc(Br)cn12 ZINC000002969150 552242517 /nfs/dbraw/zinc/24/25/17/552242517.db2.gz KCYMXPYXHSPBNX-UHFFFAOYSA-N 1 0 550.486 4.369 50 0 KIAARO C[N@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)Cc1ccccc1 ZINC000003035925 552271348 /nfs/dbraw/zinc/27/13/48/552271348.db2.gz VKYFDMUEGJVWRR-KOEQRZSOSA-N 1 0 520.427 4.464 50 0 KIAARO CC1CC[NH+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Oc3ccccc32)CC1 ZINC000003035983 552271483 /nfs/dbraw/zinc/27/14/83/552271483.db2.gz GEVIQLLCTQFRTR-JJIBRWJFSA-N 1 0 512.448 4.454 50 0 KIAARO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000003065685 552284608 /nfs/dbraw/zinc/28/46/08/552284608.db2.gz UWRRBCYZENRUDP-UHFFFAOYSA-N 1 0 517.445 4.194 50 0 KIAARO CC(=O)n1cc([C@@H]2C(C(=O)OCc3ccccc3)[N+](=O)O[C@@H]2C(=O)OCc2ccccc2)c2ccccc21 ZINC000003142899 552295364 /nfs/dbraw/zinc/29/53/64/552295364.db2.gz YMRVQRGFJXVHDX-VPUSJEBWSA-N 1 0 512.518 4.137 50 0 KIAARO CC(=O)n1cc([C@H]2C(C(=O)OCc3ccccc3)[N+](=O)O[C@@H]2C(=O)OCc2ccccc2)c2ccccc21 ZINC000003142900 552295318 /nfs/dbraw/zinc/29/53/18/552295318.db2.gz YMRVQRGFJXVHDX-BDYUSTAISA-N 1 0 512.518 4.137 50 0 KIAARO CC(=O)n1cc([C@@H]2C(C(=O)OCc3ccccc3)[N+](=O)O[C@H]2C(=O)OCc2ccccc2)c2ccccc21 ZINC000003142901 552295371 /nfs/dbraw/zinc/29/53/71/552295371.db2.gz YMRVQRGFJXVHDX-XNMGPUDCSA-N 1 0 512.518 4.137 50 0 KIAARO CC(=O)n1cc([C@H]2C(C(=O)OCc3ccccc3)[N+](=O)O[C@H]2C(=O)OCc2ccccc2)c2ccccc21 ZINC000003142902 552295302 /nfs/dbraw/zinc/29/53/02/552295302.db2.gz YMRVQRGFJXVHDX-AHKZPQOWSA-N 1 0 512.518 4.137 50 0 KIAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000003226273 552312880 /nfs/dbraw/zinc/31/28/80/552312880.db2.gz YWHSLRWNUYHBSQ-ISKFKSNPSA-N 1 0 511.669 4.095 50 0 KIAARO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@@H]4C[N@@H+](C)CC[C@@H]43)cc2)cc1 ZINC000003275042 552333542 /nfs/dbraw/zinc/33/35/42/552333542.db2.gz GTPVVSLQHUGVDB-YTMVLYRLSA-N 1 0 549.693 4.432 50 0 KIAARO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000003358192 552369833 /nfs/dbraw/zinc/36/98/33/552369833.db2.gz ZTFMINBNRRXKEN-UHFFFAOYSA-N 1 0 527.090 4.230 50 0 KIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2c(F)cccc2F)C1 ZINC000003619973 552393251 /nfs/dbraw/zinc/39/32/51/552393251.db2.gz INYTZFBTLRHGKR-ITNZAGEZSA-N 1 0 551.432 4.409 50 0 KIAARO C[C@@H](CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1)C[NH+]1CCC(C)CC1 ZINC000003620011 552393458 /nfs/dbraw/zinc/39/34/58/552393458.db2.gz XAXQELIRKDVHSB-BVZFJXPGSA-N 1 0 515.452 4.131 50 0 KIAARO C[C@H](CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1)C[NH+]1CCC(C)CC1 ZINC000003620015 552393508 /nfs/dbraw/zinc/39/35/08/552393508.db2.gz XAXQELIRKDVHSB-CJAUYULYSA-N 1 0 515.452 4.131 50 0 KIAARO C[C@@H](CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1)C[NH+]1CCC(C)CC1 ZINC000003620018 552393455 /nfs/dbraw/zinc/39/34/55/552393455.db2.gz XAXQELIRKDVHSB-AVRWGWEMSA-N 1 0 515.452 4.131 50 0 KIAARO C[C@H](CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1)C[NH+]1CCC(C)CC1 ZINC000003620021 552393491 /nfs/dbraw/zinc/39/34/91/552393491.db2.gz XAXQELIRKDVHSB-IQGLISFBSA-N 1 0 515.452 4.131 50 0 KIAARO CC[NH+](CC)C[C@@H](C)CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003620044 552393507 /nfs/dbraw/zinc/39/35/07/552393507.db2.gz BEDAQSKMEABMHL-WNSKOXEYSA-N 1 0 523.859 4.394 50 0 KIAARO CC[NH+](CC)C[C@H](C)CNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003620045 552393513 /nfs/dbraw/zinc/39/35/13/552393513.db2.gz BEDAQSKMEABMHL-CMJOXMDJSA-N 1 0 523.859 4.394 50 0 KIAARO CC[NH+](CC)C[C@@H](C)CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003620046 552393447 /nfs/dbraw/zinc/39/34/47/552393447.db2.gz BEDAQSKMEABMHL-NPMXOYFQSA-N 1 0 523.859 4.394 50 0 KIAARO CC[NH+](CC)C[C@H](C)CNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003620050 552393440 /nfs/dbraw/zinc/39/34/40/552393440.db2.gz BEDAQSKMEABMHL-IQMFZBJNSA-N 1 0 523.859 4.394 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670428 552411204 /nfs/dbraw/zinc/41/12/04/552411204.db2.gz SDRMVKBGCUNIHL-DEOSSOPVSA-N 1 0 503.441 4.111 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(C)c(C)c1 ZINC000003670429 552411222 /nfs/dbraw/zinc/41/12/22/552411222.db2.gz SDRMVKBGCUNIHL-XMMPIXPASA-N 1 0 503.441 4.111 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670430 552411184 /nfs/dbraw/zinc/41/11/84/552411184.db2.gz HKOGIWYGMLYBFK-QFIPXVFZSA-N 1 0 509.832 4.148 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670431 552411225 /nfs/dbraw/zinc/41/12/25/552411225.db2.gz HKOGIWYGMLYBFK-JOCHJYFZSA-N 1 0 509.832 4.148 50 0 KIAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000003670616 552411677 /nfs/dbraw/zinc/41/16/77/552411677.db2.gz WBZTYLFYOYWDPH-RUZDIDTESA-N 1 0 515.452 4.255 50 0 KIAARO Cc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2CCCCC2)cc1C ZINC000003670617 552411631 /nfs/dbraw/zinc/41/16/31/552411631.db2.gz WBZTYLFYOYWDPH-VWLOTQADSA-N 1 0 515.452 4.255 50 0 KIAARO O=C(NCCC[NH+]1CCCCC1)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670618 552411645 /nfs/dbraw/zinc/41/16/45/552411645.db2.gz XAXBIPXJRXSPJF-HSZRJFAPSA-N 1 0 521.843 4.292 50 0 KIAARO O=C(NCCC[NH+]1CCCCC1)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccc(Cl)cc1 ZINC000003670619 552411673 /nfs/dbraw/zinc/41/16/73/552411673.db2.gz XAXBIPXJRXSPJF-QHCPKHFHSA-N 1 0 521.843 4.292 50 0 KIAARO CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC[NH2+]C[C@H](O)COc3ccc(O)cc3)cc2)cc1 ZINC000003939153 552423084 /nfs/dbraw/zinc/42/30/84/552423084.db2.gz NYYJKMXNVNFOFQ-MHZLTWQESA-N 1 0 584.739 4.467 50 0 aggregator,in-vivo KIAARO CC[NH2+]C1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000003948997 552423550 /nfs/dbraw/zinc/42/35/50/552423550.db2.gz UNAZAADNBYXMIV-UHFFFAOYSA-N 1 0 510.429 4.223 50 0 investigational KIAARO CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc(OCC)c1OCC ZINC000004123075 552441615 /nfs/dbraw/zinc/44/16/15/552441615.db2.gz VMFOPTNPYJITDC-UHFFFAOYSA-N 1 0 500.665 4.151 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004176760 552444698 /nfs/dbraw/zinc/44/46/98/552444698.db2.gz PWJGWNGQYAFLQF-RUZDIDTESA-N 1 0 586.158 4.047 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004176763 552444705 /nfs/dbraw/zinc/44/47/05/552444705.db2.gz PWJGWNGQYAFLQF-VWLOTQADSA-N 1 0 586.158 4.047 50 0 KIAARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177780 552445582 /nfs/dbraw/zinc/44/55/82/552445582.db2.gz RXSRDKXZVLHOCO-UHFFFAOYSA-N 1 0 532.732 4.212 50 0 KIAARO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000004177825 552445567 /nfs/dbraw/zinc/44/55/67/552445567.db2.gz HKJQMPHVZUMYQH-UHFFFAOYSA-N 1 0 520.721 4.069 50 0 KIAARO CC1(C)Cc2c(C(N)=O)c(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C(C)(C)[NH2+]1 ZINC000004177876 552445893 /nfs/dbraw/zinc/44/58/93/552445893.db2.gz RAYQXDTVLRUAQS-UHFFFAOYSA-N 1 0 552.722 4.400 50 0 KIAARO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000004733841 552474083 /nfs/dbraw/zinc/47/40/83/552474083.db2.gz ISEYYJNWPMXJOQ-VSGBNLITSA-N 1 0 516.642 4.038 50 0 KIAARO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1cccnc1)Cc1ccccc1 ZINC000004733848 552474063 /nfs/dbraw/zinc/47/40/63/552474063.db2.gz ISEYYJNWPMXJOQ-WUFINQPMSA-N 1 0 516.642 4.038 50 0 KIAARO COc1ccc(N2C(=O)CC[C@@H](C(=O)NCCC[NH+]3CCC(C)CC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000004756989 552475643 /nfs/dbraw/zinc/47/56/43/552475643.db2.gz XOTBXHHZRBJGLT-VAVYLYDRSA-N 1 0 523.674 4.435 50 0 KIAARO COc1ccc(N2C(=O)CC[C@H](C(=O)NCCC[NH+]3CCC(C)CC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 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552554385 /nfs/dbraw/zinc/55/43/85/552554385.db2.gz BEODIHVZHGLGJP-UHFFFAOYSA-N 1 0 516.063 4.107 50 0 KIAARO CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CC[NH+](C)CC4)cc3)c2C1 ZINC000006718665 552972437 /nfs/dbraw/zinc/97/24/37/552972437.db2.gz OBWNXGOQPLDDPS-UHFFFAOYSA-N 1 0 501.635 4.086 50 0 in-vitro KIAARO COc1cc(OC)cc(C(=O)NCCNC(=O)C[n+]2c3ccccc3n3nc4c5cccc6cccc(c4cc32)c56)c1 ZINC000008439401 553035784 /nfs/dbraw/zinc/03/57/84/553035784.db2.gz OABKIAPXZYKLLK-UHFFFAOYSA-O 1 0 558.618 4.139 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2([NH2+][C@H]3CCSC)c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000008439451 553035722 /nfs/dbraw/zinc/03/57/22/553035722.db2.gz QXDXCFYVNWKEGW-DPQXJIGJSA-N 1 0 545.636 4.107 50 0 KIAARO COc1ccc(N2C(=O)[C@H]3[C@@H](CCSC)[NH2+][C@]4(c5ccccc5N(Cc5ccccc5F)C4=O)[C@@H]3C2=O)cc1 ZINC000008439456 553035787 /nfs/dbraw/zinc/03/57/87/553035787.db2.gz QXDXCFYVNWKEGW-MVTRJSSCSA-N 1 0 545.636 4.107 50 0 KIAARO CCCC[N@H+](C)CCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008583545 553079966 /nfs/dbraw/zinc/07/99/66/553079966.db2.gz RWCCZVDIOJXGOE-UHFFFAOYSA-N 1 0 523.703 4.179 50 0 KIAARO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008591495 553082764 /nfs/dbraw/zinc/08/27/64/553082764.db2.gz OTDKOZWHSJTTLF-UHFFFAOYSA-N 1 0 500.622 4.361 50 0 KIAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000008591507 553082759 /nfs/dbraw/zinc/08/27/59/553082759.db2.gz MVMNMVXQSCUCQH-UHFFFAOYSA-N 1 0 507.013 4.398 50 0 KIAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000008596766 553091164 /nfs/dbraw/zinc/09/11/64/553091164.db2.gz NESXSINFTIVYHQ-UHFFFAOYSA-N 1 0 502.059 4.466 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596782 553091189 /nfs/dbraw/zinc/09/11/89/553091189.db2.gz JRUSYQARGRHZEY-JOCHJYFZSA-N 1 0 544.762 4.359 50 0 KIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596785 553091161 /nfs/dbraw/zinc/09/11/61/553091161.db2.gz JRUSYQARGRHZEY-QFIPXVFZSA-N 1 0 544.762 4.359 50 0 KIAARO CCC[NH+](CCC)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000008596790 553091197 /nfs/dbraw/zinc/09/11/97/553091197.db2.gz JRYKEIXAMBASPN-UHFFFAOYSA-N 1 0 532.751 4.217 50 0 KIAARO CCn1cc(C(=O)NCC[NH+](CC(C)C)CC(C)C)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000008596802 553091196 /nfs/dbraw/zinc/09/11/96/553091196.db2.gz QHGWCGBHZDTDQW-UHFFFAOYSA-N 1 0 546.778 4.318 50 0 KIAARO CC(C)C[NH+](CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O)CC(C)C ZINC000008596982 553091581 /nfs/dbraw/zinc/09/15/81/553091581.db2.gz CCBXPEVTEQIHJK-UHFFFAOYSA-N 1 0 546.778 4.226 50 0 KIAARO CCCC[N@H+](CC)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000008597078 553091895 /nfs/dbraw/zinc/09/18/95/553091895.db2.gz KMEVILIFYWHHTR-UHFFFAOYSA-N 1 0 552.741 4.010 50 0 KIAARO CCC[NH+](CCC)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000008597083 553091906 /nfs/dbraw/zinc/09/19/06/553091906.db2.gz DRBJVERSWDEREW-UHFFFAOYSA-N 1 0 552.741 4.010 50 0 KIAARO CCCC[NH+](CCCC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000008597098 553091934 /nfs/dbraw/zinc/09/19/34/553091934.db2.gz LCHWZUXNPUOMTI-UHFFFAOYSA-N 1 0 566.768 4.400 50 0 KIAARO Fc1ccc(N2CCN(Cc3cccn3-c3nnc(N4CC[NH+](C5CCCCC5)CC4)s3)CC2)cc1 ZINC000008597329 553092455 /nfs/dbraw/zinc/09/24/55/553092455.db2.gz ZYJAQZPOSLBTPQ-UHFFFAOYSA-N 1 0 509.699 4.245 50 0 KIAARO COc1ccc(CCNC(=O)C2CC[NH+](Cc3nc(-c4ccc(OC)c(OC)c4)oc3C)CC2)cc1OC ZINC000008597359 553092807 /nfs/dbraw/zinc/09/28/07/553092807.db2.gz HZKWYKWRMVHVOI-UHFFFAOYSA-N 1 0 523.630 4.255 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C(C)C)CC2)CC1 ZINC000008610350 553101184 /nfs/dbraw/zinc/10/11/84/553101184.db2.gz BELDQVRRXHSTJB-ZHACJKMWSA-N 1 0 528.719 4.194 50 0 KIAARO CN(C)c1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008695934 553124463 /nfs/dbraw/zinc/12/44/63/553124463.db2.gz OIHQDISUPQUNMQ-GDLZYMKVSA-N 1 0 584.790 4.116 50 0 KIAARO CN(C)c1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008695935 553124472 /nfs/dbraw/zinc/12/44/72/553124472.db2.gz OIHQDISUPQUNMQ-LJAQVGFWSA-N 1 0 584.790 4.116 50 0 KIAARO CN(C)c1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008695938 553124494 /nfs/dbraw/zinc/12/44/94/553124494.db2.gz HMZRSFZIQVDMPU-GDLZYMKVSA-N 1 0 602.780 4.255 50 0 KIAARO CN(C)c1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008695939 553124545 /nfs/dbraw/zinc/12/45/45/553124545.db2.gz HMZRSFZIQVDMPU-LJAQVGFWSA-N 1 0 602.780 4.255 50 0 KIAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008739356 553131320 /nfs/dbraw/zinc/13/13/20/553131320.db2.gz XDNRFRSLCLWCBS-UHFFFAOYSA-N 1 0 515.010 4.166 50 0 KIAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000008741208 553132347 /nfs/dbraw/zinc/13/23/47/553132347.db2.gz GIUOFXIDPQVIGI-UHFFFAOYSA-N 1 0 517.399 4.397 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008748353 553134214 /nfs/dbraw/zinc/13/42/14/553134214.db2.gz JPKPHDZSGHARSD-MUUNZHRXSA-N 1 0 571.747 4.058 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008748358 553134251 /nfs/dbraw/zinc/13/42/51/553134251.db2.gz JPKPHDZSGHARSD-NDEPHWFRSA-N 1 0 571.747 4.058 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000008748365 553134155 /nfs/dbraw/zinc/13/41/55/553134155.db2.gz VYMOXVHUJBMTQL-MUUNZHRXSA-N 1 0 589.737 4.197 50 0 KIAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000008766674 553139126 /nfs/dbraw/zinc/13/91/26/553139126.db2.gz PUCCBABBJILYCN-QHCPKHFHSA-N 1 0 576.141 4.397 50 0 KIAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCCN(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)C2)CC1 ZINC000008766678 553139214 /nfs/dbraw/zinc/13/92/14/553139214.db2.gz PUCCBABBJILYCN-HSZRJFAPSA-N 1 0 576.141 4.397 50 0 KIAARO O=C(Nc1ccccc1)c1c(=O)n(-c2ccccc2)[n-][n+]1C[C@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000008773557 553141535 /nfs/dbraw/zinc/14/15/35/553141535.db2.gz KAWAELBUICRTKJ-AREMUKBSSA-O 1 0 533.052 4.012 50 0 KIAARO O=C(Nc1ccccc1)c1c(=O)n(-c2ccccc2)[n-][n+]1C[C@@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000008773560 553141750 /nfs/dbraw/zinc/14/17/50/553141750.db2.gz KAWAELBUICRTKJ-SANMLTNESA-O 1 0 533.052 4.012 50 0 KIAARO Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCC[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000008813287 553150834 /nfs/dbraw/zinc/15/08/34/553150834.db2.gz XGPFOPHFSQHTCY-UHFFFAOYSA-N 1 0 505.684 4.158 50 0 KIAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000008813558 553151175 /nfs/dbraw/zinc/15/11/75/553151175.db2.gz CBGWBZPLLBGWRH-UHFFFAOYSA-N 1 0 511.732 4.232 50 0 KIAARO CCCC[N@H+](C)CCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000008814180 553151338 /nfs/dbraw/zinc/15/13/38/553151338.db2.gz TURPEHJNZFIKPS-UHFFFAOYSA-N 1 0 523.703 4.179 50 0 KIAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000008814292 553151676 /nfs/dbraw/zinc/15/16/76/553151676.db2.gz QSOLZLLAJYPAAQ-SZPZYZBQSA-N 1 0 537.730 4.473 50 0 KIAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c2c1 ZINC000008814293 553151637 /nfs/dbraw/zinc/15/16/37/553151637.db2.gz QSOLZLLAJYPAAQ-VXKWHMMOSA-N 1 0 537.730 4.473 50 0 KIAARO CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c2c1 ZINC000008814294 553151640 /nfs/dbraw/zinc/15/16/40/553151640.db2.gz QSOLZLLAJYPAAQ-FGZHOGPDSA-N 1 0 537.730 4.473 50 0 KIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000008834901 553161235 /nfs/dbraw/zinc/16/12/35/553161235.db2.gz QBNYEUSOSUNFOC-NRFANRHFSA-N 1 0 513.388 4.229 50 0 KIAARO OCCNc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000008856793 553167719 /nfs/dbraw/zinc/16/77/19/553167719.db2.gz AKPRRTFOJQTPCA-UHFFFAOYSA-N 1 0 533.599 4.009 50 0 KIAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000008868134 553170770 /nfs/dbraw/zinc/17/07/70/553170770.db2.gz NZAMWYOVJPKKPX-NZOAYYAZSA-N 1 0 511.597 4.387 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000008881695 553175933 /nfs/dbraw/zinc/17/59/33/553175933.db2.gz MHFZFDWKSYCOSP-UHFFFAOYSA-N 1 0 521.705 4.367 50 0 KIAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000008881832 553176084 /nfs/dbraw/zinc/17/60/84/553176084.db2.gz SOSPHIYNVOANAG-UHFFFAOYSA-N 1 0 526.684 4.084 50 0 KIAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000008911571 553183964 /nfs/dbraw/zinc/18/39/64/553183964.db2.gz ZWPSGEBQNAYHBR-PSWAGMNNSA-N 1 0 530.717 4.308 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1 ZINC000008912758 553185343 /nfs/dbraw/zinc/18/53/43/553185343.db2.gz AJHXNCDKTTYXDA-UHFFFAOYSA-N 1 0 514.095 4.037 50 0 KIAARO C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc1)C2=O ZINC000008918328 553188053 /nfs/dbraw/zinc/18/80/53/553188053.db2.gz QBWORKFPQNFUED-PMERELPUSA-N 1 0 513.642 4.447 50 0 biogenic KIAARO C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C2=O ZINC000008918434 553188316 /nfs/dbraw/zinc/18/83/16/553188316.db2.gz ONQAVGULSJCZEC-PMERELPUSA-N 1 0 513.642 4.447 50 0 biogenic KIAARO C[NH2+][C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(N3CCN(c4ccccc4OC)CC3)c(=O)cc21 ZINC000008964878 553194748 /nfs/dbraw/zinc/19/47/48/553194748.db2.gz PATQVDXEEHNQRS-QHCPKHFHSA-N 1 0 531.653 4.282 50 0 biogenic KIAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009019535 553201020 /nfs/dbraw/zinc/20/10/20/553201020.db2.gz YZFFKOISNBJKCS-UHFFFAOYSA-N 1 0 517.399 4.397 50 0 KIAARO Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCC([NH+]4CCCCC4)CC2)c2ccccc23)cc1C ZINC000009152494 553214659 /nfs/dbraw/zinc/21/46/59/553214659.db2.gz SHMLKVVNSWTCSS-UHFFFAOYSA-N 1 0 504.660 4.182 50 0 KIAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000009153833 553214674 /nfs/dbraw/zinc/21/46/74/553214674.db2.gz WRRYWAZMVOFNJJ-UHFFFAOYSA-N 1 0 504.585 4.192 50 0 KIAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000009193020 553218932 /nfs/dbraw/zinc/21/89/32/553218932.db2.gz PEWUKNMQXYIFIZ-UHFFFAOYSA-N 1 0 504.509 4.133 50 0 KIAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211112 553221158 /nfs/dbraw/zinc/22/11/58/553221158.db2.gz DHXKZOCSOSVELP-JOCHJYFZSA-N 1 0 519.694 4.313 50 0 KIAARO O=C(NCCC[N@H+](Cc1ccco1)C1CCCC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211113 553221086 /nfs/dbraw/zinc/22/10/86/553221086.db2.gz DHXKZOCSOSVELP-QFIPXVFZSA-N 1 0 519.694 4.313 50 0 KIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)cc1 ZINC000009211128 553221129 /nfs/dbraw/zinc/22/11/29/553221129.db2.gz KDICKATYQLAMGL-RUZDIDTESA-N 1 0 515.706 4.106 50 0 KIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)cc1 ZINC000009211129 553221122 /nfs/dbraw/zinc/22/11/22/553221122.db2.gz KDICKATYQLAMGL-VWLOTQADSA-N 1 0 515.706 4.106 50 0 KIAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211136 553221134 /nfs/dbraw/zinc/22/11/34/553221134.db2.gz DLXQIDMLWQCEFE-HSZRJFAPSA-N 1 0 536.124 4.451 50 0 KIAARO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211137 553221215 /nfs/dbraw/zinc/22/12/15/553221215.db2.gz DLXQIDMLWQCEFE-QHCPKHFHSA-N 1 0 536.124 4.451 50 0 KIAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009211138 553221146 /nfs/dbraw/zinc/22/11/46/553221146.db2.gz WMQCQMWWTVSKFJ-RUZDIDTESA-N 1 0 515.706 4.106 50 0 KIAARO Cc1ccccc1C[NH+]1CCC(CNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)CC1 ZINC000009211139 553221188 /nfs/dbraw/zinc/22/11/88/553221188.db2.gz WMQCQMWWTVSKFJ-VWLOTQADSA-N 1 0 515.706 4.106 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)o1 ZINC000009211144 553221101 /nfs/dbraw/zinc/22/11/01/553221101.db2.gz UZMOFRIJSVMATD-FGZHOGPDSA-N 1 0 519.694 4.443 50 0 KIAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)o1 ZINC000009211145 553221196 /nfs/dbraw/zinc/22/11/96/553221196.db2.gz UZMOFRIJSVMATD-YADHBBJMSA-N 1 0 519.694 4.443 50 0 KIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1 ZINC000009211148 553221075 /nfs/dbraw/zinc/22/10/75/553221075.db2.gz JYHAACABIRGFQQ-RUZDIDTESA-N 1 0 529.733 4.414 50 0 KIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)[C@H]3CCCN(c4ncnc5c4nc4n5CCCCC4)C3)CC2)c1 ZINC000009211149 553221208 /nfs/dbraw/zinc/22/12/08/553221208.db2.gz JYHAACABIRGFQQ-VWLOTQADSA-N 1 0 529.733 4.414 50 0 KIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211150 553221211 /nfs/dbraw/zinc/22/12/11/553221211.db2.gz RUAVJTVVXHZXPF-HSZRJFAPSA-N 1 0 536.124 4.451 50 0 KIAARO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211151 553221095 /nfs/dbraw/zinc/22/10/95/553221095.db2.gz RUAVJTVVXHZXPF-QHCPKHFHSA-N 1 0 536.124 4.451 50 0 KIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)o1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211152 553221079 /nfs/dbraw/zinc/22/10/79/553221079.db2.gz AQGIPYREKZUYTJ-OAQYLSRUSA-N 1 0 505.667 4.055 50 0 KIAARO O=C(NCc1ccc(C[NH+]2CCCCCC2)o1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000009211153 553221296 /nfs/dbraw/zinc/22/12/96/553221296.db2.gz AQGIPYREKZUYTJ-NRFANRHFSA-N 1 0 505.667 4.055 50 0 KIAARO COc1ccc(CC[NH+]2CCC(CNC(=O)c3cnn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000009227879 553222548 /nfs/dbraw/zinc/22/25/48/553222548.db2.gz TZCVOCKOHNIVBX-UHFFFAOYSA-N 1 0 539.721 4.228 50 0 KIAARO COc1ccccc1C[NH+]1CCC(CNC(=O)c2cnn(C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000009227881 553222556 /nfs/dbraw/zinc/22/25/56/553222556.db2.gz SGEHQDRYRBXCQK-UHFFFAOYSA-N 1 0 525.694 4.185 50 0 KIAARO Cc1ccc(C[NH+]2CCC(CNC(=O)c3cnn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 ZINC000009227884 553222570 /nfs/dbraw/zinc/22/25/70/553222570.db2.gz MMZRXTWKVOGTFJ-UHFFFAOYSA-N 1 0 509.695 4.485 50 0 KIAARO Cn1ncc(C(=O)NCC[NH+]2CCC(Cc3ccccc3)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000009227892 553222575 /nfs/dbraw/zinc/22/25/75/553222575.db2.gz VIHIWLUPLXJOCJ-UHFFFAOYSA-N 1 0 509.695 4.219 50 0 KIAARO Cc1ccc(C)c(N2CC[NH+](CCCNC(=O)c3cnn(C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000009227894 553222564 /nfs/dbraw/zinc/22/25/64/553222564.db2.gz VUVFSHXGJPKDST-UHFFFAOYSA-N 1 0 538.737 4.094 50 0 KIAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCC3)cnn2-c2ccc(F)cc2F)CC1 ZINC000009228036 553222915 /nfs/dbraw/zinc/22/29/15/553222915.db2.gz WUWLSNJMJHRLEN-UHFFFAOYSA-N 1 0 503.594 4.091 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000009267198 553230208 /nfs/dbraw/zinc/23/02/08/553230208.db2.gz NUZSQHLDDOYCAN-IMBSWCNGSA-N 1 0 514.944 4.128 50 0 KIAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(C)cc4)CC2)n3C)cc1 ZINC000009293075 553235337 /nfs/dbraw/zinc/23/53/37/553235337.db2.gz LEWAMVPSALIZHN-UHFFFAOYSA-N 1 0 513.642 4.273 50 0 KIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(OC)cc3)C2=O)cc1 ZINC000009363766 553248909 /nfs/dbraw/zinc/24/89/09/553248909.db2.gz NSSJOTGZWWFGEA-PTGBLXJZSA-N 1 0 525.627 4.259 50 0 KIAARO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000009391495 553254377 /nfs/dbraw/zinc/25/43/77/553254377.db2.gz RDSBYSYMJUXUBQ-UHFFFAOYSA-N 1 0 521.705 4.367 50 0 KIAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391499 553254362 /nfs/dbraw/zinc/25/43/62/553254362.db2.gz VPAFXUVVAZLJQR-UHFFFAOYSA-N 1 0 519.689 4.121 50 0 KIAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391502 553254396 /nfs/dbraw/zinc/25/43/96/553254396.db2.gz IAQGLXGSASMTNZ-MRXNPFEDSA-N 1 0 533.716 4.367 50 0 KIAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391504 553254383 /nfs/dbraw/zinc/25/43/83/553254383.db2.gz IAQGLXGSASMTNZ-INIZCTEOSA-N 1 0 533.716 4.367 50 0 KIAARO COC(=O)c1c2c(sc1NC(=O)c1ccc(S(=O)(=O)N3CCC(C)CC3)cc1)C(C)(C)[NH2+]C(C)(C)C2 ZINC000009391505 553254398 /nfs/dbraw/zinc/25/43/98/553254398.db2.gz CPXUEBDNGNORCQ-UHFFFAOYSA-N 1 0 533.716 4.367 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000009407105 553256343 /nfs/dbraw/zinc/25/63/43/553256343.db2.gz IJDIXTNUEUHLED-CLJLJLNGSA-N 1 0 504.656 4.066 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1cccs1 ZINC000009407106 553256365 /nfs/dbraw/zinc/25/63/65/553256365.db2.gz IJDIXTNUEUHLED-IZZNHLLZSA-N 1 0 504.656 4.066 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000009407107 553256399 /nfs/dbraw/zinc/25/63/99/553256399.db2.gz IJDIXTNUEUHLED-FTJBHMTQSA-N 1 0 504.656 4.066 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1cccs1 ZINC000009407108 553256332 /nfs/dbraw/zinc/25/63/32/553256332.db2.gz IJDIXTNUEUHLED-UIOOFZCWSA-N 1 0 504.656 4.066 50 0 KIAARO COc1ccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)cc1 ZINC000009407234 553256985 /nfs/dbraw/zinc/25/69/85/553256985.db2.gz XAHOKXNVQKGVCH-UHFFFAOYSA-N 1 0 514.601 4.081 50 0 KIAARO COc1cccc(-n2cc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3ccccc3c2=O)c1 ZINC000009407257 553256967 /nfs/dbraw/zinc/25/69/67/553256967.db2.gz MCEZINCADFROBX-UHFFFAOYSA-N 1 0 514.601 4.081 50 0 KIAARO Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000009407415 553256960 /nfs/dbraw/zinc/25/69/60/553256960.db2.gz OIVWNQWYNXOSBN-UHFFFAOYSA-N 1 0 521.666 4.323 50 0 KIAARO COc1ccc(-c2noc(N3CCC[C@H](C(=O)NCC4CC[NH+](Cc5cccc(C)c5)CC4)C3)n2)cc1 ZINC000009431697 553261179 /nfs/dbraw/zinc/26/11/79/553261179.db2.gz ODMUXDZVOIWRBN-VWLOTQADSA-N 1 0 503.647 4.298 50 0 KIAARO COc1ccc(-c2noc(N3CCC[C@@H](C(=O)NCC4CC[NH+](Cc5cccc(C)c5)CC4)C3)n2)cc1 ZINC000009431699 553261185 /nfs/dbraw/zinc/26/11/85/553261185.db2.gz ODMUXDZVOIWRBN-RUZDIDTESA-N 1 0 503.647 4.298 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009432711 553262665 /nfs/dbraw/zinc/26/26/65/553262665.db2.gz QQGZWCUVOFMRAI-KAYWLYCHSA-N 1 0 503.668 4.456 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009432712 553262696 /nfs/dbraw/zinc/26/26/96/553262696.db2.gz QQGZWCUVOFMRAI-SXOMAYOGSA-N 1 0 503.668 4.456 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009432713 553262642 /nfs/dbraw/zinc/26/26/42/553262642.db2.gz QQGZWCUVOFMRAI-RRPNLBNLSA-N 1 0 503.668 4.456 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009432714 553262645 /nfs/dbraw/zinc/26/26/45/553262645.db2.gz QQGZWCUVOFMRAI-SVBPBHIXSA-N 1 0 503.668 4.456 50 0 KIAARO Cn1c(CC[NH+]2CCN(c3ccccn3)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000009450497 553265963 /nfs/dbraw/zinc/26/59/63/553265963.db2.gz ZSTDVFXFVFXKPJ-UHFFFAOYSA-N 1 0 519.447 4.348 50 0 KIAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCN(c2cc(Cl)ccc2C)CC1 ZINC000009461197 553267348 /nfs/dbraw/zinc/26/73/48/553267348.db2.gz WZYJXGWGYOIZAM-UHFFFAOYSA-N 1 0 529.037 4.474 50 0 KIAARO COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCC(C)CC2)c(OC)c1 ZINC000009472813 553270430 /nfs/dbraw/zinc/27/04/30/553270430.db2.gz KKKSATLTBXGYMF-UHFFFAOYSA-N 1 0 510.660 4.267 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)COCc2cc(-c3ccc(F)cc3)on2)CC1 ZINC000009477647 553272520 /nfs/dbraw/zinc/27/25/20/553272520.db2.gz NREXZCGXQOUJOU-UHFFFAOYSA-N 1 0 501.002 4.288 50 0 KIAARO Cn1c(CC[NH+]2CCN(c3ccccn3)CC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000009487887 553273092 /nfs/dbraw/zinc/27/30/92/553273092.db2.gz RIPDRDXHBVDPEQ-UHFFFAOYSA-N 1 0 505.022 4.004 50 0 KIAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3ccccc3C(=O)N1CC2 ZINC000009559263 553279560 /nfs/dbraw/zinc/27/95/60/553279560.db2.gz FONQTRWNWXXEEY-LOYHVIPDSA-N 1 0 525.649 4.105 50 0 KIAARO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3ccccc3C(=O)N1CC2 ZINC000009559264 553279512 /nfs/dbraw/zinc/27/95/12/553279512.db2.gz FONQTRWNWXXEEY-IHLOFXLRSA-N 1 0 525.649 4.105 50 0 KIAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3ccccc3C(=O)N1CC2 ZINC000009559265 553279544 /nfs/dbraw/zinc/27/95/44/553279544.db2.gz FONQTRWNWXXEEY-XZWHSSHBSA-N 1 0 525.649 4.105 50 0 KIAARO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3ccccc3C(=O)N1CC2 ZINC000009559266 553279531 /nfs/dbraw/zinc/27/95/31/553279531.db2.gz FONQTRWNWXXEEY-KYJUHHDHSA-N 1 0 525.649 4.105 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCCCCC2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561046 553281058 /nfs/dbraw/zinc/28/10/58/553281058.db2.gz NGAXQMFMECWWMZ-FQLXRVMXSA-N 1 0 516.686 4.488 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCCCCC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561047 553280998 /nfs/dbraw/zinc/28/09/98/553280998.db2.gz NGAXQMFMECWWMZ-WDYNHAJCSA-N 1 0 516.686 4.488 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCCCCC2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561048 553281001 /nfs/dbraw/zinc/28/10/01/553281001.db2.gz NGAXQMFMECWWMZ-URLMMPGGSA-N 1 0 516.686 4.488 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCCCCC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561049 553281037 /nfs/dbraw/zinc/28/10/37/553281037.db2.gz NGAXQMFMECWWMZ-VMPREFPWSA-N 1 0 516.686 4.488 50 0 KIAARO O=C(c1ccccc1)c1ccc2nc(NCCC[NH+]3CCN(c4ccccc4F)CC3)c3nncn3c2c1 ZINC000009561204 553281022 /nfs/dbraw/zinc/28/10/22/553281022.db2.gz WLKGTUWCNIZJSO-UHFFFAOYSA-N 1 0 509.589 4.272 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2nnc(Cc3ccc(F)cc3Cl)o2)CC1 ZINC000009561237 553281306 /nfs/dbraw/zinc/28/13/06/553281306.db2.gz XDSNIIDTFNNUFW-UHFFFAOYSA-N 1 0 506.409 4.357 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2nnc(Cc3c(F)cccc3Cl)o2)CC1 ZINC000009561243 553281327 /nfs/dbraw/zinc/28/13/27/553281327.db2.gz WYNQYVDACCZSKW-UHFFFAOYSA-N 1 0 506.409 4.357 50 0 KIAARO O=C(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000009590213 553282782 /nfs/dbraw/zinc/28/27/82/553282782.db2.gz MVYWKDWMJFRCDN-UHFFFAOYSA-N 1 0 516.623 4.416 50 0 KIAARO CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCC[NH+]4CCC(C)CC4)n3)c(=O)oc21 ZINC000009590288 553282943 /nfs/dbraw/zinc/28/29/43/553282943.db2.gz XTOPLOHUJLXIMT-UHFFFAOYSA-N 1 0 526.659 4.272 50 0 KIAARO CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCC[N@@H+]4CCCC[C@@H]4C)n3)c(=O)oc21 ZINC000009590310 553282987 /nfs/dbraw/zinc/28/29/87/553282987.db2.gz PSYBZZMVOOQGIC-KRWDZBQOSA-N 1 0 512.632 4.025 50 0 KIAARO CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCC[N@@H+]4CCCC[C@H]4C)n3)c(=O)oc21 ZINC000009590312 553282945 /nfs/dbraw/zinc/28/29/45/553282945.db2.gz PSYBZZMVOOQGIC-QGZVFWFLSA-N 1 0 512.632 4.025 50 0 KIAARO O=C(NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000009608959 553287786 /nfs/dbraw/zinc/28/77/86/553287786.db2.gz TZXIVHYDGNVPPS-HHHXNRCGSA-N 1 0 503.046 4.366 50 0 KIAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)NC[C@@H]4CC[N@@H+](C5CCCC5)C4)c(C)n3n2)c(OC)c1 ZINC000009610064 553288171 /nfs/dbraw/zinc/28/81/71/553288171.db2.gz LSAIEQKMOVMOQM-NRFANRHFSA-N 1 0 505.663 4.344 50 0 KIAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)NC[C@H]4CC[N@@H+](C5CCCC5)C4)c(C)n3n2)c(OC)c1 ZINC000009610066 553288155 /nfs/dbraw/zinc/28/81/55/553288155.db2.gz LSAIEQKMOVMOQM-OAQYLSRUSA-N 1 0 505.663 4.344 50 0 KIAARO COc1ccccc1N1CC[NH+](CCCNC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(C)cc2)CC1 ZINC000009610438 553288461 /nfs/dbraw/zinc/28/84/61/553288461.db2.gz VVWJGRDUFPCWLP-UHFFFAOYSA-N 1 0 512.658 4.296 50 0 KIAARO Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c12 ZINC000009610441 553288476 /nfs/dbraw/zinc/28/84/76/553288476.db2.gz HEKGDONLNKKJIB-UHFFFAOYSA-N 1 0 500.622 4.427 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000009676495 553295090 /nfs/dbraw/zinc/29/50/90/553295090.db2.gz UXJUIVILUHYBDS-KPGYKUMBSA-N 1 0 505.659 4.311 50 0 KIAARO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 ZINC000009677830 553295364 /nfs/dbraw/zinc/29/53/64/553295364.db2.gz KMSDYFHRWIBGKZ-UHFFFAOYSA-N 1 0 500.668 4.473 50 0 KIAARO COc1ccc(N2Cc3cccc(C(=O)NCCC[NH+]4CCN(c5cccc(Cl)c5)CC4)c3C2=O)cc1 ZINC000009681672 553296931 /nfs/dbraw/zinc/29/69/31/553296931.db2.gz LZCMQNJEGPIVHX-UHFFFAOYSA-N 1 0 519.045 4.451 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C ZINC000009681804 553296980 /nfs/dbraw/zinc/29/69/80/553296980.db2.gz HEGXUQKFPDKVHE-HXUWFJFHSA-N 1 0 501.631 4.270 50 0 KIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c1c1ccccc1n2C ZINC000009681805 553296951 /nfs/dbraw/zinc/29/69/51/553296951.db2.gz HEGXUQKFPDKVHE-FQEVSTJZSA-N 1 0 501.631 4.270 50 0 KIAARO COc1ccc(-n2nc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681896 553297146 /nfs/dbraw/zinc/29/71/46/553297146.db2.gz HIVZPNZJBIPQDY-UHFFFAOYSA-N 1 0 521.621 4.280 50 0 KIAARO COc1ccc(-n2nc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009681916 553297207 /nfs/dbraw/zinc/29/72/07/553297207.db2.gz XIZWSIKROPHBSQ-UHFFFAOYSA-N 1 0 521.621 4.064 50 0 KIAARO Cc1ccc(-n2nc(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682152 553297173 /nfs/dbraw/zinc/29/71/73/553297173.db2.gz XHZVDMSGIWXLOS-UHFFFAOYSA-N 1 0 505.622 4.364 50 0 KIAARO Cc1ccc(-n2nc(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000009682167 553297214 /nfs/dbraw/zinc/29/72/14/553297214.db2.gz JLHNBUUFZYYASM-UHFFFAOYSA-N 1 0 506.610 4.190 50 0 KIAARO COc1cccc(-c2nn(C)c3sc(C(=O)NCCC[NH+]4CCN(c5ccc(F)cc5)CC4)cc23)c1 ZINC000009682245 553297435 /nfs/dbraw/zinc/29/74/35/553297435.db2.gz RMKIIGVLIAQLRC-UHFFFAOYSA-N 1 0 507.635 4.392 50 0 KIAARO CCCC[N@H+](CC)CCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C ZINC000009693665 553298713 /nfs/dbraw/zinc/29/87/13/553298713.db2.gz XOOLUIUNCAPBCU-UHFFFAOYSA-N 1 0 510.038 4.391 50 0 KIAARO Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000009693900 553299083 /nfs/dbraw/zinc/29/90/83/553299083.db2.gz HOUKYVKOKSYEKV-UHFFFAOYSA-N 1 0 516.063 4.157 50 0 KIAARO CCCC[NH+](CCCC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O ZINC000009725124 553301541 /nfs/dbraw/zinc/30/15/41/553301541.db2.gz FNUJHWQAKMRWLX-UHFFFAOYSA-N 1 0 532.751 4.124 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000009776850 553306361 /nfs/dbraw/zinc/30/63/61/553306361.db2.gz KQBUHISUWLQFKY-VSGBNLITSA-N 1 0 532.616 4.144 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000009776851 553306279 /nfs/dbraw/zinc/30/62/79/553306279.db2.gz KQBUHISUWLQFKY-WUFINQPMSA-N 1 0 532.616 4.144 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000009776852 553306356 /nfs/dbraw/zinc/30/63/56/553306356.db2.gz KQBUHISUWLQFKY-IZLXSDGUSA-N 1 0 532.616 4.144 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccc1N1CC[NH+](C)CC1)[C@H](c1ccccc1F)N(C)C2=O ZINC000009776853 553306261 /nfs/dbraw/zinc/30/62/61/553306261.db2.gz KQBUHISUWLQFKY-NSOVKSMOSA-N 1 0 532.616 4.144 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[N@@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000009776991 553306522 /nfs/dbraw/zinc/30/65/22/553306522.db2.gz CDABTYXDDFLVMK-LOYHVIPDSA-N 1 0 525.649 4.105 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[N@@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009776993 553306466 /nfs/dbraw/zinc/30/64/66/553306466.db2.gz CDABTYXDDFLVMK-IHLOFXLRSA-N 1 0 525.649 4.105 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000009777010 553306488 /nfs/dbraw/zinc/30/64/88/553306488.db2.gz QBHMGGTWLZWVTM-XZWHSSHBSA-N 1 0 525.649 4.321 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000009777011 553306513 /nfs/dbraw/zinc/30/65/13/553306513.db2.gz QBHMGGTWLZWVTM-KYJUHHDHSA-N 1 0 525.649 4.321 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009841684 553311175 /nfs/dbraw/zinc/31/11/75/553311175.db2.gz SZUFEYAPIOXRIQ-YIXXDRMTSA-N 1 0 527.662 4.053 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@@H]1c1ccc(OC)cc1 ZINC000009841688 553311161 /nfs/dbraw/zinc/31/11/61/553311161.db2.gz SZUFEYAPIOXRIQ-WNCULLNHSA-N 1 0 527.662 4.053 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)cc1 ZINC000009841690 553311172 /nfs/dbraw/zinc/31/11/72/553311172.db2.gz SZUFEYAPIOXRIQ-KCWPFWIISA-N 1 0 527.662 4.053 50 0 KIAARO CC[NH+](CC)CCCNC(=O)[C@H]1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(OC)cc1 ZINC000009841692 553311204 /nfs/dbraw/zinc/31/12/04/553311204.db2.gz SZUFEYAPIOXRIQ-HOFKKMOUSA-N 1 0 527.662 4.053 50 0 KIAARO CCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000009971594 553322748 /nfs/dbraw/zinc/32/27/48/553322748.db2.gz POFWRGUSCFWWQW-UHFFFAOYSA-N 1 0 509.459 4.439 50 0 KIAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)s2)cc1 ZINC000009972083 553323127 /nfs/dbraw/zinc/32/31/27/553323127.db2.gz SODZDFUNIPFZHL-UHFFFAOYSA-N 1 0 537.734 4.158 50 0 KIAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCC[NH+](CC)CC)CC3)s2)cc1 ZINC000009972088 553323112 /nfs/dbraw/zinc/32/31/12/553323112.db2.gz IQTUXCONCVZGNU-UHFFFAOYSA-N 1 0 525.723 4.014 50 0 KIAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2cc(Br)ccc2OC)CC1 ZINC000010059896 553327502 /nfs/dbraw/zinc/32/75/02/553327502.db2.gz BWBLBUJQNMXBIW-UXBLZVDNSA-N 1 0 502.409 4.038 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000010066503 553327838 /nfs/dbraw/zinc/32/78/38/553327838.db2.gz VBZYKPLFCLHMQH-UHFFFAOYSA-N 1 0 504.653 4.209 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2c(cccc2F)s1 ZINC000010066763 553327833 /nfs/dbraw/zinc/32/78/33/553327833.db2.gz WTRUGIQTBOAMST-UHFFFAOYSA-N 1 0 504.653 4.209 50 0 KIAARO CCc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 ZINC000010067785 553327897 /nfs/dbraw/zinc/32/78/97/553327897.db2.gz FIYIAZRJZHHLFP-UHFFFAOYSA-N 1 0 500.690 4.242 50 0 KIAARO COc1ccc(C2=NN(C(=O)C[NH2+]CCO)[C@H](c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1 ZINC000010435194 553336451 /nfs/dbraw/zinc/33/64/51/553336451.db2.gz ASOPQKHYJXNVPZ-NDEPHWFRSA-N 1 0 509.610 4.116 50 0 KIAARO COc1ccc(C2=NN(C(=O)C[NH2+]CCO)[C@@H](c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1 ZINC000010435196 553336400 /nfs/dbraw/zinc/33/64/00/553336400.db2.gz ASOPQKHYJXNVPZ-MUUNZHRXSA-N 1 0 509.610 4.116 50 0 KIAARO Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2c1 ZINC000010460949 553337294 /nfs/dbraw/zinc/33/72/94/553337294.db2.gz KCAPXOBKRIHPHF-UHFFFAOYSA-N 1 0 500.690 4.378 50 0 KIAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccc(F)cc2s1 ZINC000010461196 553337247 /nfs/dbraw/zinc/33/72/47/553337247.db2.gz CJIMHGCGKHNUGO-UHFFFAOYSA-N 1 0 504.653 4.209 50 0 KIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc(Br)cc(OC)c3oc2=O)cc1 ZINC000011565636 553339007 /nfs/dbraw/zinc/33/90/07/553339007.db2.gz ILDOAFHEGSEOOR-UHFFFAOYSA-N 1 0 517.376 4.315 50 0 KIAARO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)N(CC[NH+](C)C)Cc4ccccc4)CC3)c2C1=O ZINC000011791471 553343536 /nfs/dbraw/zinc/34/35/36/553343536.db2.gz ZSHQPMIJNMKSCI-NRFANRHFSA-N 1 0 545.709 4.307 50 0 KIAARO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)N(CC[NH+](C)C)Cc4ccccc4)CC3)c2C1=O ZINC000011791472 553343543 /nfs/dbraw/zinc/34/35/43/553343543.db2.gz ZSHQPMIJNMKSCI-OAQYLSRUSA-N 1 0 545.709 4.307 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)N2CCCCCC2)c(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000011815105 553343478 /nfs/dbraw/zinc/34/34/78/553343478.db2.gz XWMNEUNOYBEROY-HSZRJFAPSA-N 1 0 506.691 4.447 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)N2CCCCCC2)c(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000011815106 553343407 /nfs/dbraw/zinc/34/34/07/553343407.db2.gz XWMNEUNOYBEROY-QHCPKHFHSA-N 1 0 506.691 4.447 50 0 KIAARO COCc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)o1 ZINC000011840922 553343421 /nfs/dbraw/zinc/34/34/21/553343421.db2.gz VAYZXLGNLHJNML-UHFFFAOYSA-N 1 0 528.653 4.443 50 0 KIAARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000011870962 553348270 /nfs/dbraw/zinc/34/82/70/553348270.db2.gz VSKZSJIDKMTVAK-YADHBBJMSA-N 1 0 507.626 4.012 50 0 KIAARO COC(=O)CC[C@H]1C[N@H+](Cc2cc(C)c(OC)cc2C)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000011912921 553349145 /nfs/dbraw/zinc/34/91/45/553349145.db2.gz JPTPUPYUKWCHSN-AZGAKELHSA-N 1 0 509.691 4.287 50 0 KIAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)N1CCOCC1 ZINC000011913657 553349136 /nfs/dbraw/zinc/34/91/36/553349136.db2.gz UEJQIAREZQNQFT-RPLLCQBOSA-N 1 0 529.100 4.131 50 0 KIAARO C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccccc2C(F)(F)F)CC1 ZINC000012027170 553350144 /nfs/dbraw/zinc/35/01/44/553350144.db2.gz YNSNHPNPIYKATP-XXBNENTESA-N 1 0 517.621 4.481 50 0 KIAARO COCCNC(=O)CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1 ZINC000012037728 553350408 /nfs/dbraw/zinc/35/04/08/553350408.db2.gz UVDCZKPKRHWVTM-JYFHCDHNSA-N 1 0 517.089 4.035 50 0 KIAARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(Cc3ccccc3C(F)(F)F)C2)n1 ZINC000012048638 553350688 /nfs/dbraw/zinc/35/06/88/553350688.db2.gz OSHSMXVZSQHMAX-IRLDBZIGSA-N 1 0 507.626 4.012 50 0 KIAARO O=C([C@@H]1C[C@@H](Sc2ncccn2)CN1Cc1ccccc1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000012078514 553351094 /nfs/dbraw/zinc/35/10/94/553351094.db2.gz FYIWOHPSJYTTGH-XHKVLVSRSA-N 1 0 517.743 4.181 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2c(cccc2C)s1 ZINC000012140853 553352253 /nfs/dbraw/zinc/35/22/53/553352253.db2.gz KJANLNOVAKXEDI-UHFFFAOYSA-N 1 0 500.690 4.378 50 0 KIAARO C[NH+](C)CCCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2ccc(Br)cc2s1 ZINC000012140959 553352334 /nfs/dbraw/zinc/35/23/34/553352334.db2.gz WIBPVNISEWTEMG-UHFFFAOYSA-N 1 0 510.479 4.208 50 0 KIAARO COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](C3CCN(C(C)=O)CC3)C4)nc12 ZINC000012165220 553353222 /nfs/dbraw/zinc/35/32/22/553353222.db2.gz WHENSTVRVDGFBP-UHFFFAOYSA-N 1 0 505.615 4.441 50 0 KIAARO CC(C)[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)Cc2ccon2)C1 ZINC000012212987 553354256 /nfs/dbraw/zinc/35/42/56/553354256.db2.gz OGBVKQQOZZTPDW-SQJMNOBHSA-N 1 0 521.628 4.353 50 0 KIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)N2CCCCCC2)CC1 ZINC000012242702 553354605 /nfs/dbraw/zinc/35/46/05/553354605.db2.gz BPIDUYHPNVUISD-WUFINQPMSA-N 1 0 519.734 4.286 50 0 KIAARO COc1ccc(OC)c2nc(-c3ccc(C)cc3)c(CN(CC[NH+](C)C)C(=O)c3cc(C)nn3C)cc12 ZINC000012242980 553354780 /nfs/dbraw/zinc/35/47/80/553354780.db2.gz RMLJEMGNXDJMIT-UHFFFAOYSA-N 1 0 501.631 4.473 50 0 KIAARO CCN(CC[NH+](C)C)C(=O)C1CCN(c2cccc3c2C(=O)N(Cc2cccc4ccccc42)C3=O)CC1 ZINC000012243041 553354753 /nfs/dbraw/zinc/35/47/53/553354753.db2.gz NNJHOXZUFFETEL-UHFFFAOYSA-N 1 0 512.654 4.263 50 0 KIAARO COc1cc(OC)c2nc(-c3cc4c(c(OC)c3)OCC[N@@H+](C3CCN(C(C)=O)CC3)C4)cc(C)c2c1 ZINC000012245743 553355073 /nfs/dbraw/zinc/35/50/73/553355073.db2.gz VWMDWBBWDLGNQY-UHFFFAOYSA-N 1 0 505.615 4.441 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(N(C)C[C@@H]2COCCO2)n1 ZINC000012278624 553356189 /nfs/dbraw/zinc/35/61/89/553356189.db2.gz AJJGTUONBPTWAA-RUZDIDTESA-N 1 0 530.669 4.003 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(N(C)C[C@H]2COCCO2)n1 ZINC000012278626 553356094 /nfs/dbraw/zinc/35/60/94/553356094.db2.gz AJJGTUONBPTWAA-VWLOTQADSA-N 1 0 530.669 4.003 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 ZINC000012312029 553357920 /nfs/dbraw/zinc/35/79/20/553357920.db2.gz UNMDHILIMVHBQR-UHFFFAOYSA-N 1 0 535.110 4.229 50 0 KIAARO COc1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000012420216 553365865 /nfs/dbraw/zinc/36/58/65/553365865.db2.gz DORJUEGPWCHNSO-AIAVXMCLSA-N 1 0 520.427 4.232 50 0 KIAARO COc1ccc(/C=C(\NC(=O)c2cccc(Br)c2)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000012420218 553365802 /nfs/dbraw/zinc/36/58/02/553365802.db2.gz DORJUEGPWCHNSO-JCHYSQADSA-N 1 0 520.427 4.232 50 0 KIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCCCCC5)cc4)cc3s2)CC1 ZINC000012489144 553379714 /nfs/dbraw/zinc/37/97/14/553379714.db2.gz AQBCLJMKENCMSK-UHFFFAOYSA-N 1 0 528.700 4.222 50 0 KIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCC(C)CC5)cc4)cc3s2)CC1 ZINC000012489843 553380213 /nfs/dbraw/zinc/38/02/13/553380213.db2.gz CDRBKMDIJCPZPO-UHFFFAOYSA-N 1 0 528.700 4.078 50 0 KIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCC[C@@H](C)C5)cc4)cc3s2)CC1 ZINC000012489991 553380185 /nfs/dbraw/zinc/38/01/85/553380185.db2.gz XWPAVBHVZJUOJS-LJQANCHMSA-N 1 0 528.700 4.078 50 0 KIAARO CC[NH+]1CCN(c2nc3ccc(OC(=O)c4ccc(S(=O)(=O)N5CCC[C@H](C)C5)cc4)cc3s2)CC1 ZINC000012490000 553380218 /nfs/dbraw/zinc/38/02/18/553380218.db2.gz XWPAVBHVZJUOJS-IBGZPJMESA-N 1 0 528.700 4.078 50 0 KIAARO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccc3nc(N4CC[NH+](CC)CC4)sc3c2)cc1 ZINC000012490090 553380307 /nfs/dbraw/zinc/38/03/07/553380307.db2.gz HBXZDVDMRVOEBD-UHFFFAOYSA-N 1 0 516.689 4.078 50 0 KIAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)c2)cc1 ZINC000012526165 553384238 /nfs/dbraw/zinc/38/42/38/553384238.db2.gz ALVFMOLHWZKVSE-RUZDIDTESA-N 1 0 509.628 4.072 50 0 KIAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCC3)c2)cc1 ZINC000012526166 553384266 /nfs/dbraw/zinc/38/42/66/553384266.db2.gz ALVFMOLHWZKVSE-VWLOTQADSA-N 1 0 509.628 4.072 50 0 KIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526205 553384260 /nfs/dbraw/zinc/38/42/60/553384260.db2.gz GPCQCHIOFICVCZ-OAQYLSRUSA-N 1 0 518.433 4.410 50 0 KIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000012526206 553384255 /nfs/dbraw/zinc/38/42/55/553384255.db2.gz GPCQCHIOFICVCZ-NRFANRHFSA-N 1 0 518.433 4.410 50 0 KIAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)c2)cc1 ZINC000012526211 553384149 /nfs/dbraw/zinc/38/41/49/553384149.db2.gz DKNHXDQKHWQUII-AREMUKBSSA-N 1 0 509.628 4.072 50 0 KIAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)c2)cc1 ZINC000012526212 553384203 /nfs/dbraw/zinc/38/42/03/553384203.db2.gz DKNHXDQKHWQUII-SANMLTNESA-N 1 0 509.628 4.072 50 0 KIAARO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2)cc1 ZINC000012526226 553384127 /nfs/dbraw/zinc/38/41/27/553384127.db2.gz RPKKVOPUWHSAFZ-HHHXNRCGSA-N 1 0 523.655 4.462 50 0 KIAARO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2)cc1 ZINC000012526227 553384053 /nfs/dbraw/zinc/38/40/53/553384053.db2.gz RPKKVOPUWHSAFZ-MHZLTWQESA-N 1 0 523.655 4.462 50 0 KIAARO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@H](c3ccccc3OC)[NH+]3CCCC3)cc2)cc1 ZINC000012526392 553384042 /nfs/dbraw/zinc/38/40/42/553384042.db2.gz WLIMDFKZIHFJOQ-AREMUKBSSA-N 1 0 523.655 4.462 50 0 KIAARO CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3OC)[NH+]3CCCC3)cc2)cc1 ZINC000012526393 553384178 /nfs/dbraw/zinc/38/41/78/553384178.db2.gz WLIMDFKZIHFJOQ-SANMLTNESA-N 1 0 523.655 4.462 50 0 KIAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000012537847 553388036 /nfs/dbraw/zinc/38/80/36/553388036.db2.gz SIDBMIANZQHEOZ-UHFFFAOYSA-N 1 0 524.609 4.274 50 0 KIAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000012544801 553391235 /nfs/dbraw/zinc/39/12/35/553391235.db2.gz BDLWOGFBCAQGHD-OAQYLSRUSA-N 1 0 518.433 4.410 50 0 KIAARO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000012544802 553391214 /nfs/dbraw/zinc/39/12/14/553391214.db2.gz BDLWOGFBCAQGHD-NRFANRHFSA-N 1 0 518.433 4.410 50 0 KIAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000012549356 553392661 /nfs/dbraw/zinc/39/26/61/553392661.db2.gz YARKNXKPYKZCAQ-UHFFFAOYSA-N 1 0 524.609 4.274 50 0 KIAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012580242 553399091 /nfs/dbraw/zinc/39/90/91/553399091.db2.gz YWHSLRWNUYHBSQ-LADGPHEKSA-N 1 0 511.669 4.095 50 0 KIAARO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000012580250 553398996 /nfs/dbraw/zinc/39/89/96/553398996.db2.gz YWHSLRWNUYHBSQ-UPVQGACJSA-N 1 0 511.669 4.095 50 0 KIAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)CC1 ZINC000012632809 553405928 /nfs/dbraw/zinc/40/59/28/553405928.db2.gz NDSHYMBAUISTEK-UHFFFAOYSA-N 1 0 511.047 4.096 50 0 KIAARO COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cc1 ZINC000012632834 553405912 /nfs/dbraw/zinc/40/59/12/553405912.db2.gz JGJAWZPRDQSDSD-UHFFFAOYSA-N 1 0 529.062 4.178 50 0 KIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000012643234 553408525 /nfs/dbraw/zinc/40/85/25/553408525.db2.gz OQIWGVCKNPXJDC-UHFFFAOYSA-N 1 0 510.059 4.486 50 0 KIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)N2CCCCCC2)CC1 ZINC000012726556 553420359 /nfs/dbraw/zinc/42/03/59/553420359.db2.gz RMMQUVFTKDWNDH-XTEPFMGCSA-N 1 0 519.734 4.286 50 0 KIAARO COc1ccccc1COC[C@H](O)C[NH+](C[C@@H](O)COCc1ccccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000012801178 553421008 /nfs/dbraw/zinc/42/10/08/553421008.db2.gz SYNLXTIXDBLOMI-IPIYWATJSA-N 1 0 539.713 4.430 50 0 KIAARO COc1ccccc1COC[C@@H](O)C[NH+](C[C@H](O)COCc1ccccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000012801188 553420945 /nfs/dbraw/zinc/42/09/45/553420945.db2.gz SYNLXTIXDBLOMI-RMVDRDQESA-N 1 0 539.713 4.430 50 0 KIAARO COc1ccccc1COC[C@H](O)C[N@H+](C[C@H](O)COCc1ccccc1OC)C12CC3CC(CC(C3)C1)C2 ZINC000012801199 553420990 /nfs/dbraw/zinc/42/09/90/553420990.db2.gz SYNLXTIXDBLOMI-WPUNFHQUSA-N 1 0 539.713 4.430 50 0 KIAARO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012872629 553424209 /nfs/dbraw/zinc/42/42/09/553424209.db2.gz UYVXXMRBDXIAQJ-WOJBJXKFSA-N 1 0 508.482 4.237 50 0 KIAARO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000012872639 553424187 /nfs/dbraw/zinc/42/41/87/553424187.db2.gz UYVXXMRBDXIAQJ-VQTJNVASSA-N 1 0 508.482 4.237 50 0 KIAARO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012872648 553424192 /nfs/dbraw/zinc/42/41/92/553424192.db2.gz UYVXXMRBDXIAQJ-UXHICEINSA-N 1 0 508.482 4.237 50 0 KIAARO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000012872658 553424213 /nfs/dbraw/zinc/42/42/13/553424213.db2.gz UYVXXMRBDXIAQJ-PMACEKPBSA-N 1 0 508.482 4.237 50 0 KIAARO CC(C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000012876003 553424742 /nfs/dbraw/zinc/42/47/42/553424742.db2.gz MREAXUVKIBLUJE-HVNZXBJASA-N 1 0 527.669 4.009 50 0 biogenic KIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c43)CC2)cc1 ZINC000012906082 553426929 /nfs/dbraw/zinc/42/69/29/553426929.db2.gz HPGRGUQSCHFRKF-UHFFFAOYSA-N 1 0 508.692 4.235 50 0 KIAARO CC(C)Cn1c(N)c([C@H](c2ccc(-c3ccccc3)s2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000013030091 553440563 /nfs/dbraw/zinc/44/05/63/553440563.db2.gz RXYWIMFEQIUSQE-SANMLTNESA-N 1 0 515.683 4.415 50 0 KIAARO CC(C)Cn1c(N)c([C@@H](c2ccc(-c3ccccc3)s2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000013030094 553440522 /nfs/dbraw/zinc/44/05/22/553440522.db2.gz RXYWIMFEQIUSQE-AREMUKBSSA-N 1 0 515.683 4.415 50 0 KIAARO O=C1c2cccn2C[C@H]1C(c1cc[n+](Cc2ccc(Br)cc2)cc1)[C@@H]1Cn2cccc2C1=O ZINC000013114532 553448743 /nfs/dbraw/zinc/44/87/43/553448743.db2.gz DVIHQVIDMOODEW-VXKWHMMOSA-N 1 0 501.404 4.497 50 0 KIAARO O=C1c2cccn2C[C@@H]1C(c1cc[n+](Cc2ccc(Br)cc2)cc1)[C@H]1Cn2cccc2C1=O ZINC000013114535 553448747 /nfs/dbraw/zinc/44/87/47/553448747.db2.gz DVIHQVIDMOODEW-FGZHOGPDSA-N 1 0 501.404 4.497 50 0 KIAARO C[NH+](C)C1(CNC(=O)COc2c(I)cc(Cl)c3cccnc32)CCCCC1 ZINC000013129343 553450622 /nfs/dbraw/zinc/45/06/22/553450622.db2.gz CQYUUJFPBIVJRG-UHFFFAOYSA-N 1 0 501.796 4.252 50 0 KIAARO COc1ccccc1[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)[NH+]1CCCC1 ZINC000013134458 553452135 /nfs/dbraw/zinc/45/21/35/553452135.db2.gz YJNJBPVVJGYQHI-AREMUKBSSA-N 1 0 521.639 4.266 50 0 KIAARO COc1ccccc1[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1)[NH+]1CCCC1 ZINC000013134459 553452093 /nfs/dbraw/zinc/45/20/93/553452093.db2.gz YJNJBPVVJGYQHI-SANMLTNESA-N 1 0 521.639 4.266 50 0 KIAARO CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1([NH+]3CCCCC3)CCCCC1)n2CC ZINC000013146527 553455287 /nfs/dbraw/zinc/45/52/87/553455287.db2.gz DXLVUTCAVDFKFE-UHFFFAOYSA-N 1 0 531.767 4.324 50 0 KIAARO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)cc1 ZINC000013146534 553455293 /nfs/dbraw/zinc/45/52/93/553455293.db2.gz PSCBVJVBVIUXKC-UHFFFAOYSA-N 1 0 501.596 4.151 50 0 KIAARO COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c(Cl)cc1Cl ZINC000013149748 553456350 /nfs/dbraw/zinc/45/63/50/553456350.db2.gz BJMZRSDLEXITSB-UHFFFAOYSA-N 1 0 528.502 4.475 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000013607949 553477487 /nfs/dbraw/zinc/47/74/87/553477487.db2.gz LEMQFEFMIIMPQR-PYHHMDQSSA-N 1 0 519.985 4.229 50 0 KIAARO CCC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)[C@@H]2CCOC2)c(C(=O)OC)n3CCc2ccccc2)CC1 ZINC000014532012 553517574 /nfs/dbraw/zinc/51/75/74/553517574.db2.gz JLIDWLGZKPKKQY-JOCHJYFZSA-N 1 0 533.673 4.327 50 0 KIAARO CCC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)[C@H]2CCOC2)c(C(=O)OC)n3CCc2ccccc2)CC1 ZINC000014532013 553517662 /nfs/dbraw/zinc/51/76/62/553517662.db2.gz JLIDWLGZKPKKQY-QFIPXVFZSA-N 1 0 533.673 4.327 50 0 KIAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](CCc3ccccc3)C2)cc1OC ZINC000014532620 553517534 /nfs/dbraw/zinc/51/75/34/553517534.db2.gz AVVUNVCJQZJRNR-BJKOFHAPSA-N 1 0 519.617 4.279 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3ccc(F)cc3)C2)cc1OC ZINC000014532920 553517671 /nfs/dbraw/zinc/51/76/71/553517671.db2.gz JXDHTTNXVFCPMK-FCHUYYIVSA-N 1 0 523.580 4.375 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NC3CCCC3)C2)cc1OC ZINC000014533453 553517808 /nfs/dbraw/zinc/51/78/08/553517808.db2.gz IXUXHAPUXACTNK-BJKOFHAPSA-N 1 0 505.659 4.328 50 0 KIAARO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)N3CCCCC3)C2)cc1OC ZINC000014534140 553517864 /nfs/dbraw/zinc/51/78/64/553517864.db2.gz VTBUJQLCRIMTBD-RPBOFIJWSA-N 1 0 505.659 4.282 50 0 KIAARO COCCCN1C(=O)N(Cc2ccc(OC)cc2)C(=O)C12CC[NH+](Cc1nc3ccccc3s1)CC2 ZINC000014534745 553517797 /nfs/dbraw/zinc/51/77/97/553517797.db2.gz QATQLNOPCRXPTQ-UHFFFAOYSA-N 1 0 508.644 4.140 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014537592 553518064 /nfs/dbraw/zinc/51/80/64/553518064.db2.gz MTDXTMIWKIPXIA-IZZNHLLZSA-N 1 0 513.638 4.153 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cccs3)C2)cc1OC ZINC000014541692 553518790 /nfs/dbraw/zinc/51/87/90/553518790.db2.gz YBMOBLIJWXXSKM-VQTJNVASSA-N 1 0 511.619 4.298 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014542228 553518769 /nfs/dbraw/zinc/51/87/69/553518769.db2.gz LVKBPQCODVYBON-LOSJGSFVSA-N 1 0 501.602 4.413 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@@H+](CCc2ccccc2)C1 ZINC000014731193 553519393 /nfs/dbraw/zinc/51/93/93/553519393.db2.gz BMCANVOROVGGEV-WUFINQPMSA-N 1 0 511.666 4.490 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3ccc(C)nc3)C2)cc1OC ZINC000014733721 553519383 /nfs/dbraw/zinc/51/93/83/553519383.db2.gz RIXGDRIHWSVDFL-IZZNHLLZSA-N 1 0 503.643 4.283 50 0 KIAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014740472 553519341 /nfs/dbraw/zinc/51/93/41/553519341.db2.gz HZUUHULDVYKORN-BJKOFHAPSA-N 1 0 519.608 4.061 50 0 KIAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014740788 553519588 /nfs/dbraw/zinc/51/95/88/553519588.db2.gz SAQXEYWAVRPQPG-LBNVMWSVSA-N 1 0 519.661 4.335 50 0 KIAARO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014741030 553519636 /nfs/dbraw/zinc/51/96/36/553519636.db2.gz CQBOFPPOZISUOM-LOSJGSFVSA-N 1 0 533.635 4.104 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc(F)c2)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000014741498 553519628 /nfs/dbraw/zinc/51/96/28/553519628.db2.gz YQMGEIZCRVDBKQ-LOSJGSFVSA-N 1 0 501.602 4.413 50 0 KIAARO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014742429 553519610 /nfs/dbraw/zinc/51/96/10/553519610.db2.gz OBLIPKZIWBYBSM-IZZNHLLZSA-N 1 0 513.638 4.283 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCCc3ccccc3)C2)cc1OC ZINC000014742751 553519605 /nfs/dbraw/zinc/51/96/05/553519605.db2.gz GHJNATBWCJGDPB-BJKOFHAPSA-N 1 0 519.617 4.279 50 0 KIAARO CC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)[C@@H]2CCOC2)c(C(=O)OC)n3CCCc2ccccc2)CC1 ZINC000014744217 553519861 /nfs/dbraw/zinc/51/98/61/553519861.db2.gz ZZDUDKDOHXMPJE-JOCHJYFZSA-N 1 0 533.673 4.327 50 0 KIAARO CC[NH+]1CCC(Nc2cnc3c(c2)c(NC(=O)[C@H]2CCOC2)c(C(=O)OC)n3CCCc2ccccc2)CC1 ZINC000014744218 553519842 /nfs/dbraw/zinc/51/98/42/553519842.db2.gz ZZDUDKDOHXMPJE-QFIPXVFZSA-N 1 0 533.673 4.327 50 0 KIAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccccc3)C2)cc1OC ZINC000014745143 553520027 /nfs/dbraw/zinc/52/00/27/553520027.db2.gz WMMNKUDVUZFPRQ-XZOQPEGZSA-N 1 0 505.590 4.236 50 0 KIAARO O=C(NCCc1c[nH]cn1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014749634 553520313 /nfs/dbraw/zinc/52/03/13/553520313.db2.gz PJCRPTOHCSHFRO-FCHUYYIVSA-N 1 0 500.565 4.347 50 0 KIAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccc(O)cc3)C2)cc1 ZINC000014750830 553520517 /nfs/dbraw/zinc/52/05/17/553520517.db2.gz SAIXOONJVLMUEC-IZZNHLLZSA-N 1 0 513.638 4.283 50 0 KIAARO C[NH+](C)CCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3nc4ccccc4s3)CC2)C1=O ZINC000014753654 553520540 /nfs/dbraw/zinc/52/05/40/553520540.db2.gz OPCLFIJOOVYSBY-UHFFFAOYSA-N 1 0 505.688 4.090 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccccc2)C1 ZINC000014755229 553520553 /nfs/dbraw/zinc/52/05/53/553520553.db2.gz GTUDCJUMNQCHFV-IZZNHLLZSA-N 1 0 511.622 4.297 50 0 KIAARO C[C@@H]1CN(c2nc(-c3cccc(Cl)c3)ccc2C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)C[C@H](C)O1 ZINC000014879002 553520799 /nfs/dbraw/zinc/52/07/99/553520799.db2.gz XNWQRPUJGPCZET-BGYRXZFFSA-N 1 0 513.082 4.077 50 0 KIAARO C[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)CN3Cc3cccc(Cl)c3)CC2)CC1 ZINC000014881282 553520980 /nfs/dbraw/zinc/52/09/80/553520980.db2.gz TUFTUYUKIGTZQO-SXOMAYOGSA-N 1 0 531.141 4.453 50 0 KIAARO Cc1cc(C(=O)N2CCN(CCOc3ccc(C[NH+]4CCC(Cc5ccccc5)CC4)cc3)CC2)n(C)n1 ZINC000014962222 553522564 /nfs/dbraw/zinc/52/25/64/553522564.db2.gz YROCNPGENKKYMU-UHFFFAOYSA-N 1 0 515.702 4.020 50 0 KIAARO COc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)c(OC)c1 ZINC000014965409 553522751 /nfs/dbraw/zinc/52/27/51/553522751.db2.gz RIPCKNQNTRSWOR-SQJMNOBHSA-N 1 0 502.055 4.299 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC([N@@H+]3CCC[C@@H](CO)C3)CC2)n1 ZINC000014973686 553522967 /nfs/dbraw/zinc/52/29/67/553522967.db2.gz WCAGBXBJBDRYBJ-OAQYLSRUSA-N 1 0 535.714 4.125 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)NCc2csc(C)n2)c(N2CCC([N@@H+]3CCC[C@H](CO)C3)CC2)n1 ZINC000014973690 553522870 /nfs/dbraw/zinc/52/28/70/553522870.db2.gz WCAGBXBJBDRYBJ-NRFANRHFSA-N 1 0 535.714 4.125 50 0 KIAARO Cc1nonc1C(=O)N1CCN(CCOc2ccc(C[N@H+](C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000014978852 553523238 /nfs/dbraw/zinc/52/32/38/553523238.db2.gz ZFXYNXHSCHNJNY-UHFFFAOYSA-N 1 0 505.644 4.062 50 0 KIAARO Cc1cc(C(=O)N2CCN(CCOc3ccc(C[N@H+](C)Cc4cc5ccccc5s4)cc3)CC2)n(C)n1 ZINC000014983047 553523492 /nfs/dbraw/zinc/52/34/92/553523492.db2.gz HCBDSOBJJUMJPU-UHFFFAOYSA-N 1 0 517.699 4.412 50 0 KIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccn3)C[C@@H]2CCC(=O)N2CCC(C)CC2)CC1 ZINC000014983647 553523641 /nfs/dbraw/zinc/52/36/41/553523641.db2.gz RXWMKAPKEDKNTM-XTEPFMGCSA-N 1 0 519.734 4.142 50 0 KIAARO COc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(CCn3nc(C)cc3C)C4=O)CC2)c2ccccc12 ZINC000014987207 553523779 /nfs/dbraw/zinc/52/37/79/553523779.db2.gz QXGSTAAQWKOKGZ-UHFFFAOYSA-N 1 0 523.637 4.280 50 0 KIAARO COc1cc2nc(N(C)C)c(CN(CC[NH+](C)C)C(=O)CCc3ccc(C)cc3)cc2c(OC)c1OC ZINC000014990432 553523892 /nfs/dbraw/zinc/52/38/92/553523892.db2.gz UGCBQBLCCWVJCM-UHFFFAOYSA-N 1 0 508.663 4.158 50 0 KIAARO COc1ccc(OC)c(-c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)c(N3CC[NH+](C)CC3)n2)c1 ZINC000014991400 553524197 /nfs/dbraw/zinc/52/41/97/553524197.db2.gz MIZWNWKJJQLHHL-UHFFFAOYSA-N 1 0 514.548 4.466 50 0 KIAARO CSc1ccc(-c2ccc(C(=O)N(C)Cc3ccon3)c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)n2)cc1 ZINC000014992822 553524161 /nfs/dbraw/zinc/52/41/61/553524161.db2.gz JXSWESCRNZXKLT-OAQYLSRUSA-N 1 0 535.714 4.404 50 0 KIAARO CSc1ccc(-c2ccc(C(=O)N(C)Cc3ccon3)c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)n2)cc1 ZINC000014992824 553524120 /nfs/dbraw/zinc/52/41/20/553524120.db2.gz JXSWESCRNZXKLT-NRFANRHFSA-N 1 0 535.714 4.404 50 0 KIAARO Cc1cc(=O)c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000014996308 553524638 /nfs/dbraw/zinc/52/46/38/553524638.db2.gz FTXSRKLIRAQZQL-BLVCCSLHSA-N 1 0 517.670 4.032 50 0 KIAARO Cc1cc(=O)c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000014996310 553524572 /nfs/dbraw/zinc/52/45/72/553524572.db2.gz FTXSRKLIRAQZQL-UJXHXZGASA-N 1 0 517.670 4.032 50 0 KIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)N2CCC(C)CC2)CC1 ZINC000015003278 553525005 /nfs/dbraw/zinc/52/50/05/553525005.db2.gz RONSBIAMENGMPU-WUFINQPMSA-N 1 0 519.734 4.142 50 0 KIAARO O=C(c1cncs1)N1CCN(CCOc2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000015008526 553525427 /nfs/dbraw/zinc/52/54/27/553525427.db2.gz VBQRKGOKOSBVLS-UHFFFAOYSA-N 1 0 504.700 4.435 50 0 KIAARO Cc1nn(C)cc1CNC(=O)COc1ccc(-c2ccsc2)cc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000015068106 553527252 /nfs/dbraw/zinc/52/72/52/553527252.db2.gz BOXGLRFIAJSHGI-UHFFFAOYSA-N 1 0 515.683 4.474 50 0 KIAARO CC1(C)C[C@@H](NC(=O)c2ccc(C[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000015069342 553527419 /nfs/dbraw/zinc/52/74/19/553527419.db2.gz ODVKBTOPSJGISE-SANMLTNESA-N 1 0 529.681 4.210 50 0 KIAARO CC1(C)C[C@H](NC(=O)c2ccc(C[NH+]3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)[nH]c2=O)CCO1 ZINC000015069344 553527290 /nfs/dbraw/zinc/52/72/90/553527290.db2.gz ODVKBTOPSJGISE-AREMUKBSSA-N 1 0 529.681 4.210 50 0 KIAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015276269 553530250 /nfs/dbraw/zinc/53/02/50/553530250.db2.gz NZAMWYOVJPKKPX-XHQAOKIUSA-N 1 0 511.597 4.387 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015320462 553531916 /nfs/dbraw/zinc/53/19/16/553531916.db2.gz XRBHBAWULXUMMS-CFRBSIFHSA-N 1 0 515.610 4.099 50 0 KIAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000015320497 553531869 /nfs/dbraw/zinc/53/18/69/553531869.db2.gz ZRFGCOFGZGFLFM-XHQAOKIUSA-N 1 0 511.597 4.387 50 0 KIAARO O=C(Nc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1)c1nnc(COc2ccccc2)s1 ZINC000015864065 553538860 /nfs/dbraw/zinc/53/88/60/553538860.db2.gz CTIAIARRXGETBI-UHFFFAOYSA-N 1 0 505.644 4.460 50 0 KIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000015865027 553538927 /nfs/dbraw/zinc/53/89/27/553538927.db2.gz RDMNHEGOVRLDRZ-HBRDYDSTSA-N 1 0 528.719 4.080 50 0 KIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2c(C)cc(C)cc2C)CC1 ZINC000015865028 553538935 /nfs/dbraw/zinc/53/89/35/553538935.db2.gz RDMNHEGOVRLDRZ-GTCGAKFVSA-N 1 0 528.719 4.080 50 0 KIAARO Cc1nc2nc(SCC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)nn2c(C)c1Cc1ccccc1Cl ZINC000015942411 553543683 /nfs/dbraw/zinc/54/36/83/553543683.db2.gz SXJAQVZPKIGMRK-QGZVFWFLSA-N 1 0 501.100 4.316 50 0 KIAARO Cc1nc2nc(SCC(=O)NCCC[N@H+]3CCC[C@H](C)C3)nn2c(C)c1Cc1ccccc1Cl ZINC000015942413 553543666 /nfs/dbraw/zinc/54/36/66/553543666.db2.gz SXJAQVZPKIGMRK-KRWDZBQOSA-N 1 0 501.100 4.316 50 0 KIAARO Cc1nc2nc(SCC(=O)NCCC[NH+]3CCCCCC3)nn2c(C)c1Cc1ccccc1Cl ZINC000015942415 553543721 /nfs/dbraw/zinc/54/37/21/553543721.db2.gz VCIMBAZAUYHRRQ-UHFFFAOYSA-N 1 0 501.100 4.460 50 0 KIAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000015944124 553543833 /nfs/dbraw/zinc/54/38/33/553543833.db2.gz XQFXLTCVYMYNAL-UHFFFAOYSA-N 1 0 521.614 4.035 50 0 KIAARO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000015944133 553543820 /nfs/dbraw/zinc/54/38/20/553543820.db2.gz XEFHLTYUAFPMRD-UHFFFAOYSA-N 1 0 517.651 4.204 50 0 KIAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O ZINC000015944169 553543814 /nfs/dbraw/zinc/54/38/14/553543814.db2.gz GWLHYEOUQFIENO-BHVANESWSA-N 1 0 505.615 4.369 50 0 KIAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000015944171 553543768 /nfs/dbraw/zinc/54/37/68/553543768.db2.gz GWLHYEOUQFIENO-PSXMRANNSA-N 1 0 505.615 4.369 50 0 KIAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000015944173 553543799 /nfs/dbraw/zinc/54/37/99/553543799.db2.gz JMUMBPJCDJJHMB-BHVANESWSA-N 1 0 505.615 4.369 50 0 KIAARO O=C(NCCC[NH+]1CCCC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000015944175 553543782 /nfs/dbraw/zinc/54/37/82/553543782.db2.gz JMUMBPJCDJJHMB-PSXMRANNSA-N 1 0 505.615 4.369 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2ccccc2)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000015956690 553546286 /nfs/dbraw/zinc/54/62/86/553546286.db2.gz HXCKYPRXEGBRCE-MVPDCNEZSA-N 1 0 513.981 4.019 50 0 biogenic KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]12 ZINC000015956900 553546355 /nfs/dbraw/zinc/54/63/55/553546355.db2.gz GEUCIRDPVUBKDK-WPQKMFINSA-N 1 0 512.569 4.489 50 0 biogenic KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000015959335 553546650 /nfs/dbraw/zinc/54/66/50/553546650.db2.gz GPMILASLXAYRTN-YAGSXNBFSA-N 1 0 507.590 4.408 50 0 KIAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968006 553547211 /nfs/dbraw/zinc/54/72/11/553547211.db2.gz YSEWFROULTYVQI-YDXRHMNESA-N 1 0 525.008 4.027 50 0 biogenic KIAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968009 553547146 /nfs/dbraw/zinc/54/71/46/553547146.db2.gz YSEWFROULTYVQI-SODQHWRNSA-N 1 0 525.008 4.027 50 0 biogenic KIAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968011 553547124 /nfs/dbraw/zinc/54/71/24/553547124.db2.gz YSEWFROULTYVQI-ZASNTINBSA-N 1 0 525.008 4.027 50 0 biogenic KIAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]12 ZINC000015968013 553547134 /nfs/dbraw/zinc/54/71/34/553547134.db2.gz YSEWFROULTYVQI-ZRIOWSNCSA-N 1 0 525.008 4.027 50 0 biogenic KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000015968083 553547180 /nfs/dbraw/zinc/54/71/80/553547180.db2.gz TXAPGBAUFDPOSG-LQCJGMINSA-N 1 0 507.590 4.408 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968450 553547170 /nfs/dbraw/zinc/54/71/70/553547170.db2.gz AIYXPECHDHQTHQ-HNFJUSDZSA-N 1 0 510.981 4.297 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968452 553547207 /nfs/dbraw/zinc/54/72/07/553547207.db2.gz AIYXPECHDHQTHQ-MVPDCNEZSA-N 1 0 510.981 4.297 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968453 553547185 /nfs/dbraw/zinc/54/71/85/553547185.db2.gz AIYXPECHDHQTHQ-IDCDSMMUSA-N 1 0 510.981 4.297 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000015968455 553547189 /nfs/dbraw/zinc/54/71/89/553547189.db2.gz AIYXPECHDHQTHQ-CHCBTGSZSA-N 1 0 510.981 4.297 50 0 biogenic KIAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015971895 553547624 /nfs/dbraw/zinc/54/76/24/553547624.db2.gz TVVHSPVHRUUGGH-DHMIZTNRSA-N 1 0 514.944 4.128 50 0 KIAARO O=C1Nc2c(cccc2Cl)[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000015971897 553547558 /nfs/dbraw/zinc/54/75/58/553547558.db2.gz TVVHSPVHRUUGGH-KYALDGGBSA-N 1 0 514.944 4.128 50 0 KIAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)c1 ZINC000015972610 553547834 /nfs/dbraw/zinc/54/78/34/553547834.db2.gz WBBGCEBGWUJPMT-KBXCTZIRSA-N 1 0 501.583 4.033 50 0 KIAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](Cc3ccc(O)cc3)[NH2+][C@@]23C(=O)Nc2c3cc(C)cc2C)c1 ZINC000015972613 553547811 /nfs/dbraw/zinc/54/78/11/553547811.db2.gz WBBGCEBGWUJPMT-APNKWYJYSA-N 1 0 501.583 4.033 50 0 KIAARO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000015996917 553549500 /nfs/dbraw/zinc/54/95/00/553549500.db2.gz HWDPFJYBEWFTIK-CMCWBKRRSA-N 1 0 503.908 4.204 50 0 KIAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016000659 553549942 /nfs/dbraw/zinc/54/99/42/553549942.db2.gz MOVHWHGVJBESTF-NARGUJOISA-N 1 0 503.908 4.407 50 0 KIAARO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016010042 553550494 /nfs/dbraw/zinc/55/04/94/553550494.db2.gz BGHVDJNBCWPPKQ-NARGUJOISA-N 1 0 503.908 4.407 50 0 KIAARO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016012094 553550666 /nfs/dbraw/zinc/55/06/66/553550666.db2.gz LZOTYZLKOZHFHC-NARGUJOISA-N 1 0 503.908 4.352 50 0 KIAARO CSCC[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 ZINC000016012392 553550937 /nfs/dbraw/zinc/55/09/37/553550937.db2.gz SPKHMHKOCHPNBW-PBWVOLNLSA-N 1 0 509.937 4.037 50 0 KIAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021426 553551140 /nfs/dbraw/zinc/55/11/40/553551140.db2.gz YLJZCWJLRRAUJQ-NLJXWPIHSA-N 1 0 503.002 4.117 50 0 KIAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021428 553551136 /nfs/dbraw/zinc/55/11/36/553551136.db2.gz YLJZCWJLRRAUJQ-IMBSWCNGSA-N 1 0 503.002 4.117 50 0 KIAARO O=C1Nc2ccc(Cl)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021430 553551239 /nfs/dbraw/zinc/55/12/39/553551239.db2.gz YLJZCWJLRRAUJQ-QUIZSENMSA-N 1 0 503.002 4.117 50 0 KIAARO O=C1Nc2ccc(Cl)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000016021432 553551170 /nfs/dbraw/zinc/55/11/70/553551170.db2.gz YLJZCWJLRRAUJQ-DFIMXKNXSA-N 1 0 503.002 4.117 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021666 553551198 /nfs/dbraw/zinc/55/11/98/553551198.db2.gz VWAJLQMUPIMLBJ-HNFJUSDZSA-N 1 0 517.029 4.426 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021667 553551147 /nfs/dbraw/zinc/55/11/47/553551147.db2.gz VWAJLQMUPIMLBJ-MVPDCNEZSA-N 1 0 517.029 4.426 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021668 553551210 /nfs/dbraw/zinc/55/12/10/553551210.db2.gz VWAJLQMUPIMLBJ-IDCDSMMUSA-N 1 0 517.029 4.426 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 ZINC000016021669 553551186 /nfs/dbraw/zinc/55/11/86/553551186.db2.gz VWAJLQMUPIMLBJ-CHCBTGSZSA-N 1 0 517.029 4.426 50 0 KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21 ZINC000016033885 553551709 /nfs/dbraw/zinc/55/17/09/553551709.db2.gz HYHXJRLPTXAGKQ-QLBZUPSYSA-N 1 0 503.908 4.352 50 0 KIAARO CCN(CC)C(=O)c1sc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c(C(=O)OC)c1C ZINC000016345664 553560407 /nfs/dbraw/zinc/56/04/07/553560407.db2.gz HTPMENGSGXPYBL-UHFFFAOYSA-N 1 0 502.706 4.276 50 0 KIAARO COc1cc(C[NH2+]C2CCCCC2)cc(I)c1OCC(=O)NCCc1ccccc1 ZINC000016382385 553561510 /nfs/dbraw/zinc/56/15/10/553561510.db2.gz MTQNVVNQOPGWPF-UHFFFAOYSA-N 1 0 522.427 4.460 50 0 KIAARO CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)C(=O)C[C@@H]1c1ccccc1 ZINC000016603259 553568817 /nfs/dbraw/zinc/56/88/17/553568817.db2.gz NHVWDMGOYFBOIC-AREMUKBSSA-N 1 0 503.643 4.256 50 0 KIAARO CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)C(=O)C[C@H]1c1ccccc1 ZINC000016603261 553568778 /nfs/dbraw/zinc/56/87/78/553568778.db2.gz NHVWDMGOYFBOIC-SANMLTNESA-N 1 0 503.643 4.256 50 0 KIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 ZINC000016741211 553579616 /nfs/dbraw/zinc/57/96/16/553579616.db2.gz QBNYEUSOSUNFOC-OAQYLSRUSA-N 1 0 513.388 4.229 50 0 KIAARO COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)nc21 ZINC000016913594 553583924 /nfs/dbraw/zinc/58/39/24/553583924.db2.gz OCGLOMKMOJBWFL-UHFFFAOYSA-N 1 0 524.668 4.338 50 0 KIAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1nc2ccc(F)cc2s1 ZINC000016913612 553583932 /nfs/dbraw/zinc/58/39/32/553583932.db2.gz XIECNRVAJCQNGP-UHFFFAOYSA-N 1 0 524.643 4.395 50 0 KIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc21 ZINC000017026771 553586861 /nfs/dbraw/zinc/58/68/61/553586861.db2.gz ABYXOJVVUOXLAZ-GOSISDBHSA-N 1 0 530.716 4.242 50 0 KIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)nc21 ZINC000017026773 553586964 /nfs/dbraw/zinc/58/69/64/553586964.db2.gz ABYXOJVVUOXLAZ-SFHVURJKSA-N 1 0 530.716 4.242 50 0 KIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc21 ZINC000017026776 553586997 /nfs/dbraw/zinc/58/69/97/553586997.db2.gz BLOABNFHVQEUBO-IBGZPJMESA-N 1 0 530.716 4.385 50 0 KIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc21 ZINC000017026778 553586989 /nfs/dbraw/zinc/58/69/89/553586989.db2.gz BLOABNFHVQEUBO-LJQANCHMSA-N 1 0 530.716 4.385 50 0 KIAARO COc1ccc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc21 ZINC000017026780 553586956 /nfs/dbraw/zinc/58/69/56/553586956.db2.gz RUGOETIKCGAOTJ-UHFFFAOYSA-N 1 0 530.716 4.386 50 0 KIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)nc2c1 ZINC000017245238 553591488 /nfs/dbraw/zinc/59/14/88/553591488.db2.gz AVDWEGVUNVMSJU-SFHVURJKSA-N 1 0 516.689 4.076 50 0 KIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc2c1 ZINC000017245242 553591469 /nfs/dbraw/zinc/59/14/69/553591469.db2.gz AVDWEGVUNVMSJU-GOSISDBHSA-N 1 0 516.689 4.076 50 0 KIAARO CCOc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000017287589 553592145 /nfs/dbraw/zinc/59/21/45/553592145.db2.gz XBKLNMZTMNJYED-UHFFFAOYSA-N 1 0 530.716 4.468 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc(OC)ccc2s1 ZINC000017287603 553592024 /nfs/dbraw/zinc/59/20/24/553592024.db2.gz MHXOEVNUMZCFGQ-UHFFFAOYSA-N 1 0 530.716 4.468 50 0 KIAARO CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 ZINC000017287617 553592102 /nfs/dbraw/zinc/59/21/02/553592102.db2.gz UCXRWWXSWRRVLX-UHFFFAOYSA-N 1 0 530.716 4.468 50 0 KIAARO CCOc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1 ZINC000017315711 553593347 /nfs/dbraw/zinc/59/33/47/553593347.db2.gz FWXCWVCMXDKGBZ-UHFFFAOYSA-N 1 0 516.689 4.078 50 0 KIAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1 ZINC000017315713 553593386 /nfs/dbraw/zinc/59/33/86/553593386.db2.gz UXRCTLVHFIVYSL-UHFFFAOYSA-N 1 0 530.716 4.324 50 0 KIAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)sc2c1 ZINC000017315716 553593330 /nfs/dbraw/zinc/59/33/30/553593330.db2.gz HPYOJLWQWUDRJB-LJQANCHMSA-N 1 0 530.716 4.324 50 0 KIAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c1 ZINC000017315719 553593370 /nfs/dbraw/zinc/59/33/70/553593370.db2.gz HPYOJLWQWUDRJB-IBGZPJMESA-N 1 0 530.716 4.324 50 0 KIAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2c1 ZINC000017315722 553593390 /nfs/dbraw/zinc/59/33/90/553593390.db2.gz CSMWSNOHARWAOU-IBGZPJMESA-N 1 0 530.716 4.467 50 0 KIAARO CCOc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)sc2c1 ZINC000017315725 553593352 /nfs/dbraw/zinc/59/33/52/553593352.db2.gz CSMWSNOHARWAOU-LJQANCHMSA-N 1 0 530.716 4.467 50 0 KIAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)nc21 ZINC000017315799 553593374 /nfs/dbraw/zinc/59/33/74/553593374.db2.gz KSOZDWASBOWXHV-UHFFFAOYSA-N 1 0 516.689 4.078 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000017357026 553594283 /nfs/dbraw/zinc/59/42/83/553594283.db2.gz OWNJZWDJIPHVPB-RUZDIDTESA-N 1 0 564.752 4.153 50 0 KIAARO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2c1=O ZINC000017357029 553594274 /nfs/dbraw/zinc/59/42/74/553594274.db2.gz OWNJZWDJIPHVPB-VWLOTQADSA-N 1 0 564.752 4.153 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000017376279 553594889 /nfs/dbraw/zinc/59/48/89/553594889.db2.gz XNXYHTHSCWAMMH-UHFFFAOYSA-N 1 0 544.699 4.188 50 0 KIAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000017376286 553594913 /nfs/dbraw/zinc/59/49/13/553594913.db2.gz WFLNLEVCPDHUNQ-UHFFFAOYSA-N 1 0 552.678 4.101 50 0 KIAARO CCOc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)cc1OCC ZINC000017434247 553596184 /nfs/dbraw/zinc/59/61/84/553596184.db2.gz ZOMIOIOKARXWEM-UHFFFAOYSA-N 1 0 547.700 4.170 50 0 KIAARO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@H]43)cc2)cc1 ZINC000017527643 553597073 /nfs/dbraw/zinc/59/70/73/553597073.db2.gz GTPVVSLQHUGVDB-XRKRLSELSA-N 1 0 549.693 4.432 50 0 KIAARO CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3c4ccc(C)cc4[C@H]4C[N@@H+](C)CC[C@@H]43)cc2)cc1 ZINC000017527645 553597046 /nfs/dbraw/zinc/59/70/46/553597046.db2.gz GTPVVSLQHUGVDB-PXJZQJOASA-N 1 0 549.693 4.432 50 0 KIAARO C[NH+]1CCN(Cc2cc(-c3ccc(F)cc3)ccc2OCC(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000019333750 553613825 /nfs/dbraw/zinc/61/38/25/553613825.db2.gz JTILRZHEIXQAOZ-UHFFFAOYSA-N 1 0 500.618 4.459 50 0 KIAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCc3cccnc3)N(C3Cc4ccccc4C3)C2)c2ccccc12 ZINC000019607676 1064287940 /nfs/dbraw/zinc/28/79/40/1064287940.db2.gz JYPIZZFYRVJOEB-YZNIXAGQSA-N 1 0 506.650 4.260 50 0 KIAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000019720912 553615630 /nfs/dbraw/zinc/61/56/30/553615630.db2.gz URZKEBUKLPOXSO-XMMPIXPASA-N 1 0 504.428 4.488 50 0 KIAARO CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019798967 553617056 /nfs/dbraw/zinc/61/70/56/553617056.db2.gz ZJEKRYKLKKOHBG-UHFFFAOYSA-N 1 0 500.437 4.444 50 0 KIAARO CC(C)N1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)C[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000019839187 553623211 /nfs/dbraw/zinc/62/32/11/553623211.db2.gz JPAJPFCKGNJQAB-IAPPQJPRSA-N 1 0 515.654 4.294 50 0 KIAARO COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@H]([NH2+]CC3CCCCC3)CN1C1Cc3ccccc3C1)CC2 ZINC000019852655 553624168 /nfs/dbraw/zinc/62/41/68/553624168.db2.gz FGGLPZFNVFQZCQ-YTMVLYRLSA-N 1 0 517.714 4.369 50 0 KIAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccc(Cl)cc1 ZINC000019853565 553624187 /nfs/dbraw/zinc/62/41/87/553624187.db2.gz PEIAFISSXSLVAQ-XCZPVHLTSA-N 1 0 508.062 4.414 50 0 KIAARO O[C@@H](COc1ccc2ccccc2c1)CN1CCC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000019880477 553629217 /nfs/dbraw/zinc/62/92/17/553629217.db2.gz QGGSJFJKVFNWPD-FQLXRVMXSA-N 1 0 500.639 4.180 50 0 KIAARO Cc1cccc(Oc2coc3cc(OC[C@@H](O)CN4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912296 553633543 /nfs/dbraw/zinc/63/35/43/553633543.db2.gz AGUADGVEWOXPLJ-DEOSSOPVSA-N 1 0 500.595 4.451 50 0 KIAARO Cc1cccc(Oc2coc3cc(OC[C@H](O)CN4CC[NH+](Cc5ccccc5)CC4)ccc3c2=O)c1 ZINC000019912299 553633575 /nfs/dbraw/zinc/63/35/75/553633575.db2.gz AGUADGVEWOXPLJ-XMMPIXPASA-N 1 0 500.595 4.451 50 0 KIAARO O=c1oc2cc(OC[C@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2c2c1CCC2 ZINC000019912365 553633424 /nfs/dbraw/zinc/63/34/24/553633424.db2.gz ZXSAZRIAXISXJI-RUZDIDTESA-N 1 0 510.634 4.429 50 0 KIAARO O=c1oc2cc(OC[C@@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2c2c1CCC2 ZINC000019912370 553633551 /nfs/dbraw/zinc/63/35/51/553633551.db2.gz ZXSAZRIAXISXJI-VWLOTQADSA-N 1 0 510.634 4.429 50 0 KIAARO COc1ccc(Nc2nc(N)nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c(OC)c1 ZINC000019944416 553646171 /nfs/dbraw/zinc/64/61/71/553646171.db2.gz XSJQQCKBQLNUFK-UHFFFAOYSA-N 1 0 511.630 4.122 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104160 553688106 /nfs/dbraw/zinc/68/81/06/553688106.db2.gz LZKJMVICTQPITL-XZWHSSHBSA-N 1 0 532.729 4.452 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000020104162 553688119 /nfs/dbraw/zinc/68/81/19/553688119.db2.gz LZKJMVICTQPITL-LOYHVIPDSA-N 1 0 532.729 4.452 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104164 553688184 /nfs/dbraw/zinc/68/81/84/553688184.db2.gz LZKJMVICTQPITL-KYJUHHDHSA-N 1 0 532.729 4.452 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000020104166 553688203 /nfs/dbraw/zinc/68/82/03/553688203.db2.gz LZKJMVICTQPITL-IHLOFXLRSA-N 1 0 532.729 4.452 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@@H+]1CCc3ccccc3C1)[C@H]1c3ccccc3CCN1C2=O ZINC000020105036 553689468 /nfs/dbraw/zinc/68/94/68/553689468.db2.gz CDABTYXDDFLVMK-XZWHSSHBSA-N 1 0 525.649 4.105 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020105066 553689457 /nfs/dbraw/zinc/68/94/57/553689457.db2.gz QBHMGGTWLZWVTM-LOYHVIPDSA-N 1 0 525.649 4.321 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)NC1CC[NH+](Cc3ccccc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020105068 553689412 /nfs/dbraw/zinc/68/94/12/553689412.db2.gz QBHMGGTWLZWVTM-IHLOFXLRSA-N 1 0 525.649 4.321 50 0 KIAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020107940 553690829 /nfs/dbraw/zinc/69/08/29/553690829.db2.gz YDPGCUXSPNMCNN-VWLOTQADSA-N 1 0 524.687 4.301 50 0 KIAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000020107942 553690888 /nfs/dbraw/zinc/69/08/88/553690888.db2.gz YDPGCUXSPNMCNN-RUZDIDTESA-N 1 0 524.687 4.301 50 0 KIAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[NH+]3CCCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112606 553694619 /nfs/dbraw/zinc/69/46/19/553694619.db2.gz GFCCZZCLKPBHLH-WUFINQPMSA-N 1 0 539.673 4.014 50 0 KIAARO COc1ccc([C@H]2[C@@H](C(=O)NCCC[NH+]3CCCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112609 553694501 /nfs/dbraw/zinc/69/45/01/553694501.db2.gz GFCCZZCLKPBHLH-NSOVKSMOSA-N 1 0 539.673 4.014 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3CCCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112611 553694490 /nfs/dbraw/zinc/69/44/90/553694490.db2.gz GFCCZZCLKPBHLH-VSGBNLITSA-N 1 0 539.673 4.014 50 0 KIAARO COc1ccc([C@H]2[C@H](C(=O)NCCC[NH+]3CCCCCC3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000020112614 553694519 /nfs/dbraw/zinc/69/45/19/553694519.db2.gz GFCCZZCLKPBHLH-IZLXSDGUSA-N 1 0 539.673 4.014 50 0 KIAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020113065 553695013 /nfs/dbraw/zinc/69/50/13/553695013.db2.gz HCQSQECNMUBLES-RTPQPHRDSA-N 1 0 523.674 4.107 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000020113070 553695052 /nfs/dbraw/zinc/69/50/52/553695052.db2.gz HCQSQECNMUBLES-XNGOEPGBSA-N 1 0 523.674 4.107 50 0 KIAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000020113075 553695031 /nfs/dbraw/zinc/69/50/31/553695031.db2.gz IOTDUTAMRAJURO-RRPNLBNLSA-N 1 0 511.663 4.251 50 0 KIAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000020113078 553695028 /nfs/dbraw/zinc/69/50/28/553695028.db2.gz IOTDUTAMRAJURO-KAYWLYCHSA-N 1 0 511.663 4.251 50 0 KIAARO CCC[NH+](CCC)CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000020113080 553695126 /nfs/dbraw/zinc/69/51/26/553695126.db2.gz IOTDUTAMRAJURO-SVBPBHIXSA-N 1 0 511.663 4.251 50 0 KIAARO CCC[NH+](CCC)CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000020113083 553695005 /nfs/dbraw/zinc/69/50/05/553695005.db2.gz IOTDUTAMRAJURO-SXOMAYOGSA-N 1 0 511.663 4.251 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114300 553695744 /nfs/dbraw/zinc/69/57/44/553695744.db2.gz ILHXCVGIXMLMEU-BKOJROOZSA-N 1 0 511.638 4.238 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000020114302 553695790 /nfs/dbraw/zinc/69/57/90/553695790.db2.gz ILHXCVGIXMLMEU-HOLHGXAISA-N 1 0 511.638 4.238 50 0 KIAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114922 553696047 /nfs/dbraw/zinc/69/60/47/553696047.db2.gz RUYODEPWSAQDNM-VWLOTQADSA-N 1 0 524.687 4.157 50 0 KIAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114924 553695956 /nfs/dbraw/zinc/69/59/56/553695956.db2.gz RUYODEPWSAQDNM-RUZDIDTESA-N 1 0 524.687 4.157 50 0 KIAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114926 553696028 /nfs/dbraw/zinc/69/60/28/553696028.db2.gz PIBFBBWNBRCTSD-RUZDIDTESA-N 1 0 524.687 4.157 50 0 KIAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114928 553696015 /nfs/dbraw/zinc/69/60/15/553696015.db2.gz PIBFBBWNBRCTSD-VWLOTQADSA-N 1 0 524.687 4.157 50 0 KIAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114933 553696004 /nfs/dbraw/zinc/69/60/04/553696004.db2.gz FEZCMRPWFFYQFA-XMMPIXPASA-N 1 0 512.651 4.287 50 0 KIAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000020114935 553696024 /nfs/dbraw/zinc/69/60/24/553696024.db2.gz FEZCMRPWFFYQFA-DEOSSOPVSA-N 1 0 512.651 4.287 50 0 KIAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114949 553695988 /nfs/dbraw/zinc/69/59/88/553695988.db2.gz IATBNYKUFWDKTR-VWLOTQADSA-N 1 0 508.688 4.457 50 0 KIAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114951 553696041 /nfs/dbraw/zinc/69/60/41/553696041.db2.gz IATBNYKUFWDKTR-RUZDIDTESA-N 1 0 508.688 4.457 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114953 553696020 /nfs/dbraw/zinc/69/60/20/553696020.db2.gz FGMARRONHOOKCL-QHCPKHFHSA-N 1 0 515.079 4.411 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020114955 553695969 /nfs/dbraw/zinc/69/59/69/553695969.db2.gz FGMARRONHOOKCL-HSZRJFAPSA-N 1 0 515.079 4.411 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020115112 553696603 /nfs/dbraw/zinc/69/66/03/553696603.db2.gz JURAUJXMZKXXJC-DEOSSOPVSA-N 1 0 526.728 4.480 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000020115114 553696599 /nfs/dbraw/zinc/69/65/99/553696599.db2.gz JURAUJXMZKXXJC-XMMPIXPASA-N 1 0 526.728 4.480 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115136 553696552 /nfs/dbraw/zinc/69/65/52/553696552.db2.gz XMJAFJFROFBYEG-DEOSSOPVSA-N 1 0 528.122 4.007 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020115138 553696574 /nfs/dbraw/zinc/69/65/74/553696574.db2.gz XMJAFJFROFBYEG-XMMPIXPASA-N 1 0 528.122 4.007 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115157 553696607 /nfs/dbraw/zinc/69/66/07/553696607.db2.gz LRUBGGRAGUESRZ-VWLOTQADSA-N 1 0 508.688 4.457 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115159 553696548 /nfs/dbraw/zinc/69/65/48/553696548.db2.gz LRUBGGRAGUESRZ-RUZDIDTESA-N 1 0 508.688 4.457 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115161 553696651 /nfs/dbraw/zinc/69/66/51/553696651.db2.gz OWCPXBWWNCPKBI-DEOSSOPVSA-N 1 0 512.651 4.287 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCC(C)CC2)cc1 ZINC000020115163 553696618 /nfs/dbraw/zinc/69/66/18/553696618.db2.gz OWCPXBWWNCPKBI-XMMPIXPASA-N 1 0 512.651 4.287 50 0 KIAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCCCC3)C2=S)cc1 ZINC000020115211 553696955 /nfs/dbraw/zinc/69/69/55/553696955.db2.gz OQYCYAGFYLFLIB-RUZDIDTESA-N 1 0 524.687 4.301 50 0 KIAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCCCC3)C2=S)cc1 ZINC000020115213 553696892 /nfs/dbraw/zinc/69/68/92/553696892.db2.gz OQYCYAGFYLFLIB-VWLOTQADSA-N 1 0 524.687 4.301 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116154 553697519 /nfs/dbraw/zinc/69/75/19/553697519.db2.gz JRUPYIDWUVPALG-LNGGCWNSSA-N 1 0 508.751 4.053 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H](NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(C)C)CC1 ZINC000020116157 553697374 /nfs/dbraw/zinc/69/73/74/553697374.db2.gz JRUPYIDWUVPALG-SWENQFBLSA-N 1 0 508.751 4.053 50 0 KIAARO Cc1cc(N2CC[NH+](C)CC2)nc2ccc(NC(=O)CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000020136115 553593788 /nfs/dbraw/zinc/59/37/88/553593788.db2.gz ZKEICYJONXHQTA-UHFFFAOYSA-N 1 0 535.092 4.016 50 0 KIAARO CCN(CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1)c1cccc(C)c1 ZINC000020136249 553593780 /nfs/dbraw/zinc/59/37/80/553593780.db2.gz FHJZMNFIWWNMLG-UHFFFAOYSA-N 1 0 530.717 4.355 50 0 KIAARO CCN(CCCNC(=O)CCC(=O)Nc1ccc2nc(N3CC[NH+](C)CC3)cc(C)c2c1)c1ccccc1 ZINC000020136289 553593784 /nfs/dbraw/zinc/59/37/84/553593784.db2.gz ZSKJQKZTBRXOIV-UHFFFAOYSA-N 1 0 516.690 4.047 50 0 KIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(OC)cc4OC)ccc3n2)CC1 ZINC000020136347 553593824 /nfs/dbraw/zinc/59/38/24/553593824.db2.gz LFTSWTOLPJRBMR-UHFFFAOYSA-N 1 0 505.619 4.060 50 0 KIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(OC)c(OC)c4)ccc3n2)CC1 ZINC000020136350 553593903 /nfs/dbraw/zinc/59/39/03/553593903.db2.gz HTUPLYYOCXSTSA-UHFFFAOYSA-N 1 0 505.619 4.060 50 0 KIAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153440 553598286 /nfs/dbraw/zinc/59/82/86/553598286.db2.gz QCLAIWYYRIRTKW-WUFINQPMSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153442 553598341 /nfs/dbraw/zinc/59/83/41/553598341.db2.gz QCLAIWYYRIRTKW-NSOVKSMOSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153444 553598205 /nfs/dbraw/zinc/59/82/05/553598205.db2.gz QCLAIWYYRIRTKW-VSGBNLITSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CC[NH+](C4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153447 553598350 /nfs/dbraw/zinc/59/83/50/553598350.db2.gz QCLAIWYYRIRTKW-IZLXSDGUSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153449 553598348 /nfs/dbraw/zinc/59/83/48/553598348.db2.gz UTKMFDGAIVZFAA-WUFINQPMSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@H]1[C@@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153451 553598336 /nfs/dbraw/zinc/59/83/36/553598336.db2.gz UTKMFDGAIVZFAA-NSOVKSMOSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153453 553598319 /nfs/dbraw/zinc/59/83/19/553598319.db2.gz UTKMFDGAIVZFAA-VSGBNLITSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@H]1[C@H](C(=O)N3CCC([NH+]4CCCCC4)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153455 553598334 /nfs/dbraw/zinc/59/83/34/553598334.db2.gz UTKMFDGAIVZFAA-IZLXSDGUSA-N 1 0 503.643 4.018 50 0 KIAARO CC[NH+]1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5ccc(C(C)=O)cc5)CC4)ccc3n2)CC1 ZINC000020153635 553598220 /nfs/dbraw/zinc/59/82/20/553598220.db2.gz UWJMPJNIBYFABT-UHFFFAOYSA-N 1 0 516.715 4.407 50 0 KIAARO O=C(C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020154325 553598623 /nfs/dbraw/zinc/59/86/23/553598623.db2.gz MPVHFERWIVFXGJ-UHFFFAOYSA-N 1 0 532.570 4.072 50 0 KIAARO O=C(CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000020155269 553598912 /nfs/dbraw/zinc/59/89/12/553598912.db2.gz ZYIKYMMPLILGHR-UHFFFAOYSA-N 1 0 509.606 4.185 50 0 KIAARO COC(=O)CC[C@H]1CN(Cc2c(F)cccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000020166740 553600664 /nfs/dbraw/zinc/60/06/64/553600664.db2.gz BTZFOWXADSTJFK-GBXCKJPGSA-N 1 0 504.046 4.454 50 0 KIAARO Cn1c2ccccc2c2c1c(=O)n(C1CCCC1)cc2C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020182307 553604641 /nfs/dbraw/zinc/60/46/41/553604641.db2.gz OAQQFEOOPGENSE-UHFFFAOYSA-N 1 0 511.670 4.156 50 0 KIAARO CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)CC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000020192484 553606141 /nfs/dbraw/zinc/60/61/41/553606141.db2.gz WVUBTXWIRDWAII-DHZHZOJOSA-N 1 0 520.630 4.021 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@H]12 ZINC000020208947 553609850 /nfs/dbraw/zinc/60/98/50/553609850.db2.gz UXJUIVILUHYBDS-AOLGGSBGSA-N 1 0 505.659 4.311 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208995 553609892 /nfs/dbraw/zinc/60/98/92/553609892.db2.gz OFWUCCVONKKYED-VSGBNLITSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000020208998 553609872 /nfs/dbraw/zinc/60/98/72/553609872.db2.gz OFWUCCVONKKYED-WUFINQPMSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020209000 553609825 /nfs/dbraw/zinc/60/98/25/553609825.db2.gz OFWUCCVONKKYED-IZLXSDGUSA-N 1 0 503.643 4.018 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000020209004 553609781 /nfs/dbraw/zinc/60/97/81/553609781.db2.gz OFWUCCVONKKYED-NSOVKSMOSA-N 1 0 503.643 4.018 50 0 KIAARO COc1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3ccccc3)C2)c(OC)c1C ZINC000020211220 553610908 /nfs/dbraw/zinc/61/09/08/553610908.db2.gz BLPBWZKLUPFKRR-BDYUSTAISA-N 1 0 505.634 4.243 50 0 KIAARO COc1cccc(-c2nn(C)c3sc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)cc23)c1 ZINC000020233480 553619056 /nfs/dbraw/zinc/61/90/56/553619056.db2.gz JFYIFADUYPUSOO-UHFFFAOYSA-N 1 0 503.672 4.248 50 0 KIAARO COc1ccc(-c2nn(C)c3sc(C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)cc23)cc1OC ZINC000020233785 553619487 /nfs/dbraw/zinc/61/94/87/553619487.db2.gz BMANRVGWGOTKLU-UHFFFAOYSA-N 1 0 533.698 4.257 50 0 KIAARO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CCc2ccccc2C1)NCc1ccc2c(c1)OCO2 ZINC000020235625 553622181 /nfs/dbraw/zinc/62/21/81/553622181.db2.gz RHDNGQKLAXPBJJ-UHFFFAOYSA-N 1 0 508.578 4.126 50 0 KIAARO COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCC[NH+](CC(C)C)CC(C)C)c(C)o2)cc1OC ZINC000020241749 553626745 /nfs/dbraw/zinc/62/67/45/553626745.db2.gz VYRRAIVOGOOZSS-DHUJRADRSA-N 1 0 507.697 4.036 50 0 KIAARO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCC[NH+](CC(C)C)CC(C)C)c(C)o2)cc1OC ZINC000020241751 553626713 /nfs/dbraw/zinc/62/67/13/553626713.db2.gz VYRRAIVOGOOZSS-PGUFJCEWSA-N 1 0 507.697 4.036 50 0 KIAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000020242697 553627823 /nfs/dbraw/zinc/62/78/23/553627823.db2.gz BIGZZDQDIMGHEK-BHVANESWSA-N 1 0 501.652 4.456 50 0 KIAARO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[NH+]4CCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242699 553627831 /nfs/dbraw/zinc/62/78/31/553627831.db2.gz BIGZZDQDIMGHEK-PSXMRANNSA-N 1 0 501.652 4.456 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000020243031 553628136 /nfs/dbraw/zinc/62/81/36/553628136.db2.gz ACLRNCZGMBKVMZ-UHFFFAOYSA-N 1 0 505.640 4.060 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000020243078 553628082 /nfs/dbraw/zinc/62/80/82/553628082.db2.gz WUXADZKMOUKXOL-UHFFFAOYSA-N 1 0 526.058 4.405 50 0 KIAARO COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000020249511 553629087 /nfs/dbraw/zinc/62/90/87/553629087.db2.gz FGKYRECILSGQIS-UHFFFAOYSA-N 1 0 510.685 4.447 50 0 KIAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CCC([NH+]5CCCCC5)CC4)c(C)n3n2)c(OC)c1 ZINC000020282754 553631525 /nfs/dbraw/zinc/63/15/25/553631525.db2.gz GYXVDTXISFNGMB-UHFFFAOYSA-N 1 0 505.663 4.440 50 0 KIAARO COc1ccc(-c2cc3nc(C)c(CCC(=O)N4CC[NH+](C5CCCCC5)CC4)c(C)n3n2)c(OC)c1 ZINC000020282760 553631569 /nfs/dbraw/zinc/63/15/69/553631569.db2.gz ICMSJCDZFJUEEE-UHFFFAOYSA-N 1 0 505.663 4.440 50 0 KIAARO Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccc(C(C)C)cc1 ZINC000020323194 553638213 /nfs/dbraw/zinc/63/82/13/553638213.db2.gz BFMPIDQEQCKHLC-UHFFFAOYSA-N 1 0 517.740 4.126 50 0 KIAARO O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3ccccc3F)CC2)CC1 ZINC000020382695 553643795 /nfs/dbraw/zinc/64/37/95/553643795.db2.gz NZFDFTYVMCDKCB-UHFFFAOYSA-N 1 0 515.589 4.018 50 0 KIAARO O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1 ZINC000020382700 553643800 /nfs/dbraw/zinc/64/38/00/553643800.db2.gz CGBMCYXXINXNMM-UHFFFAOYSA-N 1 0 515.589 4.018 50 0 KIAARO O=C(c1ccco1)N1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1 ZINC000020382708 553643807 /nfs/dbraw/zinc/64/38/07/553643807.db2.gz HIOIWMULPGZMEI-UHFFFAOYSA-N 1 0 515.589 4.018 50 0 KIAARO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[NH+](CC)CC)CC3)s2)cc1 ZINC000020387828 553644376 /nfs/dbraw/zinc/64/43/76/553644376.db2.gz LEOVIIPAKISLPD-UHFFFAOYSA-N 1 0 539.750 4.404 50 0 KIAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000020388328 553644396 /nfs/dbraw/zinc/64/43/96/553644396.db2.gz ZWPSGEBQNAYHBR-DNQXCXABSA-N 1 0 530.717 4.308 50 0 KIAARO Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)N1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000020388345 553644465 /nfs/dbraw/zinc/64/44/65/553644465.db2.gz ZWPSGEBQNAYHBR-ZEQRLZLVSA-N 1 0 530.717 4.308 50 0 KIAARO Cc1cc2sc(N3CCC[C@@H](C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000020388881 553644439 /nfs/dbraw/zinc/64/44/39/553644439.db2.gz BZOQOFUESKKRLQ-RUZDIDTESA-N 1 0 505.732 4.454 50 0 KIAARO Cc1cc2sc(N3CCC[C@H](C(=O)NCCCN4CC[NH+](Cc5ccccc5)CC4)C3)nc2c(C)c1 ZINC000020388888 553644449 /nfs/dbraw/zinc/64/44/49/553644449.db2.gz BZOQOFUESKKRLQ-VWLOTQADSA-N 1 0 505.732 4.454 50 0 KIAARO C[NH+]1CCN(CCCNC(=O)c2ccc(Cn3c4cnccc4nc3SCc3ccccc3)cc2)CC1 ZINC000020389130 553644755 /nfs/dbraw/zinc/64/47/55/553644755.db2.gz ZAGZIKFZODIKTJ-UHFFFAOYSA-N 1 0 514.699 4.139 50 0 KIAARO COc1ccc(OC)c(C[N@H+](CCN2CCOCC2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)c1 ZINC000020412820 553647224 /nfs/dbraw/zinc/64/72/24/553647224.db2.gz SPMVOGOLDSKNHL-RHZKHNMOSA-N 1 0 512.691 4.152 50 0 biogenic KIAARO COc1ccc(OC)c(C[N@H+](CCN2CCOCC2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)c1 ZINC000020412824 553647482 /nfs/dbraw/zinc/64/74/82/553647482.db2.gz SPMVOGOLDSKNHL-HREWNLAKSA-N 1 0 512.691 4.152 50 0 biogenic KIAARO COc1ccccc1CNC(=O)CC[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@H]1N1CCOCC1 ZINC000020451967 553651613 /nfs/dbraw/zinc/65/16/13/553651613.db2.gz RRMNPTASZJFGFN-LMSSTIIKSA-N 1 0 501.671 4.468 50 0 KIAARO COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020461105 553655564 /nfs/dbraw/zinc/65/55/64/553655564.db2.gz QEYYGOFVCOGNSE-UHFFFAOYSA-N 1 0 512.610 4.309 50 0 KIAARO C=C1C(Nc2ccc(CN3CC[NH+](CC)CC3)cc2)=NS(=O)(=O)C1c1cccc(Br)c1 ZINC000020465826 553657115 /nfs/dbraw/zinc/65/71/15/553657115.db2.gz LGMSILGIUSFEPB-UHFFFAOYSA-N 1 0 503.466 4.172 50 0 KIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CCOC)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508258 553668099 /nfs/dbraw/zinc/66/80/99/553668099.db2.gz SPXNBAAQUJGQOD-WUFINQPMSA-N 1 0 532.710 4.451 50 0 KIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CCOC)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508261 553668067 /nfs/dbraw/zinc/66/80/67/553668067.db2.gz SPXNBAAQUJGQOD-VSGBNLITSA-N 1 0 532.710 4.451 50 0 KIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CCOC)[C@H]3c3cccs3)cc2)CC1 ZINC000020508264 553668104 /nfs/dbraw/zinc/66/81/04/553668104.db2.gz SPXNBAAQUJGQOD-NSOVKSMOSA-N 1 0 532.710 4.451 50 0 KIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CCOC)[C@H]3c3cccs3)cc2)CC1 ZINC000020508266 553668081 /nfs/dbraw/zinc/66/80/81/553668081.db2.gz SPXNBAAQUJGQOD-IZLXSDGUSA-N 1 0 532.710 4.451 50 0 KIAARO Cn1c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2nc1CC[NH+]1CCN(c2ccccc2)CC1 ZINC000020518574 553668768 /nfs/dbraw/zinc/66/87/68/553668768.db2.gz LTNFIBWFPKYJKK-UHFFFAOYSA-N 1 0 510.063 4.392 50 0 KIAARO COc1cc2c(cc1OC)-c1cc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc(=O)n1CC2 ZINC000020519324 553669085 /nfs/dbraw/zinc/66/90/85/553669085.db2.gz CEZFHBUKPHNEAL-UHFFFAOYSA-N 1 0 508.622 4.395 50 0 KIAARO Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020559418 553671977 /nfs/dbraw/zinc/67/19/77/553671977.db2.gz UCQBEVAASLFCIE-UHFFFAOYSA-N 1 0 500.622 4.048 50 0 KIAARO O=C(CSc1nc2ccsc2c(=O)n1CCC[NH+]1CCCCC1)NCCc1ccc(Cl)cc1 ZINC000020562046 553672771 /nfs/dbraw/zinc/67/27/71/553672771.db2.gz IFROIYFPOHFZLQ-UHFFFAOYSA-N 1 0 505.109 4.438 50 0 KIAARO CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020566885 553673638 /nfs/dbraw/zinc/67/36/38/553673638.db2.gz MJRMUZWTEQGRHA-AREMUKBSSA-N 1 0 502.659 4.023 50 0 KIAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020572261 553674490 /nfs/dbraw/zinc/67/44/90/553674490.db2.gz TVVHSPVHRUUGGH-SQVYLTPJSA-N 1 0 514.944 4.128 50 0 KIAARO O=C1Nc2c(cccc2Cl)[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 ZINC000020572263 553674464 /nfs/dbraw/zinc/67/44/64/553674464.db2.gz TVVHSPVHRUUGGH-WYNJNVBPSA-N 1 0 514.944 4.128 50 0 KIAARO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCCC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000020575576 553675588 /nfs/dbraw/zinc/67/55/88/553675588.db2.gz FBOUPQAXAPXCHV-UHFFFAOYSA-N 1 0 502.059 4.466 50 0 KIAARO COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)cc1OC ZINC000020576282 553676138 /nfs/dbraw/zinc/67/61/38/553676138.db2.gz RJERXMWILRFNOF-UHFFFAOYSA-N 1 0 518.687 4.001 50 0 KIAARO c1cc(CN2CC[NH+](C3CCCCC3)CC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020576291 553676143 /nfs/dbraw/zinc/67/61/43/553676143.db2.gz NSJHAEPNCTZXIG-UHFFFAOYSA-N 1 0 505.736 4.101 50 0 KIAARO COc1ccc(CC[NH2+]Cc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)cc1OC ZINC000020576455 553676165 /nfs/dbraw/zinc/67/61/65/553676165.db2.gz GJJGZCHMSJOUQB-UHFFFAOYSA-N 1 0 504.660 4.005 50 0 KIAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2)CN1Cc1cccc(Cl)c1 ZINC000020598904 553677188 /nfs/dbraw/zinc/67/71/88/553677188.db2.gz VNFDCFOLXNXPAK-IAPPQJPRSA-N 1 0 508.062 4.414 50 0 KIAARO CCN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3ccccc3Cl)CC2)CC1 ZINC000020599396 553677210 /nfs/dbraw/zinc/67/72/10/553677210.db2.gz VZQNJRXUDHPTNS-AHWVRZQESA-N 1 0 528.166 4.099 50 0 KIAARO O=C(CCCc1cn(C[NH+]2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCOCC1 ZINC000020648034 553685325 /nfs/dbraw/zinc/68/53/25/553685325.db2.gz KUSSGRBYQSZJPM-UHFFFAOYSA-N 1 0 503.672 4.212 50 0 KIAARO COc1ccc(CCNC(=O)CNC(=S)N2CC[N@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)cc1OC ZINC000020687944 553689610 /nfs/dbraw/zinc/68/96/10/553689610.db2.gz PVMZSNFIZVJLNQ-UHFFFAOYSA-N 1 0 538.758 4.066 50 0 biogenic KIAARO COc1ccc(CNC(=O)CNC(=S)N2CC[N@H+](Cc3ccc(C)cc3)C3(CCCCC3)C2)c(OC)c1 ZINC000020687972 553689578 /nfs/dbraw/zinc/68/95/78/553689578.db2.gz GWHIWGIURDOKRV-UHFFFAOYSA-N 1 0 524.731 4.024 50 0 KIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000020726930 553690407 /nfs/dbraw/zinc/69/04/07/553690407.db2.gz CVIDQESLHKVZCX-UHFFFAOYSA-N 1 0 523.703 4.179 50 0 KIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000020727392 553690585 /nfs/dbraw/zinc/69/05/85/553690585.db2.gz SIHBWBAXPWBBNZ-UHFFFAOYSA-N 1 0 523.703 4.179 50 0 KIAARO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000020728331 553691221 /nfs/dbraw/zinc/69/12/21/553691221.db2.gz XEHNUJGGZSSTLF-UHFFFAOYSA-N 1 0 523.703 4.179 50 0 KIAARO O=C(NCCC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(/C=C2/Oc3ccccc3NC2=O)cc1 ZINC000020731120 553691804 /nfs/dbraw/zinc/69/18/04/553691804.db2.gz MSVDFBPJYOEYHN-NHFJDJAPSA-N 1 0 500.574 4.140 50 0 KIAARO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CC[NH+](C)CC4)cc3)C2=O)cc1 ZINC000020732287 553692421 /nfs/dbraw/zinc/69/24/21/553692421.db2.gz VRHHFYMCGUXOLU-JBASAIQMSA-N 1 0 524.665 4.329 50 0 KIAARO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+]3CCCC3)C2=O)cc1Br ZINC000020732338 553692414 /nfs/dbraw/zinc/69/24/14/553692414.db2.gz OZOXPJXEVQWWDX-PXLXIMEGSA-N 1 0 516.461 4.150 50 0 KIAARO CC[NH+](CC)CCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000020732372 553692443 /nfs/dbraw/zinc/69/24/43/553692443.db2.gz USZWBFCHQWGUSC-PXLXIMEGSA-N 1 0 518.477 4.396 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000020736381 553693756 /nfs/dbraw/zinc/69/37/56/553693756.db2.gz QMYCIJHJMFTGJP-UHFFFAOYSA-N 1 0 526.058 4.405 50 0 KIAARO CCOc1ccc(-c2nc(CSCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c(C)o2)cc1 ZINC000020737047 553694315 /nfs/dbraw/zinc/69/43/15/553694315.db2.gz XZHIQGGGFFTFIU-UHFFFAOYSA-N 1 0 508.688 4.216 50 0 KIAARO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000020864703 553700799 /nfs/dbraw/zinc/70/07/99/553700799.db2.gz YBIPOOKJXSNNOS-UHFFFAOYSA-N 1 0 504.631 4.403 50 0 KIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000020918668 553704140 /nfs/dbraw/zinc/70/41/40/553704140.db2.gz SSUMQGHCOWKZDT-KFCPHXPSSA-N 1 0 530.669 4.269 50 0 KIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000020918677 553704242 /nfs/dbraw/zinc/70/42/42/553704242.db2.gz SSUMQGHCOWKZDT-ITOWZWGRSA-N 1 0 530.669 4.269 50 0 KIAARO c1cc(CN2CCC([NH+]3CCCCC3)CC2)n(-c2nnc(N3CCN(Cc4ccccc4)CC3)s2)c1 ZINC000020942722 553704935 /nfs/dbraw/zinc/70/49/35/553704935.db2.gz JHNGHLAKZIRJJL-UHFFFAOYSA-N 1 0 505.736 4.101 50 0 KIAARO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000020996042 553705391 /nfs/dbraw/zinc/70/53/91/553705391.db2.gz YDJFNYASBAVWDL-RBJSKKJNSA-N 1 0 529.100 4.131 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000021090373 553706284 /nfs/dbraw/zinc/70/62/84/553706284.db2.gz IXDVOUOSKOPFLO-BUHFOSPRSA-N 1 0 528.719 4.243 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCCCC2)CC1 ZINC000021090429 553706280 /nfs/dbraw/zinc/70/62/80/553706280.db2.gz WTNFSVNJPAMRLN-VAWYXSNFSA-N 1 0 532.682 4.076 50 0 KIAARO Cc1cc2c(cc(C(=O)N3CCC(C(=O)NCC[NH+]4CCCC4)CC3)n2Cc2c(F)cccc2Cl)o1 ZINC000021161258 553708044 /nfs/dbraw/zinc/70/80/44/553708044.db2.gz CXHJDWVTMZMPDE-UHFFFAOYSA-N 1 0 515.029 4.448 50 0 KIAARO CCC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4ccccc4n3Cc3ccccc3C)CC2)CC1 ZINC000021163003 553709150 /nfs/dbraw/zinc/70/91/50/553709150.db2.gz KLZVJZXXSUMNOO-UHFFFAOYSA-N 1 0 516.734 4.143 50 0 KIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)S/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000022147048 553727356 /nfs/dbraw/zinc/72/73/56/553727356.db2.gz NSSJOTGZWWFGEA-NKFKGCMQSA-N 1 0 525.627 4.259 50 0 KIAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000022459654 553742565 /nfs/dbraw/zinc/74/25/65/553742565.db2.gz QDDHNCBFPGLWBA-DEOSSOPVSA-N 1 0 551.428 4.330 50 0 KIAARO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)CN1CC[NH2+]CC1 ZINC000022796470 553751171 /nfs/dbraw/zinc/75/11/71/553751171.db2.gz RYBWQILOABJXMO-CQSZACIVSA-N 1 0 546.101 4.348 50 0 KIAARO O[C@@H](COc1ccc2ccccc2c1)CN1CCC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022801544 553751015 /nfs/dbraw/zinc/75/10/15/553751015.db2.gz QGGSJFJKVFNWPD-ISILISOKSA-N 1 0 500.639 4.180 50 0 KIAARO O[C@H](COc1ccc2ccccc2c1)CN1CCC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022801550 553750990 /nfs/dbraw/zinc/75/09/90/553750990.db2.gz QGGSJFJKVFNWPD-VMPREFPWSA-N 1 0 500.639 4.180 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000022828631 553753861 /nfs/dbraw/zinc/75/38/61/553753861.db2.gz OPZSYMWKCFJYOA-GCLMJIJYSA-N 1 0 513.082 4.098 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000022828634 553753804 /nfs/dbraw/zinc/75/38/04/553753804.db2.gz OPZSYMWKCFJYOA-CZILXDHESA-N 1 0 513.082 4.098 50 0 KIAARO CCOC(=O)C1C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000022828657 553754119 /nfs/dbraw/zinc/75/41/19/553754119.db2.gz XBRQAQUVRMMMOQ-DBUDQHHESA-N 1 0 506.691 4.061 50 0 KIAARO CCOC(=O)C1C(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000022828660 553754073 /nfs/dbraw/zinc/75/40/73/553754073.db2.gz XBRQAQUVRMMMOQ-GFJWVSBCSA-N 1 0 506.691 4.061 50 0 KIAARO COc1cc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc2c1OCO2 ZINC000022911921 1064278815 /nfs/dbraw/zinc/27/88/15/1064278815.db2.gz RHIFQPWTWUMBBN-ZCYQVOJMSA-N 1 0 540.035 4.308 50 0 KIAARO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000022914718 553766573 /nfs/dbraw/zinc/76/65/73/553766573.db2.gz LUEAEPVLXHHIOT-BQCMWAFGSA-N 1 0 521.702 4.036 50 0 KIAARO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2CCN(CCN3C(=O)c4cccc5cccc(c54)C3=O)CC2)CC1 ZINC000022914723 553766521 /nfs/dbraw/zinc/76/65/21/553766521.db2.gz LUEAEPVLXHHIOT-OADZCNSWSA-N 1 0 521.702 4.036 50 0 KIAARO CCOC(=O)c1sc2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)[nH]c(=O)c2c1C ZINC000022920947 553767113 /nfs/dbraw/zinc/76/71/13/553767113.db2.gz LBFJKYLTYIYGPL-UHFFFAOYSA-N 1 0 502.640 4.377 50 0 KIAARO COCCn1c(=S)n(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccncc1 ZINC000022927093 553767539 /nfs/dbraw/zinc/76/75/39/553767539.db2.gz GSFDGDPCWBRBQX-UHFFFAOYSA-N 1 0 500.672 4.487 50 0 KIAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CC[NH+](C2CCCCC2)CC1 ZINC000022934569 553767815 /nfs/dbraw/zinc/76/78/15/553767815.db2.gz MVNCQVCKCWLGJO-UHFFFAOYSA-N 1 0 505.457 4.386 50 0 KIAARO C[NH+]1CCN(CCCNC(=O)c2ccc(/C=C3\Oc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022938928 553768162 /nfs/dbraw/zinc/76/81/62/553768162.db2.gz SZODGJRZXSMEMW-ANYBSYGZSA-N 1 0 528.628 4.160 50 0 KIAARO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCCN4CC[NH+](C)CC4)cc3)C2=O)c1 ZINC000022938930 553768145 /nfs/dbraw/zinc/76/81/45/553768145.db2.gz YOYRJRDZVIQYKO-JBASAIQMSA-N 1 0 524.665 4.329 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000022952207 553768729 /nfs/dbraw/zinc/76/87/29/553768729.db2.gz BZGHGYOSUQUOFB-IOWSJCHKSA-N 1 0 556.707 4.333 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000022952210 553768738 /nfs/dbraw/zinc/76/87/38/553768738.db2.gz BZGHGYOSUQUOFB-FIRIVFDPSA-N 1 0 556.707 4.333 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000022952214 553768656 /nfs/dbraw/zinc/76/86/56/553768656.db2.gz BZGHGYOSUQUOFB-CONSDPRKSA-N 1 0 556.707 4.333 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000022952216 553768820 /nfs/dbraw/zinc/76/88/20/553768820.db2.gz BZGHGYOSUQUOFB-JSOSNVBQSA-N 1 0 556.707 4.333 50 0 KIAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000022972205 553768864 /nfs/dbraw/zinc/76/88/64/553768864.db2.gz GTVCTKSEZAHBGP-DEOSSOPVSA-N 1 0 504.428 4.488 50 0 KIAARO CC(=O)O[C@@H](C)C(=O)Nc1ccc2[nH]cc(CC[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1 ZINC000023336649 553774455 /nfs/dbraw/zinc/77/44/55/553774455.db2.gz KOOGRGYYYMZHKJ-KRWDZBQOSA-N 1 0 502.537 4.442 50 0 KIAARO C[N@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000023338662 553774416 /nfs/dbraw/zinc/77/44/16/553774416.db2.gz WNMFIQZWUDVRJS-UHFFFAOYSA-N 1 0 530.694 4.252 50 0 KIAARO COCCNC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000023339195 553774439 /nfs/dbraw/zinc/77/44/39/553774439.db2.gz MMQVEMHYXBTREG-RPLLCQBOSA-N 1 0 532.651 4.261 50 0 KIAARO COc1cc2c(cc1OC)CN(C(=O)COc1ccc(-c3ccc(F)cc3)cc1CN1CC[NH+](C)CC1)CC2 ZINC000023358473 553774482 /nfs/dbraw/zinc/77/44/82/553774482.db2.gz BFTZPQZOTZPISS-UHFFFAOYSA-N 1 0 533.644 4.221 50 0 KIAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1ccccc1Cl ZINC000023358570 553774427 /nfs/dbraw/zinc/77/44/27/553774427.db2.gz VEOJIAZGEYRDNA-LSYYVWMOSA-N 1 0 508.062 4.414 50 0 KIAARO CCN1CC[NH+](C2CCN(C(=O)c3ccc(-c4cccc(Cl)c4)nc3N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000023358632 553774466 /nfs/dbraw/zinc/77/44/66/553774466.db2.gz DGNXJBATIHMTCR-SZPZYZBQSA-N 1 0 526.125 4.258 50 0 KIAARO COCCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3ccccc3)c2)CN1Cc1cccc(Cl)c1 ZINC000023360932 553774361 /nfs/dbraw/zinc/77/43/61/553774361.db2.gz YVWGDZDETZAHND-XCZPVHLTSA-N 1 0 508.062 4.414 50 0 KIAARO O[C@@H](COc1cccc2ccccc21)CN1CC[NH+](C[C@@H](O)CCOc2cccc3ccccc32)CC1 ZINC000023633948 553787298 /nfs/dbraw/zinc/78/72/98/553787298.db2.gz TXXLUYBHTXLIEY-RRPNLBNLSA-N 1 0 500.639 4.180 50 0 KIAARO O[C@H](CCOc1cccc2ccccc21)C[NH+]1CCN(C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000023633950 553787318 /nfs/dbraw/zinc/78/73/18/553787318.db2.gz TXXLUYBHTXLIEY-KAYWLYCHSA-N 1 0 500.639 4.180 50 0 KIAARO O[C@@H](CCOc1cccc2ccccc21)C[NH+]1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000023633952 553787333 /nfs/dbraw/zinc/78/73/33/553787333.db2.gz TXXLUYBHTXLIEY-SVBPBHIXSA-N 1 0 500.639 4.180 50 0 KIAARO O[C@H](CCOc1cccc2ccccc21)C[NH+]1CCN(C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000023633954 553787233 /nfs/dbraw/zinc/78/72/33/553787233.db2.gz TXXLUYBHTXLIEY-SXOMAYOGSA-N 1 0 500.639 4.180 50 0 KIAARO COc1cc(C(=O)C[C@@H]2CCC[C@@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)[NH+]2C)cc(OC)c1OC ZINC000025693328 553812545 /nfs/dbraw/zinc/81/25/45/553812545.db2.gz PQRANDWRVLELFR-PMACEKPBSA-N 1 0 515.603 4.437 50 0 KIAARO COc1cc(C(=O)C[C@H]2CCC[C@@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)[N@@H+]2C)cc(OC)c1OC ZINC000025693332 553812823 /nfs/dbraw/zinc/81/28/23/553812823.db2.gz PQRANDWRVLELFR-BGYRXZFFSA-N 1 0 515.603 4.437 50 0 KIAARO COc1cc(C(=O)C[C@H]2CCC[C@H](CC(=O)c3cc(OC)c(OC)c(OC)c3)[NH+]2C)cc(OC)c1OC ZINC000025693338 553812773 /nfs/dbraw/zinc/81/27/73/553812773.db2.gz PQRANDWRVLELFR-WOJBJXKFSA-N 1 0 515.603 4.437 50 0 KIAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccs1 ZINC000025720748 553812988 /nfs/dbraw/zinc/81/29/88/553812988.db2.gz LCWIDQQKQPTCQZ-NRFANRHFSA-N 1 0 504.077 4.181 50 0 KIAARO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc3C2)c1)c1cccs1 ZINC000025720755 553812963 /nfs/dbraw/zinc/81/29/63/553812963.db2.gz LCWIDQQKQPTCQZ-OAQYLSRUSA-N 1 0 504.077 4.181 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000029747717 553848638 /nfs/dbraw/zinc/84/86/38/553848638.db2.gz BHCVMJXTVHYMAC-GDLZYMKVSA-N 1 0 540.664 4.274 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000029747718 553848578 /nfs/dbraw/zinc/84/85/78/553848578.db2.gz BHCVMJXTVHYMAC-LJAQVGFWSA-N 1 0 540.664 4.274 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000029749009 553850713 /nfs/dbraw/zinc/85/07/13/553850713.db2.gz KUJOIVIWNRGGNW-UJOCQTKCSA-N 1 0 529.637 4.094 50 0 KIAARO COc1ccc(-c2nc(C[NH+]3CCC(C(=O)NCCN4CCN(c5cccc(Cl)c5)CC4)CC3)c(C)o2)cc1OC ZINC000029749156 553851094 /nfs/dbraw/zinc/85/10/94/553851094.db2.gz PGADSIZNNHASKL-UHFFFAOYSA-N 1 0 582.145 4.471 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000029752746 553854724 /nfs/dbraw/zinc/85/47/24/553854724.db2.gz UOKOMAKZLJMJPD-IOWSJCHKSA-N 1 0 558.698 4.459 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(OC)cc2)CC1 ZINC000029752748 553854872 /nfs/dbraw/zinc/85/48/72/553854872.db2.gz UOKOMAKZLJMJPD-FIRIVFDPSA-N 1 0 558.698 4.459 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000029752749 553854785 /nfs/dbraw/zinc/85/47/85/553854785.db2.gz UOKOMAKZLJMJPD-CONSDPRKSA-N 1 0 558.698 4.459 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(OC)cc2)CC1 ZINC000029752751 553854766 /nfs/dbraw/zinc/85/47/66/553854766.db2.gz UOKOMAKZLJMJPD-JSOSNVBQSA-N 1 0 558.698 4.459 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000029752818 553854811 /nfs/dbraw/zinc/85/48/11/553854811.db2.gz YDLKGAHJDBUKFK-JGCGQSQUSA-N 1 0 558.679 4.362 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCC[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000029752820 553854676 /nfs/dbraw/zinc/85/46/76/553854676.db2.gz YDLKGAHJDBUKFK-YTTGMZPUSA-N 1 0 558.679 4.362 50 0 KIAARO COC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(Cc3cccc(Cl)c3)C2)cc1 ZINC000032565189 553869312 /nfs/dbraw/zinc/86/93/12/553869312.db2.gz CJWNOVWBUAKRCP-BDYUSTAISA-N 1 0 524.036 4.357 50 0 KIAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000032675974 553873220 /nfs/dbraw/zinc/87/32/20/553873220.db2.gz PBXKAWPIOANWHP-MDWZMJQESA-N 1 0 517.095 4.308 50 0 KIAARO COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)c(O)c2)c1 ZINC000032914647 553876422 /nfs/dbraw/zinc/87/64/22/553876422.db2.gz CWILGOLLHITYCF-UHFFFAOYSA-N 1 0 503.599 4.099 50 0 KIAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000032983099 553884801 /nfs/dbraw/zinc/88/48/01/553884801.db2.gz DUDKLECLMIOIDX-AREMUKBSSA-N 1 0 507.656 4.477 50 0 KIAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc1 ZINC000032983100 553884720 /nfs/dbraw/zinc/88/47/20/553884720.db2.gz DUDKLECLMIOIDX-SANMLTNESA-N 1 0 507.656 4.477 50 0 KIAARO CC1(C)CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)CC(C)(C)[NH2+]1 ZINC000032999424 553887510 /nfs/dbraw/zinc/88/75/10/553887510.db2.gz BYFFDGNXKNBFQS-UHFFFAOYSA-N 1 0 510.022 4.185 50 0 KIAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccc(OC)cc3)[NH+]3CCCCC3)c2)cc1 ZINC000033025988 553890453 /nfs/dbraw/zinc/89/04/53/553890453.db2.gz WGGJRPYJHGGRQG-HHHXNRCGSA-N 1 0 523.655 4.462 50 0 KIAARO COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCCC3)c2)cc1 ZINC000033025991 553890431 /nfs/dbraw/zinc/89/04/31/553890431.db2.gz WGGJRPYJHGGRQG-MHZLTWQESA-N 1 0 523.655 4.462 50 0 KIAARO O=C(Nc1cccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1)c1nnc(COc2ccccc2)s1 ZINC000033027199 553891046 /nfs/dbraw/zinc/89/10/46/553891046.db2.gz WMQJFMQCRNNWJG-UHFFFAOYSA-N 1 0 505.644 4.460 50 0 KIAARO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)c2nnc(COc3ccc(Cl)cc3)s2)cc1 ZINC000033027900 553891042 /nfs/dbraw/zinc/89/10/42/553891042.db2.gz MWJBMCYCLJJABQ-UHFFFAOYSA-N 1 0 502.040 4.485 50 0 KIAARO O=C(Nc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1)c1nnc(COc2ccc(Cl)cc2)s1 ZINC000033027933 553890982 /nfs/dbraw/zinc/89/09/82/553890982.db2.gz KJWGRWHJVPWFSH-UHFFFAOYSA-N 1 0 500.024 4.239 50 0 KIAARO O=C(Nc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1)c1nnc(COc2ccccc2)s1 ZINC000033027956 553890991 /nfs/dbraw/zinc/89/09/91/553890991.db2.gz OFPRQTFDQWVBJE-UHFFFAOYSA-N 1 0 505.644 4.460 50 0 KIAARO C[NH+](C)[C@@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000033028914 553891297 /nfs/dbraw/zinc/89/12/97/553891297.db2.gz QQWMKKZFQZKCNF-QFIPXVFZSA-N 1 0 502.434 4.283 50 0 KIAARO C[NH+](C)[C@H](CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)c1ccccc1 ZINC000033028916 553891444 /nfs/dbraw/zinc/89/14/44/553891444.db2.gz QQWMKKZFQZKCNF-JOCHJYFZSA-N 1 0 502.434 4.283 50 0 KIAARO Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)c1 ZINC000033033209 553892222 /nfs/dbraw/zinc/89/22/22/553892222.db2.gz NUMBUCSOFCSCTB-UHFFFAOYSA-N 1 0 500.709 4.268 50 0 KIAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)c(C)c1 ZINC000033033328 553892005 /nfs/dbraw/zinc/89/20/05/553892005.db2.gz AQJDOCWBFPIBHC-UHFFFAOYSA-N 1 0 500.709 4.268 50 0 KIAARO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1C ZINC000033033355 553892757 /nfs/dbraw/zinc/89/27/57/553892757.db2.gz QTUTXICETPBTLV-UHFFFAOYSA-N 1 0 500.709 4.268 50 0 KIAARO CCCCN(CC)C(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 ZINC000033033437 553892549 /nfs/dbraw/zinc/89/25/49/553892549.db2.gz XDEFJWVMMGNYGK-UHFFFAOYSA-N 1 0 500.709 4.358 50 0 KIAARO CCc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033463 553892594 /nfs/dbraw/zinc/89/25/94/553892594.db2.gz XZJKSQXPLDSSMZ-UHFFFAOYSA-N 1 0 500.709 4.214 50 0 KIAARO CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)N(CC(C)C)CC(C)C)ccc2N2CC[NH2+]CC2)cc1 ZINC000033033549 553892638 /nfs/dbraw/zinc/89/26/38/553892638.db2.gz SZFNBFDHQGVXOI-UHFFFAOYSA-N 1 0 516.708 4.050 50 0 KIAARO CCC[C@@H](C)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)CC1 ZINC000033058930 553904349 /nfs/dbraw/zinc/90/43/49/553904349.db2.gz YSRFMOKDEXWLSW-CTDFXDFQSA-N 1 0 532.682 4.026 50 0 KIAARO CCC[C@H](C)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccccc3F)CC2)CC1 ZINC000033058931 553904407 /nfs/dbraw/zinc/90/44/07/553904407.db2.gz YSRFMOKDEXWLSW-CFGKVWFZSA-N 1 0 532.682 4.026 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000033058941 553904380 /nfs/dbraw/zinc/90/43/80/553904380.db2.gz SSFHUURTEJLDPS-OUKQBFOZSA-N 1 0 532.682 4.074 50 0 KIAARO CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250937 553913605 /nfs/dbraw/zinc/91/36/05/553913605.db2.gz XGYWPHBOKAYEJD-HBRDYDSTSA-N 1 0 528.719 4.034 50 0 KIAARO CCC[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/c3c(C)cc(C)cc3C)C2)CC1 ZINC000033250938 553913668 /nfs/dbraw/zinc/91/36/68/553913668.db2.gz XGYWPHBOKAYEJD-GTCGAKFVSA-N 1 0 528.719 4.034 50 0 KIAARO FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 ZINC000033354842 553931468 /nfs/dbraw/zinc/93/14/68/553931468.db2.gz OIMQSSZUAHINRX-UHFFFAOYSA-N 1 0 559.637 4.441 50 0 KIAARO O=C(CCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000033356059 553938549 /nfs/dbraw/zinc/93/85/49/553938549.db2.gz FPOXTHFYQILKDH-UHFFFAOYSA-N 1 0 650.549 4.265 50 0 KIAARO CC(C)(C)C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O ZINC000033356060 553938634 /nfs/dbraw/zinc/93/86/34/553938634.db2.gz BQGWQORWAURCNG-UHFFFAOYSA-N 1 0 566.702 4.221 50 0 KIAARO Cc1ccc(-n2nc(C(=O)NCCC[NH+]3CCN(c4ccc(F)cc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1 ZINC000033356345 553940653 /nfs/dbraw/zinc/94/06/53/553940653.db2.gz DCUUVHJOVGKSBG-UHFFFAOYSA-N 1 0 552.654 4.267 50 0 KIAARO Cc1ccc(C)c(C[NH+]2CCC(CNC(=O)CCc3c(C)nc4nc(CNC(=O)OC(C)(C)C)nn4c3C)CC2)c1 ZINC000033356792 553944480 /nfs/dbraw/zinc/94/44/80/553944480.db2.gz HDKSKDYBNKVHJC-UHFFFAOYSA-N 1 0 563.747 4.344 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356839 553944846 /nfs/dbraw/zinc/94/48/46/553944846.db2.gz IOYRLJFIRXMMLC-FIRIVFDPSA-N 1 0 572.681 4.008 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)[C@H]1c3ccccc3CCN1C2=O ZINC000033356841 553944794 /nfs/dbraw/zinc/94/47/94/553944794.db2.gz IOYRLJFIRXMMLC-IOWSJCHKSA-N 1 0 572.681 4.008 50 0 KIAARO COc1cc2c(cc1OC)[C@@H](C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356844 553944802 /nfs/dbraw/zinc/94/48/02/553944802.db2.gz IOYRLJFIRXMMLC-JSOSNVBQSA-N 1 0 572.681 4.008 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1CCN(c3ccc(F)cc3)CC1)[C@@H]1c3ccccc3CCN1C2=O ZINC000033356846 553945073 /nfs/dbraw/zinc/94/50/73/553945073.db2.gz IOYRLJFIRXMMLC-CONSDPRKSA-N 1 0 572.681 4.008 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000033357102 553946486 /nfs/dbraw/zinc/94/64/86/553946486.db2.gz OOXBCKCOGHQLKZ-QHCPKHFHSA-N 1 0 623.017 4.470 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000033357104 553946440 /nfs/dbraw/zinc/94/64/40/553946440.db2.gz OOXBCKCOGHQLKZ-HSZRJFAPSA-N 1 0 623.017 4.470 50 0 KIAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2)CC(C)C ZINC000033357154 553947050 /nfs/dbraw/zinc/94/70/50/553947050.db2.gz ZPMOVCXRZCTTML-SANMLTNESA-N 1 0 563.164 4.422 50 0 KIAARO CC(C)C[NH+](CCCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](CS(=O)(=O)Cc1ccc(Cl)cc1)N2)CC(C)C ZINC000033357157 553947110 /nfs/dbraw/zinc/94/71/10/553947110.db2.gz ZPMOVCXRZCTTML-AREMUKBSSA-N 1 0 563.164 4.422 50 0 KIAARO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)c1 ZINC000033357395 553947987 /nfs/dbraw/zinc/94/79/87/553947987.db2.gz LPJZGFWJFMBAMB-HSZRJFAPSA-N 1 0 590.613 4.139 50 0 KIAARO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)c1 ZINC000033357397 553948061 /nfs/dbraw/zinc/94/80/61/553948061.db2.gz LPJZGFWJFMBAMB-QHCPKHFHSA-N 1 0 590.613 4.139 50 0 KIAARO CCCCNC(=O)CSc1nc2c(sc(=S)n2CC[NH+](CC)CC)c(=O)n1-c1ccccc1OC ZINC000033357929 553951896 /nfs/dbraw/zinc/95/18/96/553951896.db2.gz YTIIYDSIMQCKKG-UHFFFAOYSA-N 1 0 535.761 4.337 50 0 KIAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)C(C)C)cc1OC ZINC000033733173 553971047 /nfs/dbraw/zinc/97/10/47/553971047.db2.gz PORIHLQGZKTRHP-UHFFFAOYSA-N 1 0 513.679 4.147 50 0 KIAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)NC(C)(C)C)cc1OC ZINC000033827274 553974705 /nfs/dbraw/zinc/97/47/05/553974705.db2.gz ZAUYRUPJKWEYDE-UHFFFAOYSA-N 1 0 542.721 4.473 50 0 KIAARO COc1cc(C[N@@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)cc(OC)c1 ZINC000034681701 553985015 /nfs/dbraw/zinc/98/50/15/553985015.db2.gz HPVRMRQVGQTXHV-UHFFFAOYSA-N 1 0 511.022 4.482 50 0 KIAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c(OC)c1 ZINC000034681709 553985086 /nfs/dbraw/zinc/98/50/86/553985086.db2.gz JCOTXYGWAIDWSR-UHFFFAOYSA-N 1 0 511.022 4.482 50 0 KIAARO COc1cccc(C(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(OC)c(OC)c4OC)CC3)nc2)c1 ZINC000034681807 553984970 /nfs/dbraw/zinc/98/49/70/553984970.db2.gz HQZJLYDJRDIDJJ-UHFFFAOYSA-N 1 0 506.603 4.081 50 0 KIAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)c4cc(F)cc(F)c4)cn3)CC2)c(OC)c1OC ZINC000034681937 553985654 /nfs/dbraw/zinc/98/56/54/553985654.db2.gz HOOBLUNBEXJDRF-UHFFFAOYSA-N 1 0 512.557 4.350 50 0 KIAARO COc1ccc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4ccc(OC)c(OC)c4OC)CC3)nc2)cc1 ZINC000034682121 553985516 /nfs/dbraw/zinc/98/55/16/553985516.db2.gz MWCZJNOINJLIKS-UHFFFAOYSA-N 1 0 521.618 4.472 50 0 KIAARO COc1cc(C[N@@H+]2CCCN(c3ccc(NC(=O)Nc4cc(OC)cc(OC)c4)cn3)CC2)cc(OC)c1 ZINC000034682131 553985601 /nfs/dbraw/zinc/98/56/01/553985601.db2.gz JYFIXIZJSOVYFL-UHFFFAOYSA-N 1 0 521.618 4.472 50 0 KIAARO COc1cc(NC(=O)Nc2ccc(N3CCC[N@H+](Cc4cccc(OC)c4OC)CC3)nc2)cc(OC)c1 ZINC000034682133 553985526 /nfs/dbraw/zinc/98/55/26/553985526.db2.gz OSNGJFSCWUUMDQ-UHFFFAOYSA-N 1 0 521.618 4.472 50 0 KIAARO COc1ccc(OC)c(C[N@@H+]2CCCN(c3ccc(NC(=O)Nc4cc(OC)cc(OC)c4)cn3)CC2)c1 ZINC000034682134 553985486 /nfs/dbraw/zinc/98/54/86/553985486.db2.gz GOWTYUGYYUEWBF-UHFFFAOYSA-N 1 0 521.618 4.472 50 0 KIAARO O=C(Nc1ccc(N2CCC[N@@H+](C[C@H](O)COCc3ccco3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034682280 553985475 /nfs/dbraw/zinc/98/54/75/553985475.db2.gz BEPDAEBACFQSBB-QFIPXVFZSA-N 1 0 518.536 4.036 50 0 KIAARO O=C(NCc1ccc2c(c1)OCO2)c1coc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000034684543 553986624 /nfs/dbraw/zinc/98/66/24/553986624.db2.gz AOAWVJRVIJIDPM-UHFFFAOYSA-N 1 0 510.594 4.241 50 0 KIAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000034708056 553993975 /nfs/dbraw/zinc/99/39/75/553993975.db2.gz SGQXGGLVNXMXJF-NDEPHWFRSA-N 1 0 524.614 4.256 50 0 KIAARO COCC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000034708057 553993931 /nfs/dbraw/zinc/99/39/31/553993931.db2.gz SGQXGGLVNXMXJF-MUUNZHRXSA-N 1 0 524.614 4.256 50 0 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COCCN1CCN(C(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000034725935 553996787 /nfs/dbraw/zinc/99/67/87/553996787.db2.gz RMFWNKMFBUQZHI-UHFFFAOYSA-N 1 0 504.597 4.193 50 0 KIAARO COc1cc(OC)cc(C(=O)N2CCC(c3nc(C)ccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000034729639 553997334 /nfs/dbraw/zinc/99/73/34/553997334.db2.gz UBIVJGPSVUIELC-UHFFFAOYSA-N 1 0 520.674 4.127 50 0 KIAARO COc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)N3CC[NH+](C4CCCC4)CC3)CC2)c1 ZINC000034729650 553997384 /nfs/dbraw/zinc/99/73/84/553997384.db2.gz QGFDQVIIVPSNFY-UHFFFAOYSA-N 1 0 504.675 4.048 50 0 KIAARO COCCN1CCN(C(=O)c2ccc(C)nc2C2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000034730233 553997406 /nfs/dbraw/zinc/99/74/06/553997406.db2.gz NYHOIVHFNDOPDQ-UHFFFAOYSA-N 1 0 504.597 4.193 50 0 KIAARO O=c1cc(CSc2nc3ccccc3c3nc(CC[NH+]4CCCCC4)nn32)nc2ccc(Cl)cn12 ZINC000034744687 553998781 /nfs/dbraw/zinc/99/87/81/553998781.db2.gz LCKVZCHUOUZWSU-UHFFFAOYSA-N 1 0 506.035 4.260 50 0 KIAARO Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CC[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC000034759933 554001323 /nfs/dbraw/zinc/00/13/23/554001323.db2.gz RFHFZTPXPZNKBQ-UHFFFAOYSA-N 1 0 514.692 4.220 50 0 KIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc2n(n1)CCN(Cc1ccc(Cl)c(Cl)c1)C2=O ZINC000034811580 554010558 /nfs/dbraw/zinc/01/05/58/554010558.db2.gz UHYXFHAQZAQEJU-UHFFFAOYSA-N 1 0 512.441 4.240 50 0 KIAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc2n(n1)CCN(Cc1c(Cl)cccc1Cl)C2=O ZINC000034811681 554010733 /nfs/dbraw/zinc/01/07/33/554010733.db2.gz MXWNXDCPJGKZQY-UHFFFAOYSA-N 1 0 500.430 4.050 50 0 KIAARO O=C1NC2(CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)Nc2ccc(I)cc21 ZINC000034812265 554010847 /nfs/dbraw/zinc/01/08/47/554010847.db2.gz PDPCRMPPSAGAEH-UHFFFAOYSA-N 1 0 501.290 4.458 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829567 554012196 /nfs/dbraw/zinc/01/21/96/554012196.db2.gz UQIOQIJLQOLAKR-UHFFFAOYSA-N 1 0 509.720 4.478 50 0 KIAARO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830020 554013889 /nfs/dbraw/zinc/01/38/89/554013889.db2.gz ZOJHNKUHUHNJOC-NDEPHWFRSA-N 1 0 519.667 4.088 50 0 KIAARO COc1cc(OC)cc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034830021 554014131 /nfs/dbraw/zinc/01/41/31/554014131.db2.gz ZOJHNKUHUHNJOC-MUUNZHRXSA-N 1 0 519.667 4.088 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830058 554014525 /nfs/dbraw/zinc/01/45/25/554014525.db2.gz XFFCNWJRZMITFF-GDLZYMKVSA-N 1 0 503.668 4.226 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)COc2ccccc2)CC1 ZINC000034830059 554014499 /nfs/dbraw/zinc/01/44/99/554014499.db2.gz XFFCNWJRZMITFF-LJAQVGFWSA-N 1 0 503.668 4.226 50 0 KIAARO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830062 554014554 /nfs/dbraw/zinc/01/45/54/554014554.db2.gz OAUQRQIGIFUQME-LJAQVGFWSA-N 1 0 533.694 4.478 50 0 KIAARO COc1cc(OC)cc(C(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034830063 554014535 /nfs/dbraw/zinc/01/45/35/554014535.db2.gz OAUQRQIGIFUQME-GDLZYMKVSA-N 1 0 533.694 4.478 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830066 554014423 /nfs/dbraw/zinc/01/44/23/554014423.db2.gz RRXCUVPYHNYFQQ-MUUNZHRXSA-N 1 0 517.651 4.189 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830067 554014415 /nfs/dbraw/zinc/01/44/15/554014415.db2.gz RRXCUVPYHNYFQQ-NDEPHWFRSA-N 1 0 517.651 4.189 50 0 KIAARO COc1cccc(C(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000034830070 554014367 /nfs/dbraw/zinc/01/43/67/554014367.db2.gz GBXGRGGTRFXTNZ-NDEPHWFRSA-N 1 0 503.668 4.469 50 0 KIAARO COc1cccc(C(=O)N2CCCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000034830071 554014516 /nfs/dbraw/zinc/01/45/16/554014516.db2.gz GBXGRGGTRFXTNZ-MUUNZHRXSA-N 1 0 503.668 4.469 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034830116 554014448 /nfs/dbraw/zinc/01/44/48/554014448.db2.gz UPJJZDPKNMGYGX-NGOKVRLYSA-N 1 0 517.651 4.188 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000034830117 554014325 /nfs/dbraw/zinc/01/43/25/554014325.db2.gz UPJJZDPKNMGYGX-MMTVBGGISA-N 1 0 517.651 4.188 50 0 KIAARO COc1cccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)c1 ZINC000034830122 554014359 /nfs/dbraw/zinc/01/43/59/554014359.db2.gz FHLPMLUUPLLEOI-PIKZIKFNSA-N 1 0 503.668 4.467 50 0 KIAARO COc1cccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000034830123 554014401 /nfs/dbraw/zinc/01/44/01/554014401.db2.gz FHLPMLUUPLLEOI-KMRXNPHXSA-N 1 0 503.668 4.467 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034830130 554014375 /nfs/dbraw/zinc/01/43/75/554014375.db2.gz DJFPOBBNXZBAQO-DJUQAAIZSA-N 1 0 517.695 4.362 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000034830131 554014393 /nfs/dbraw/zinc/01/43/93/554014393.db2.gz DJFPOBBNXZBAQO-JHOBJCJYSA-N 1 0 517.695 4.362 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830204 554014705 /nfs/dbraw/zinc/01/47/05/554014705.db2.gz MSTQZJFCQZLSLN-GDLZYMKVSA-N 1 0 503.668 4.144 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830205 554014812 /nfs/dbraw/zinc/01/48/12/554014812.db2.gz MSTQZJFCQZLSLN-LJAQVGFWSA-N 1 0 503.668 4.144 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830226 554014833 /nfs/dbraw/zinc/01/48/33/554014833.db2.gz KAEUVWMQWWVBAK-SSEXGKCCSA-N 1 0 517.695 4.282 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830227 554014802 /nfs/dbraw/zinc/01/48/02/554014802.db2.gz KAEUVWMQWWVBAK-PMERELPUSA-N 1 0 517.695 4.282 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830250 554015431 /nfs/dbraw/zinc/01/54/31/554015431.db2.gz YBSVBJKGYPVSRA-GDLZYMKVSA-N 1 0 531.678 4.498 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830251 554015188 /nfs/dbraw/zinc/01/51/88/554015188.db2.gz YBSVBJKGYPVSRA-LJAQVGFWSA-N 1 0 531.678 4.498 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830330 554015164 /nfs/dbraw/zinc/01/51/64/554015164.db2.gz GULQGEAZBYHNJZ-RBISFHTESA-N 1 0 503.668 4.142 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000034830331 554015249 /nfs/dbraw/zinc/01/52/49/554015249.db2.gz GULQGEAZBYHNJZ-DWACAAAGSA-N 1 0 503.668 4.142 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830350 554015330 /nfs/dbraw/zinc/01/53/30/554015330.db2.gz MQQKNYPCXMMLED-CCLHPLFOSA-N 1 0 517.651 4.106 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830351 554015409 /nfs/dbraw/zinc/01/54/09/554015409.db2.gz MQQKNYPCXMMLED-DCFHFQCYSA-N 1 0 517.651 4.106 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830352 554015308 /nfs/dbraw/zinc/01/53/08/554015308.db2.gz GFPNVRUITGINDD-RBTNQOKQSA-N 1 0 505.659 4.445 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000034830353 554015171 /nfs/dbraw/zinc/01/51/71/554015171.db2.gz GFPNVRUITGINDD-KMRXNPHXSA-N 1 0 505.659 4.445 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830424 554015630 /nfs/dbraw/zinc/01/56/30/554015630.db2.gz JHIRAXCFJFOOGW-RBTNQOKQSA-N 1 0 531.678 4.496 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000034830425 554015671 /nfs/dbraw/zinc/01/56/71/554015671.db2.gz JHIRAXCFJFOOGW-KMRXNPHXSA-N 1 0 531.678 4.496 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830498 554016124 /nfs/dbraw/zinc/01/61/24/554016124.db2.gz JJGOCLSEEDAIBQ-LJAQVGFWSA-N 1 0 521.658 4.112 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)COCc2ccccc2)CC1 ZINC000034830499 554015989 /nfs/dbraw/zinc/01/59/89/554015989.db2.gz JJGOCLSEEDAIBQ-GDLZYMKVSA-N 1 0 521.658 4.112 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830599 554016603 /nfs/dbraw/zinc/01/66/03/554016603.db2.gz URDPOZYHXFYTCI-HHHXNRCGSA-N 1 0 509.697 4.009 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830600 554016684 /nfs/dbraw/zinc/01/66/84/554016684.db2.gz URDPOZYHXFYTCI-MHZLTWQESA-N 1 0 509.697 4.009 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830619 554016464 /nfs/dbraw/zinc/01/64/64/554016464.db2.gz IFHWSOGJJCARTE-WXVAWEFUSA-N 1 0 523.724 4.316 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000034830620 554016654 /nfs/dbraw/zinc/01/66/54/554016654.db2.gz IFHWSOGJJCARTE-CUNXSJBXSA-N 1 0 523.724 4.316 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034830631 554016535 /nfs/dbraw/zinc/01/65/35/554016535.db2.gz WLWFIFVPRGEBMO-HRFSGMKKSA-N 1 0 527.687 4.146 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000034830632 554016518 /nfs/dbraw/zinc/01/65/18/554016518.db2.gz WLWFIFVPRGEBMO-DCFHFQCYSA-N 1 0 527.687 4.146 50 0 KIAARO CC[NH+]1CCN(c2c(CN(C(=O)Cc3ccc(OC)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831303 554017021 /nfs/dbraw/zinc/01/70/21/554017021.db2.gz SSCUKXJZRYPSAV-UHFFFAOYSA-N 1 0 507.654 4.450 50 0 KIAARO CC[NH+]1CCN(c2c(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831309 554017042 /nfs/dbraw/zinc/01/70/42/554017042.db2.gz JRDKDMYFQWFERD-UHFFFAOYSA-N 1 0 507.610 4.241 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CC(C)C)C(=O)c3ccc4c(c3)OCO4)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831340 554016934 /nfs/dbraw/zinc/01/69/34/554016934.db2.gz QAOGTLWCCCMFHT-UHFFFAOYSA-N 1 0 521.637 4.489 50 0 KIAARO CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034831378 554016897 /nfs/dbraw/zinc/01/68/97/554016897.db2.gz YATBPXGCPAKLJK-UHFFFAOYSA-N 1 0 502.084 4.187 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(F)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831385 554017231 /nfs/dbraw/zinc/01/72/31/554017231.db2.gz FMRAZPFNUMATDF-UHFFFAOYSA-N 1 0 531.673 4.448 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3ccc(Cl)cc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831832 554017227 /nfs/dbraw/zinc/01/72/27/554017227.db2.gz VOMYDNWWZZSUNL-UHFFFAOYSA-N 1 0 514.045 4.404 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)CCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831843 554017253 /nfs/dbraw/zinc/01/72/53/554017253.db2.gz WAGVRDZSLCTOIP-UHFFFAOYSA-N 1 0 507.654 4.070 50 0 KIAARO CCc1ccc(C(=O)N(CCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](CC)CC2)cc1 ZINC000034831853 554017337 /nfs/dbraw/zinc/01/73/37/554017337.db2.gz QIKRHTFWLTVBPQ-UHFFFAOYSA-N 1 0 507.654 4.313 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)CCc1ccccc1 ZINC000034834554 554018887 /nfs/dbraw/zinc/01/88/87/554018887.db2.gz WUMOWZFGRGNRLC-UHFFFAOYSA-N 1 0 507.654 4.070 50 0 KIAARO CCc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C)CC2)cc1 ZINC000034834585 554018786 /nfs/dbraw/zinc/01/87/86/554018786.db2.gz ASODUJDUFOSMEX-UHFFFAOYSA-N 1 0 507.654 4.313 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)CSc1ccccc1 ZINC000034834598 554018729 /nfs/dbraw/zinc/01/87/29/554018729.db2.gz LDIOJIDQSQFMHR-UHFFFAOYSA-N 1 0 525.694 4.229 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000034834599 554018745 /nfs/dbraw/zinc/01/87/45/554018745.db2.gz HXRDROPBIBVCOZ-RRPNLBNLSA-N 1 0 519.665 4.240 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000034834601 554018896 /nfs/dbraw/zinc/01/88/96/554018896.db2.gz HXRDROPBIBVCOZ-SVBPBHIXSA-N 1 0 519.665 4.240 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)Nc1ccccc1C ZINC000034834816 554019348 /nfs/dbraw/zinc/01/93/48/554019348.db2.gz GTMRQIWZNDLTBR-UHFFFAOYSA-N 1 0 508.642 4.451 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)Nc1ccc(OC)cc1 ZINC000034834835 554019175 /nfs/dbraw/zinc/01/91/75/554019175.db2.gz MWDHVOIPGBNVAC-UHFFFAOYSA-N 1 0 506.651 4.012 50 0 KIAARO Cc1nn(-c2ccccc2)c(N2CC[NH+](C)CC2)c1CN(CC(C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000034834837 554019240 /nfs/dbraw/zinc/01/92/40/554019240.db2.gz DRVCRFYJUIDYRQ-UHFFFAOYSA-N 1 0 516.111 4.433 50 0 KIAARO COc1ccc(S(=O)(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CC[NH+](C)CC2)cc1 ZINC000034834878 554019189 /nfs/dbraw/zinc/01/91/89/554019189.db2.gz ZCWWHGSNYXIIFA-UHFFFAOYSA-N 1 0 525.719 4.178 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)c3cc(OC)cc(OC)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835170 554019606 /nfs/dbraw/zinc/01/96/06/554019606.db2.gz XSEIGHGRJAJFTB-UHFFFAOYSA-N 1 0 535.689 4.019 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)Cc3ccc(F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835186 554019531 /nfs/dbraw/zinc/01/95/31/554019531.db2.gz QGSHKGXTODCORA-UHFFFAOYSA-N 1 0 507.654 4.070 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)[C@@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835217 554019622 /nfs/dbraw/zinc/01/96/22/554019622.db2.gz GCIGAKBKIOYMOV-WUFINQPMSA-N 1 0 515.702 4.491 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCCOC)C(=O)[C@H]3C[C@H]3c3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835221 554019653 /nfs/dbraw/zinc/01/96/53/554019653.db2.gz GCIGAKBKIOYMOV-NSOVKSMOSA-N 1 0 515.702 4.491 50 0 KIAARO CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000034835273 554019593 /nfs/dbraw/zinc/01/95/93/554019593.db2.gz HUZUIZCAOWTIIA-JOCHJYFZSA-N 1 0 525.719 4.321 50 0 KIAARO CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](CC)CC1)S(=O)(=O)c1ccc(OC)cc1 ZINC000034835276 554019645 /nfs/dbraw/zinc/01/96/45/554019645.db2.gz HUZUIZCAOWTIIA-QFIPXVFZSA-N 1 0 525.719 4.321 50 0 KIAARO CCOC(=O)CCC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)CC(C)C ZINC000034835366 554019629 /nfs/dbraw/zinc/01/96/29/554019629.db2.gz QLRCOJLBZAAZBB-UHFFFAOYSA-N 1 0 529.701 4.432 50 0 KIAARO CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)CCC(=O)OCC ZINC000034835464 554020058 /nfs/dbraw/zinc/02/00/58/554020058.db2.gz NXYPZPQSCGZLBU-UHFFFAOYSA-N 1 0 515.674 4.186 50 0 KIAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)C(=O)COCc1ccccc1 ZINC000034835550 554019891 /nfs/dbraw/zinc/01/98/91/554019891.db2.gz WLFVHGFCFQUIOU-UHFFFAOYSA-N 1 0 507.654 4.417 50 0 KIAARO CC[NH+]1CCN(c2c(CN(C(=O)COCc3ccccc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835651 554020048 /nfs/dbraw/zinc/02/00/48/554020048.db2.gz JGYCDABCAJYTRT-UHFFFAOYSA-N 1 0 505.638 4.170 50 0 KIAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](CC)CC1)S(=O)(=O)Cc1ccccc1 ZINC000034835914 554020558 /nfs/dbraw/zinc/02/05/58/554020558.db2.gz CCXDXHFCFHFABD-UHFFFAOYSA-N 1 0 513.683 4.204 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCOC)Cc3ccc(F)c(F)c3)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836448 554020404 /nfs/dbraw/zinc/02/04/04/554020404.db2.gz LWBOCMWURTXDRH-UHFFFAOYSA-N 1 0 501.597 4.389 50 0 KIAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000034837454 554020833 /nfs/dbraw/zinc/02/08/33/554020833.db2.gz KQKMGRBFPCVFIS-UHFFFAOYSA-N 1 0 512.633 4.300 50 0 KIAARO O=C(NCC[NH+]1CCCCC1)c1nnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 ZINC000034839393 554020725 /nfs/dbraw/zinc/02/07/25/554020725.db2.gz KNQCRZMUANWSBD-UHFFFAOYSA-N 1 0 513.473 4.479 50 0 KIAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCCC2)C(=O)c2ccco2)cc1OC ZINC000034859668 554021753 /nfs/dbraw/zinc/02/17/53/554021753.db2.gz HXAQZHUVJMUGGR-UHFFFAOYSA-N 1 0 537.657 4.398 50 0 KIAARO O=C(c1ccccc1Cl)N1CCC([NH+]2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)CC1 ZINC000034912298 554029472 /nfs/dbraw/zinc/02/94/72/554029472.db2.gz WVCOIKGCOMUOLT-UHFFFAOYSA-N 1 0 513.057 4.145 50 0 KIAARO COc1ccc(C(=O)N2CCC([NH+]3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1 ZINC000034912366 554029533 /nfs/dbraw/zinc/02/95/33/554029533.db2.gz PVKJIGKRAMKGPP-UHFFFAOYSA-N 1 0 503.687 4.493 50 0 KIAARO O=C(COc1ccccc1)N1CCC([NH+]2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000034912379 554029398 /nfs/dbraw/zinc/02/93/98/554029398.db2.gz WCGOLJPDBNMQFJ-UHFFFAOYSA-N 1 0 503.687 4.250 50 0 KIAARO O=C(C1CC[NH+](C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000034912484 554029458 /nfs/dbraw/zinc/02/94/58/554029458.db2.gz BYENVKXYUCZMSG-UHFFFAOYSA-N 1 0 527.706 4.172 50 0 KIAARO COc1cccc(C(=O)N2[C@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)COC23CCC(C)CC3)c1 ZINC000034921057 554031305 /nfs/dbraw/zinc/03/13/05/554031305.db2.gz SLNBSZCMRTXCMV-AUSLDBMVSA-N 1 0 505.659 4.223 50 0 KIAARO COc1cccc(C(=O)N2[C@@H](C(=O)NC3CC[NH+](Cc4ccccc4)CC3)COC23CCC(C)CC3)c1 ZINC000034921060 554031295 /nfs/dbraw/zinc/03/12/95/554031295.db2.gz SLNBSZCMRTXCMV-OSNKGAMLSA-N 1 0 505.659 4.223 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928257 554033057 /nfs/dbraw/zinc/03/30/57/554033057.db2.gz ZYVXIIDVLGZARP-YMSRPXOMSA-N 1 0 509.647 4.004 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@@H]2CCC[N@@H+]2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928258 554032990 /nfs/dbraw/zinc/03/29/90/554032990.db2.gz ZYVXIIDVLGZARP-XZZVZQAVSA-N 1 0 509.647 4.004 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928279 554032901 /nfs/dbraw/zinc/03/29/01/554032901.db2.gz LGOXEFXNQSXFHG-VSGBNLITSA-N 1 0 535.685 4.490 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928280 554032934 /nfs/dbraw/zinc/03/29/34/554032934.db2.gz LGOXEFXNQSXFHG-IZLXSDGUSA-N 1 0 535.685 4.490 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928281 554032981 /nfs/dbraw/zinc/03/29/81/554032981.db2.gz LGOXEFXNQSXFHG-WUFINQPMSA-N 1 0 535.685 4.490 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000034928282 554032974 /nfs/dbraw/zinc/03/29/74/554032974.db2.gz LGOXEFXNQSXFHG-NSOVKSMOSA-N 1 0 535.685 4.490 50 0 KIAARO COc1ccc(C(=O)[C@H]2[C@@]3(c4ccccc4NC3=O)[C@@H]3CCC[N@@H+]3[C@]23c2cc(C)cc(C)c2NC3=O)cc1 ZINC000035363860 554044747 /nfs/dbraw/zinc/04/47/47/554044747.db2.gz WTFWXBIQZIGIDT-LQBYHZHOSA-N 1 0 507.590 4.327 50 0 biogenic KIAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)[NH2+][C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000035375664 554045376 /nfs/dbraw/zinc/04/53/76/554045376.db2.gz XYEKHEWXWXZAHZ-XADOIVSYSA-N 1 0 507.974 4.070 50 0 KIAARO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)c1 ZINC000035375693 554045211 /nfs/dbraw/zinc/04/52/11/554045211.db2.gz WBBGCEBGWUJPMT-BWGXUDETSA-N 1 0 501.583 4.033 50 0 KIAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000035396311 554047314 /nfs/dbraw/zinc/04/73/14/554047314.db2.gz HWDPFJYBEWFTIK-FDGPYGQJSA-N 1 0 503.908 4.204 50 0 KIAARO COc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397199 554047909 /nfs/dbraw/zinc/04/79/09/554047909.db2.gz FIHCJIJADRZPQF-UHFFFAOYSA-N 1 0 501.450 4.453 50 0 KIAARO COc1cccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)c1 ZINC000035397200 554047844 /nfs/dbraw/zinc/04/78/44/554047844.db2.gz LVXFJWLVIKNKCT-UHFFFAOYSA-N 1 0 501.450 4.453 50 0 KIAARO C[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(Br)cc1)=N2 ZINC000035397201 554047724 /nfs/dbraw/zinc/04/77/24/554047724.db2.gz KEUGZCPAHXQVIE-UHFFFAOYSA-N 1 0 515.433 4.173 50 0 KIAARO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000035419770 554049710 /nfs/dbraw/zinc/04/97/10/554049710.db2.gz ROVNYUMNEIOLGR-UHFFFAOYSA-N 1 0 505.402 4.421 50 0 KIAARO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 ZINC000035564949 554061055 /nfs/dbraw/zinc/06/10/55/554061055.db2.gz YWHSLRWNUYHBSQ-VWNXMTODSA-N 1 0 511.669 4.095 50 0 KIAARO [NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035686529 554063253 /nfs/dbraw/zinc/06/32/53/554063253.db2.gz BKZOHNMDWLYRLP-NDEPHWFRSA-N 1 0 514.670 4.344 50 0 KIAARO [NH3+]CCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000035686530 554063149 /nfs/dbraw/zinc/06/31/49/554063149.db2.gz BKZOHNMDWLYRLP-MUUNZHRXSA-N 1 0 514.670 4.344 50 0 KIAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COCC(C)C)CC2CC2)c1 ZINC000035778988 554074743 /nfs/dbraw/zinc/07/47/43/554074743.db2.gz KELSOSNTOYLBPG-JYFHCDHNSA-N 1 0 500.705 4.307 50 0 KIAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@H](O)COCC(C)C)CC2CC2)c1 ZINC000035778990 554074636 /nfs/dbraw/zinc/07/46/36/554074636.db2.gz KELSOSNTOYLBPG-OZXSUGGESA-N 1 0 500.705 4.307 50 0 KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035806807 554075720 /nfs/dbraw/zinc/07/57/20/554075720.db2.gz GPMILASLXAYRTN-LLXHICIGSA-N 1 0 507.590 4.408 50 0 KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000035807160 554076087 /nfs/dbraw/zinc/07/60/87/554076087.db2.gz TXAPGBAUFDPOSG-APPQYHDTSA-N 1 0 507.590 4.408 50 0 KIAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)c2ccco2)cc1OC ZINC000035809001 554077550 /nfs/dbraw/zinc/07/75/50/554077550.db2.gz XPCDFXNNCSEDSL-UHFFFAOYSA-N 1 0 523.630 4.008 50 0 KIAARO COc1ccc(OC)c(NC(=O)[C@@H]2C[C@H](Cc3ccc(O)cc3)[NH2+][C@]23C(=O)Nc2c3cc(C)cc2C)c1 ZINC000035828116 554079013 /nfs/dbraw/zinc/07/90/13/554079013.db2.gz WBBGCEBGWUJPMT-IFCAXNDLSA-N 1 0 501.583 4.033 50 0 KIAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035843294 554082150 /nfs/dbraw/zinc/08/21/50/554082150.db2.gz MOVHWHGVJBESTF-SYSFZUQMSA-N 1 0 503.908 4.407 50 0 KIAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035851712 554083611 /nfs/dbraw/zinc/08/36/11/554083611.db2.gz BGHVDJNBCWPPKQ-BKJGLDIHSA-N 1 0 503.908 4.407 50 0 KIAARO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871452 554085780 /nfs/dbraw/zinc/08/57/80/554085780.db2.gz NXKQCAHDPXTDNM-BDYUSTAISA-N 1 0 508.588 4.365 50 0 KIAARO O=C(NCCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871573 554086238 /nfs/dbraw/zinc/08/62/38/554086238.db2.gz BOEOAFQZTJGXQW-BDYUSTAISA-N 1 0 524.587 4.201 50 0 KIAARO O=C(NCc1ccccn1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871579 554086104 /nfs/dbraw/zinc/08/61/04/554086104.db2.gz GMQYUOSCHCNZFI-AHWVRZQESA-N 1 0 510.560 4.159 50 0 KIAARO O=C(NCc1cccnc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000035871580 554086144 /nfs/dbraw/zinc/08/61/44/554086144.db2.gz JZTBXLQQJINUHG-AHWVRZQESA-N 1 0 510.560 4.159 50 0 KIAARO COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872076 554086469 /nfs/dbraw/zinc/08/64/69/554086469.db2.gz ZBCQQZFUUBIYLQ-XRKRLSELSA-N 1 0 503.618 4.065 50 0 KIAARO COc1ccc(CCNC(=O)[C@H]2Cc3ccc(OC)cc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]23)cc1 ZINC000035872077 554086508 /nfs/dbraw/zinc/08/65/08/554086508.db2.gz ZBCQQZFUUBIYLQ-LMSSTIIKSA-N 1 0 503.618 4.065 50 0 KIAARO CC(C)CN1C(=O)N(CC(C)C)C(=O)C2(Cc3ccccc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C1=O ZINC000035877172 554087848 /nfs/dbraw/zinc/08/78/48/554087848.db2.gz MJRMUZWTEQGRHA-SANMLTNESA-N 1 0 502.659 4.023 50 0 KIAARO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035894114 554091796 /nfs/dbraw/zinc/09/17/96/554091796.db2.gz NWVAOZRFCFUSLD-XNMGPUDCSA-N 1 0 503.618 4.065 50 0 KIAARO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]23)cc1OC ZINC000035894116 554091833 /nfs/dbraw/zinc/09/18/33/554091833.db2.gz NWVAOZRFCFUSLD-AHKZPQOWSA-N 1 0 503.618 4.065 50 0 KIAARO COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@H](C(=O)NCC[NH+]4CCCCC4)[C@@H]3C2)c1 ZINC000035908019 554092465 /nfs/dbraw/zinc/09/24/65/554092465.db2.gz NBQSZFLUDMORBY-AHWVRZQESA-N 1 0 516.608 4.184 50 0 KIAARO CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)CC1 ZINC000035908095 554092284 /nfs/dbraw/zinc/09/22/84/554092284.db2.gz FZXGDMNCXSYXIG-ISKFKSNPSA-N 1 0 507.597 4.113 50 0 KIAARO CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@H]23)CC1 ZINC000035908096 554092272 /nfs/dbraw/zinc/09/22/72/554092272.db2.gz FZXGDMNCXSYXIG-LADGPHEKSA-N 1 0 507.597 4.113 50 0 KIAARO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000035908110 554092244 /nfs/dbraw/zinc/09/22/44/554092244.db2.gz FOOAQQLGYDPMKP-RFRNZTGYSA-N 1 0 517.592 4.083 50 0 KIAARO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000035908112 554092693 /nfs/dbraw/zinc/09/26/93/554092693.db2.gz FOOAQQLGYDPMKP-QBIGFDGOSA-N 1 0 517.592 4.083 50 0 KIAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CCOc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929935 554101708 /nfs/dbraw/zinc/10/17/08/554101708.db2.gz QYNRFVWIYJNKJJ-UHFFFAOYSA-N 1 0 523.616 4.464 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](CCSC)[NH2+][C@]32c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000035955842 554107890 /nfs/dbraw/zinc/10/78/90/554107890.db2.gz QXDXCFYVNWKEGW-YKEGNUIGSA-N 1 0 545.636 4.107 50 0 KIAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)nc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000035988872 554122429 /nfs/dbraw/zinc/12/24/29/554122429.db2.gz FXJFUMPPIZZOBL-AREMUKBSSA-N 1 0 527.669 4.190 50 0 KIAARO CCOC(=O)[C@H]1CCCN(C(=O)c2cnc(-c3ccc(C)cc3)nc2N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000035988873 554122504 /nfs/dbraw/zinc/12/25/04/554122504.db2.gz FXJFUMPPIZZOBL-SANMLTNESA-N 1 0 527.669 4.190 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000035991226 554124028 /nfs/dbraw/zinc/12/40/28/554124028.db2.gz GTKRQNBSMNJUDI-XMMPIXPASA-N 1 0 517.457 4.325 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000035991227 554124024 /nfs/dbraw/zinc/12/40/24/554124024.db2.gz GTKRQNBSMNJUDI-DEOSSOPVSA-N 1 0 517.457 4.325 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000035991394 554124158 /nfs/dbraw/zinc/12/41/58/554124158.db2.gz XCQJROWERALYQN-XMMPIXPASA-N 1 0 517.457 4.325 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000035991395 554124062 /nfs/dbraw/zinc/12/40/62/554124062.db2.gz XCQJROWERALYQN-DEOSSOPVSA-N 1 0 517.457 4.325 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(CC)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991474 554124152 /nfs/dbraw/zinc/12/41/52/554124152.db2.gz IXKLRRVDAFFQPB-VWLOTQADSA-N 1 0 530.591 4.427 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(CC)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991475 554124039 /nfs/dbraw/zinc/12/40/39/554124039.db2.gz IXKLRRVDAFFQPB-RUZDIDTESA-N 1 0 530.591 4.427 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(C)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991490 554124172 /nfs/dbraw/zinc/12/41/72/554124172.db2.gz XHPCKVREXHOTCH-XMMPIXPASA-N 1 0 516.564 4.037 50 0 KIAARO CCOC(=O)C1=C(CN2CC[NH+](Cc3ccccc3)CC2)N(C)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000035991491 554124120 /nfs/dbraw/zinc/12/41/20/554124120.db2.gz XHPCKVREXHOTCH-DEOSSOPVSA-N 1 0 516.564 4.037 50 0 KIAARO O=C(NCc1ccc2c(c1)OCO2)c1cnc(-c2ccc(F)cc2)nc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000036003175 554129380 /nfs/dbraw/zinc/12/93/80/554129380.db2.gz NBRGGXUMWQMIHZ-UHFFFAOYSA-N 1 0 525.584 4.264 50 0 KIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)N2CCOCC2)c1)c1ccccc1Cl ZINC000036027571 554141077 /nfs/dbraw/zinc/14/10/77/554141077.db2.gz BENFVRBWAXDCKB-UHFFFAOYSA-N 1 0 519.045 4.387 50 0 KIAARO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(C(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000036027578 554141146 /nfs/dbraw/zinc/14/11/46/554141146.db2.gz UPBBMAZWHNDSAA-UHFFFAOYSA-N 1 0 519.045 4.387 50 0 KIAARO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4cccc(C)c4)CC3)c(C(=O)N3CCOCC3)c2)cc1 ZINC000036027584 554141202 /nfs/dbraw/zinc/14/12/02/554141202.db2.gz FSTSWKAJNIWVNW-UHFFFAOYSA-N 1 0 528.653 4.051 50 0 KIAARO Cc1cccc(C[NH+]2CCN(c3ccc(NC(=O)c4cccc(F)c4)cc3C(=O)N3CCOCC3)CC2)c1 ZINC000036027590 554141059 /nfs/dbraw/zinc/14/10/59/554141059.db2.gz AGLXVELEARFVJP-UHFFFAOYSA-N 1 0 516.617 4.181 50 0 KIAARO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4cccc(C)c4)CC3)c(C(=O)N3CCOCC3)c2)c1 ZINC000036027593 554141108 /nfs/dbraw/zinc/14/11/08/554141108.db2.gz OBVVBOQVFLFSPL-UHFFFAOYSA-N 1 0 528.653 4.051 50 0 KIAARO CC[C@@H](C)[C@H]1NC2(CCN(C(=O)c3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027854 554141125 /nfs/dbraw/zinc/14/11/25/554141125.db2.gz ZJMJEQDCGWKFEZ-UFHPHHKVSA-N 1 0 502.703 4.438 50 0 KIAARO CC[C@H](C)[C@H]1NC2(CCN(C(=O)c3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027855 554141087 /nfs/dbraw/zinc/14/10/87/554141087.db2.gz ZJMJEQDCGWKFEZ-RBJSKKJNSA-N 1 0 502.703 4.438 50 0 KIAARO CC[C@@H](C)[C@@H]1NC2(CCN(C(=O)c3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027856 554141222 /nfs/dbraw/zinc/14/12/22/554141222.db2.gz ZJMJEQDCGWKFEZ-YWEHKCAJSA-N 1 0 502.703 4.438 50 0 KIAARO CC[C@H](C)[C@@H]1NC2(CCN(C(=O)c3ccc(C)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036027857 554141240 /nfs/dbraw/zinc/14/12/40/554141240.db2.gz ZJMJEQDCGWKFEZ-CUBQBAPOSA-N 1 0 502.703 4.438 50 0 KIAARO CC[NH+]1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCCc4ccccn4)o3)n2)CC1 ZINC000036029921 554142079 /nfs/dbraw/zinc/14/20/79/554142079.db2.gz FXJGTIOVAHFSKC-UHFFFAOYSA-N 1 0 508.692 4.169 50 0 KIAARO CCc1cc(N2CC[NH+](CC)CC2)nc(SCc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)n1 ZINC000036038484 554146450 /nfs/dbraw/zinc/14/64/50/554146450.db2.gz KVVTZCSHEWMORE-UHFFFAOYSA-N 1 0 519.671 4.132 50 0 KIAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1 ZINC000036040907 554150396 /nfs/dbraw/zinc/15/03/96/554150396.db2.gz MBUSYUSBWKGSKT-UHFFFAOYSA-N 1 0 507.660 4.067 50 0 KIAARO COc1cccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(F)cc2)c1 ZINC000036044857 554152711 /nfs/dbraw/zinc/15/27/11/554152711.db2.gz BSRWDHTXQDNNCV-UHFFFAOYSA-N 1 0 515.589 4.330 50 0 KIAARO CC[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4ccncc4)cc3)n2)CC1 ZINC000036045156 554153217 /nfs/dbraw/zinc/15/32/17/554153217.db2.gz PNVBDBYSSJOORQ-UHFFFAOYSA-N 1 0 516.593 4.255 50 0 KIAARO CC[NH+]1CCN(c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)NCc4cccnc4)cc3)n2)CC1 ZINC000036045161 554153527 /nfs/dbraw/zinc/15/35/27/554153527.db2.gz YECZEUVRNBTVGL-UHFFFAOYSA-N 1 0 516.593 4.255 50 0 KIAARO CC[NH+]1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)NCCc4ccccn4)cc3)n2)CC1 ZINC000036049747 554156246 /nfs/dbraw/zinc/15/62/46/554156246.db2.gz MTZFHLWWEKSQOR-UHFFFAOYSA-N 1 0 504.704 4.402 50 0 KIAARO COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(CC[NH+](C)C)C(=O)NC(C)(C)C)n2)cc1 ZINC000036051483 554157137 /nfs/dbraw/zinc/15/71/37/554157137.db2.gz DUDINVPMRPMGRW-UHFFFAOYSA-N 1 0 506.651 4.167 50 0 KIAARO COc1ccc(CCN(C)c2cc(C)nc(SCc3cccc(C(=O)NCC[NH+](C)C)c3)n2)cc1OC ZINC000036053855 554158638 /nfs/dbraw/zinc/15/86/38/554158638.db2.gz ZSBGDNNKDDYCOL-UHFFFAOYSA-N 1 0 523.703 4.065 50 0 KIAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NC3CC3)cc2)n1 ZINC000036053906 554159099 /nfs/dbraw/zinc/15/90/99/554159099.db2.gz KROXWYMWXMHGSC-UHFFFAOYSA-N 1 0 503.672 4.130 50 0 KIAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC3CC3)cc2)n1 ZINC000036053907 554159064 /nfs/dbraw/zinc/15/90/64/554159064.db2.gz CVAXDCSSTUIFSB-UHFFFAOYSA-N 1 0 517.699 4.377 50 0 KIAARO Cc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000036059191 554160435 /nfs/dbraw/zinc/16/04/35/554160435.db2.gz BNAIKWHLTXRCQT-UHFFFAOYSA-N 1 0 525.122 4.349 50 0 KIAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2cccc(C(=O)N3CCCC3)c2)n1 ZINC000036061602 554161748 /nfs/dbraw/zinc/16/17/48/554161748.db2.gz DFWDIGNIYMZZEG-UHFFFAOYSA-N 1 0 517.699 4.474 50 0 KIAARO Cc1nc(SCc2cccc(C(=O)NCC[NH+](C)C)c2)nc(N2CCN(c3ccccc3F)CC2)c1C ZINC000036064106 554162895 /nfs/dbraw/zinc/16/28/95/554162895.db2.gz KXJKTBRKPSZZQJ-UHFFFAOYSA-N 1 0 522.694 4.143 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@@H+]1CCc3ccccc3C1)[C@@H]1c3ccccc3CCN1C2=O ZINC000036066151 554165322 /nfs/dbraw/zinc/16/53/22/554165322.db2.gz CDABTYXDDFLVMK-KYJUHHDHSA-N 1 0 525.649 4.105 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000036067113 554165554 /nfs/dbraw/zinc/16/55/54/554165554.db2.gz HCQSQECNMUBLES-SEHWEYEPSA-N 1 0 523.674 4.107 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000036067114 554165529 /nfs/dbraw/zinc/16/55/29/554165529.db2.gz HCQSQECNMUBLES-IRRGGTJQSA-N 1 0 523.674 4.107 50 0 KIAARO COc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3ccc(C(=O)NCC[NH+](C)C)cc3)c2=O)cc1 ZINC000036070597 554167293 /nfs/dbraw/zinc/16/72/93/554167293.db2.gz UYTIVTSQHFXFEB-UHFFFAOYSA-N 1 0 529.597 4.077 50 0 KIAARO COc1ccc(Oc2cnn(-c3ccc(C)cc3)c(=O)c2Nc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036070921 554167621 /nfs/dbraw/zinc/16/76/21/554167621.db2.gz FIKKGHMMQHAOQO-UHFFFAOYSA-N 1 0 513.598 4.377 50 0 KIAARO COc1ccc(-n2ncc(Oc3cccc(C)c3)c(Nc3cccc(C(=O)NCC[NH+](C)C)c3)c2=O)cc1 ZINC000036082551 554174732 /nfs/dbraw/zinc/17/47/32/554174732.db2.gz VBINPZDXFRMRFC-UHFFFAOYSA-N 1 0 513.598 4.377 50 0 KIAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)CC(C)C ZINC000036117531 554185349 /nfs/dbraw/zinc/18/53/49/554185349.db2.gz OTFRYPPVZHRHKJ-QHCPKHFHSA-N 1 0 513.704 4.232 50 0 KIAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)CC(C)C ZINC000036117532 554185372 /nfs/dbraw/zinc/18/53/72/554185372.db2.gz OTFRYPPVZHRHKJ-HSZRJFAPSA-N 1 0 513.704 4.232 50 0 KIAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000036117535 554185357 /nfs/dbraw/zinc/18/53/57/554185357.db2.gz ARFQEZHJAUWUQI-RUZDIDTESA-N 1 0 533.694 4.500 50 0 KIAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000036117536 554185366 /nfs/dbraw/zinc/18/53/66/554185366.db2.gz ARFQEZHJAUWUQI-VWLOTQADSA-N 1 0 533.694 4.500 50 0 KIAARO COc1ccccc1OC[C@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC000036122402 554193883 /nfs/dbraw/zinc/19/38/83/554193883.db2.gz YDGTVTOVTIPABH-QFIPXVFZSA-N 1 0 528.719 4.167 50 0 KIAARO COc1ccccc1OC[C@@H]1c2ccsc2CCN1C(=O)CN(CC[NH+]1CCCC1)C(=O)NC(C)(C)C ZINC000036122403 554193757 /nfs/dbraw/zinc/19/37/57/554193757.db2.gz YDGTVTOVTIPABH-JOCHJYFZSA-N 1 0 528.719 4.167 50 0 KIAARO CC(C)(C)NC(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000036123480 554195196 /nfs/dbraw/zinc/19/51/96/554195196.db2.gz PTFNUHRFUZXLLH-QHCPKHFHSA-N 1 0 516.683 4.298 50 0 KIAARO CC(C)(C)NC(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000036123481 554195318 /nfs/dbraw/zinc/19/53/18/554195318.db2.gz PTFNUHRFUZXLLH-HSZRJFAPSA-N 1 0 516.683 4.298 50 0 KIAARO COc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147013 554198155 /nfs/dbraw/zinc/19/81/55/554198155.db2.gz WUEXAOZTKFVTOH-NOZRDPDXSA-N 1 0 504.583 4.167 50 0 KIAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000036147016 554198048 /nfs/dbraw/zinc/19/80/48/554198048.db2.gz WUEXAOZTKFVTOH-ZCYQVOJMSA-N 1 0 504.583 4.167 50 0 KIAARO CCOC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036205994 554201642 /nfs/dbraw/zinc/20/16/42/554201642.db2.gz IWMSVNCGAIVYBJ-LJQANCHMSA-N 1 0 501.649 4.201 50 0 KIAARO CCOC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(OC)c(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036205997 554201629 /nfs/dbraw/zinc/20/16/29/554201629.db2.gz IWMSVNCGAIVYBJ-IBGZPJMESA-N 1 0 501.649 4.201 50 0 KIAARO Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCC[NH+](C)C)c1 ZINC000036217409 554207268 /nfs/dbraw/zinc/20/72/68/554207268.db2.gz WVQOCUQFAGUHDK-ZEQRLZLVSA-N 1 0 506.628 4.049 50 0 KIAARO Cc1cccc(CN2C(=O)O[C@@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NCC[NH+](C)C)c1 ZINC000036217411 554207207 /nfs/dbraw/zinc/20/72/07/554207207.db2.gz WVQOCUQFAGUHDK-RPWUZVMVSA-N 1 0 506.628 4.049 50 0 KIAARO Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@H]2C(=O)NCC[NH+](C)C)c1 ZINC000036217413 554207318 /nfs/dbraw/zinc/20/73/18/554207318.db2.gz WVQOCUQFAGUHDK-BJKOFHAPSA-N 1 0 506.628 4.049 50 0 KIAARO Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)c4cccs4)cc3)[C@@H]2C(=O)NCC[NH+](C)C)c1 ZINC000036217415 554207287 /nfs/dbraw/zinc/20/72/87/554207287.db2.gz WVQOCUQFAGUHDK-DNQXCXABSA-N 1 0 506.628 4.049 50 0 KIAARO Cc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4cccc(C)c4)[C@H]3C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000036217775 554207526 /nfs/dbraw/zinc/20/75/26/554207526.db2.gz ZDIFTJYCMFMVFS-KAYWLYCHSA-N 1 0 514.626 4.296 50 0 KIAARO Cc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4cccc(C)c4)[C@H]3C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000036217777 554207585 /nfs/dbraw/zinc/20/75/85/554207585.db2.gz ZDIFTJYCMFMVFS-SXOMAYOGSA-N 1 0 514.626 4.296 50 0 KIAARO Cc1ccc(C(=O)Nc2ccc([C@H]3OC(=O)N(Cc4cccc(C)c4)[C@@H]3C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000036217778 554207569 /nfs/dbraw/zinc/20/75/69/554207569.db2.gz ZDIFTJYCMFMVFS-RRPNLBNLSA-N 1 0 514.626 4.296 50 0 KIAARO Cc1ccc(C(=O)Nc2ccc([C@@H]3OC(=O)N(Cc4cccc(C)c4)[C@@H]3C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000036217781 554207563 /nfs/dbraw/zinc/20/75/63/554207563.db2.gz ZDIFTJYCMFMVFS-SVBPBHIXSA-N 1 0 514.626 4.296 50 0 KIAARO Cc1ccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccc(F)cc4)[C@H]3C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036218180 554207765 /nfs/dbraw/zinc/20/77/65/554207765.db2.gz OKIWIUNFOLENHS-CLJLJLNGSA-N 1 0 518.589 4.126 50 0 KIAARO Cc1ccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccc(F)cc4)[C@H]3C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036218182 554207747 /nfs/dbraw/zinc/20/77/47/554207747.db2.gz OKIWIUNFOLENHS-FTJBHMTQSA-N 1 0 518.589 4.126 50 0 KIAARO Cc1ccc(C(=O)Nc2cccc([C@H]3OC(=O)N(Cc4ccc(F)cc4)[C@@H]3C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036218184 554207801 /nfs/dbraw/zinc/20/78/01/554207801.db2.gz OKIWIUNFOLENHS-IZZNHLLZSA-N 1 0 518.589 4.126 50 0 KIAARO Cc1ccc(C(=O)Nc2cccc([C@@H]3OC(=O)N(Cc4ccc(F)cc4)[C@@H]3C(=O)NCC[NH+](C)C)c2)cc1 ZINC000036218186 554207718 /nfs/dbraw/zinc/20/77/18/554207718.db2.gz OKIWIUNFOLENHS-UIOOFZCWSA-N 1 0 518.589 4.126 50 0 KIAARO CC[C@@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)CN1CCOCC1 ZINC000036249094 554209906 /nfs/dbraw/zinc/20/99/06/554209906.db2.gz DMNYJWCUXZEXRW-YIXXDRMTSA-N 1 0 504.675 4.198 50 0 KIAARO CC[C@H](C)[N@@H+](Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C[C@H](O)CN1CCOCC1 ZINC000036249095 554210226 /nfs/dbraw/zinc/21/02/26/554210226.db2.gz DMNYJWCUXZEXRW-WNCULLNHSA-N 1 0 504.675 4.198 50 0 KIAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249730 554210129 /nfs/dbraw/zinc/21/01/29/554210129.db2.gz SGHNNCNGZSIGKR-RPBOFIJWSA-N 1 0 525.621 4.047 50 0 KIAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(-c2ccc(F)cc2)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036249731 554210135 /nfs/dbraw/zinc/21/01/35/554210135.db2.gz SGHNNCNGZSIGKR-DQEYMECFSA-N 1 0 525.621 4.047 50 0 KIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036256938 554210866 /nfs/dbraw/zinc/21/08/66/554210866.db2.gz NZBSVQLXLNPCKV-PXDATVDWSA-N 1 0 533.555 4.146 50 0 KIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000036256942 554210827 /nfs/dbraw/zinc/21/08/27/554210827.db2.gz NZBSVQLXLNPCKV-SQJMNOBHSA-N 1 0 533.555 4.146 50 0 KIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@H](O)CN1CCOCC1 ZINC000036304001 554213985 /nfs/dbraw/zinc/21/39/85/554213985.db2.gz UXGRUENYJGTGSG-XMMPIXPASA-N 1 0 514.617 4.402 50 0 KIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@@H](O)CN1CCOCC1 ZINC000036304003 554213779 /nfs/dbraw/zinc/21/37/79/554213779.db2.gz UXGRUENYJGTGSG-DEOSSOPVSA-N 1 0 514.617 4.402 50 0 KIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)CN1CCOCC1)CC1CC1 ZINC000036304294 554214502 /nfs/dbraw/zinc/21/45/02/554214502.db2.gz LHXKMYPVPLCTIM-XMMPIXPASA-N 1 0 512.601 4.156 50 0 KIAARO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)CN1CCOCC1)CC1CC1 ZINC000036304297 554214396 /nfs/dbraw/zinc/21/43/96/554214396.db2.gz LHXKMYPVPLCTIM-DEOSSOPVSA-N 1 0 512.601 4.156 50 0 KIAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305258 554215038 /nfs/dbraw/zinc/21/50/38/554215038.db2.gz SSLQBCQEDXMSER-XMMPIXPASA-N 1 0 511.066 4.438 50 0 KIAARO Cn1nc(-c2ccccc2)c(C[N@H+](C[C@@H](O)CN2CCOCC2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305260 554215429 /nfs/dbraw/zinc/21/54/29/554215429.db2.gz SSLQBCQEDXMSER-DEOSSOPVSA-N 1 0 511.066 4.438 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036309301 554216573 /nfs/dbraw/zinc/21/65/73/554216573.db2.gz POQNMWMWIPHREA-OFVILXPXSA-N 1 0 504.693 4.007 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036309302 554217167 /nfs/dbraw/zinc/21/71/67/554217167.db2.gz POQNMWMWIPHREA-BWKNWUBXSA-N 1 0 504.693 4.007 50 0 KIAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036309755 554217694 /nfs/dbraw/zinc/21/76/94/554217694.db2.gz GKBQNCWOXQEVFM-OFVILXPXSA-N 1 0 516.635 4.273 50 0 KIAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036309757 554217544 /nfs/dbraw/zinc/21/75/44/554217544.db2.gz GKBQNCWOXQEVFM-BWKNWUBXSA-N 1 0 516.635 4.273 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000036309797 554217751 /nfs/dbraw/zinc/21/77/51/554217751.db2.gz HLXWXFBESWLDCV-OFVILXPXSA-N 1 0 516.635 4.275 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036309799 554217674 /nfs/dbraw/zinc/21/76/74/554217674.db2.gz HLXWXFBESWLDCV-BWKNWUBXSA-N 1 0 516.635 4.275 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000036309928 554217801 /nfs/dbraw/zinc/21/78/01/554217801.db2.gz RJFMPNNVDBXCAH-AHWVRZQESA-N 1 0 508.684 4.461 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309931 554217684 /nfs/dbraw/zinc/21/76/84/554217684.db2.gz RJFMPNNVDBXCAH-RSXGOPAZSA-N 1 0 508.684 4.461 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036309987 554217556 /nfs/dbraw/zinc/21/75/56/554217556.db2.gz LXOJYNQVJHHLPT-ZCYQVOJMSA-N 1 0 524.683 4.161 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000036309989 554218053 /nfs/dbraw/zinc/21/80/53/554218053.db2.gz LXOJYNQVJHHLPT-NOZRDPDXSA-N 1 0 524.683 4.161 50 0 KIAARO CC(C)COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310187 554217998 /nfs/dbraw/zinc/21/79/98/554217998.db2.gz DSJPFJDMBRTJES-RDGATRHJSA-N 1 0 504.668 4.138 50 0 KIAARO CC(C)COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1)CC1CC1 ZINC000036310189 554218127 /nfs/dbraw/zinc/21/81/27/554218127.db2.gz DSJPFJDMBRTJES-DHLKQENFSA-N 1 0 504.668 4.138 50 0 KIAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313400 554218766 /nfs/dbraw/zinc/21/87/66/554218766.db2.gz IFXSNTKCMZRWRX-PKTZIBPZSA-N 1 0 525.621 4.047 50 0 KIAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@@H]1CCCO1 ZINC000036313401 554218915 /nfs/dbraw/zinc/21/89/15/554218915.db2.gz IFXSNTKCMZRWRX-GOTSBHOMSA-N 1 0 525.621 4.047 50 0 KIAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036316586 554219647 /nfs/dbraw/zinc/21/96/47/554219647.db2.gz HIMYPJSEHPVYQQ-SANMLTNESA-N 1 0 504.675 4.097 50 0 KIAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036316587 554219487 /nfs/dbraw/zinc/21/94/87/554219487.db2.gz HIMYPJSEHPVYQQ-AREMUKBSSA-N 1 0 504.675 4.097 50 0 KIAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340038 554219858 /nfs/dbraw/zinc/21/98/58/554219858.db2.gz IBEAHVOXLIFMKR-MHZLTWQESA-N 1 0 518.702 4.345 50 0 KIAARO COCc1nc(-c2ccccc2)nc(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)c1Cc1ccc(C)cc1 ZINC000036340040 554219947 /nfs/dbraw/zinc/21/99/47/554219947.db2.gz IBEAHVOXLIFMKR-HHHXNRCGSA-N 1 0 518.702 4.345 50 0 KIAARO CCCCOC[C@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340073 554219887 /nfs/dbraw/zinc/21/98/87/554219887.db2.gz CWAHKPOUKYFPDP-HHHXNRCGSA-N 1 0 518.702 4.489 50 0 KIAARO CCCCOC[C@@H](O)C[NH+]1CCN(c2nc(-c3ccccc3)nc(COC)c2Cc2ccc(C)cc2)CC1 ZINC000036340075 554219797 /nfs/dbraw/zinc/21/97/97/554219797.db2.gz CWAHKPOUKYFPDP-MHZLTWQESA-N 1 0 518.702 4.489 50 0 KIAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@H](O)CN3CCOCC3)c(C)nn2-c2ccccc2)c1 ZINC000036341980 554221100 /nfs/dbraw/zinc/22/11/00/554221100.db2.gz KDNNTZMKHLCQOE-RUZDIDTESA-N 1 0 508.663 4.133 50 0 KIAARO COc1cccc(Oc2c(C[N@H+](CC(C)C)C[C@@H](O)CN3CCOCC3)c(C)nn2-c2ccccc2)c1 ZINC000036341981 554221295 /nfs/dbraw/zinc/22/12/95/554221295.db2.gz KDNNTZMKHLCQOE-VWLOTQADSA-N 1 0 508.663 4.133 50 0 KIAARO CC[C@@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036341994 554221200 /nfs/dbraw/zinc/22/12/00/554221200.db2.gz ACXDRPGALHLUCP-RCZVLFRGSA-N 1 0 508.663 4.275 50 0 KIAARO CC[C@H](C)[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(OC)c1)C[C@H](O)CN1CCOCC1 ZINC000036341995 554221180 /nfs/dbraw/zinc/22/11/80/554221180.db2.gz ACXDRPGALHLUCP-WIOPSUGQSA-N 1 0 508.663 4.275 50 0 KIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000037006610 554230792 /nfs/dbraw/zinc/23/07/92/554230792.db2.gz SSUMQGHCOWKZDT-WPHQEQLXSA-N 1 0 530.669 4.269 50 0 KIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1 ZINC000037006615 554230763 /nfs/dbraw/zinc/23/07/63/554230763.db2.gz SSUMQGHCOWKZDT-ZGPNTQEDSA-N 1 0 530.669 4.269 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)c1 ZINC000037263954 554231467 /nfs/dbraw/zinc/23/14/67/554231467.db2.gz ZPQQTHVUEUNXME-DEOSSOPVSA-N 1 0 525.744 4.387 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)c1 ZINC000037263955 554231533 /nfs/dbraw/zinc/23/15/33/554231533.db2.gz ZPQQTHVUEUNXME-XMMPIXPASA-N 1 0 525.744 4.387 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccsc2)cc1 ZINC000037263994 554231745 /nfs/dbraw/zinc/23/17/45/554231745.db2.gz CTKYTFMZDRWFKF-DEOSSOPVSA-N 1 0 525.744 4.387 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccsc2)cc1 ZINC000037263995 554231763 /nfs/dbraw/zinc/23/17/63/554231763.db2.gz CTKYTFMZDRWFKF-XMMPIXPASA-N 1 0 525.744 4.387 50 0 KIAARO Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]2c1ccsc1 ZINC000037264026 554231780 /nfs/dbraw/zinc/23/17/80/554231780.db2.gz YUEOCVQDWLFPNS-DEOSSOPVSA-N 1 0 525.744 4.387 50 0 KIAARO Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]2c1ccsc1 ZINC000037264027 554231891 /nfs/dbraw/zinc/23/18/91/554231891.db2.gz YUEOCVQDWLFPNS-XMMPIXPASA-N 1 0 525.744 4.387 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@@H](c2cccs2)SCC1=O ZINC000037264166 554232718 /nfs/dbraw/zinc/23/27/18/554232718.db2.gz DLCNUTGSIAMSSH-HSZRJFAPSA-N 1 0 529.707 4.217 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2cccc(F)c2)[C@H](c2cccs2)SCC1=O ZINC000037264167 554232732 /nfs/dbraw/zinc/23/27/32/554232732.db2.gz DLCNUTGSIAMSSH-QHCPKHFHSA-N 1 0 529.707 4.217 50 0 KIAARO O=C(Cc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037277355 554233356 /nfs/dbraw/zinc/23/33/56/554233356.db2.gz MNJJLVCEDMAWHI-UHFFFAOYSA-N 1 0 502.703 4.495 50 0 KIAARO COc1ccc(-c2nc(N3CC[NH+](C(C)C)CC3)nc3nn(-c4ccc(Cl)cc4)c(N)c32)cc1OC ZINC000037358513 554235033 /nfs/dbraw/zinc/23/50/33/554235033.db2.gz KTLJMUIPEQPKAN-UHFFFAOYSA-N 1 0 508.026 4.266 50 0 KIAARO COc1ccccc1-c1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2nn(Cc3ccccc3)c(N)c21 ZINC000037359332 554235130 /nfs/dbraw/zinc/23/51/30/554235130.db2.gz QKJNUYDNRDXTHR-UHFFFAOYSA-N 1 0 505.626 4.455 50 0 KIAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CCOc3ccccc3)CC1)nc2-c1cccc(F)c1 ZINC000037359712 554235053 /nfs/dbraw/zinc/23/50/53/554235053.db2.gz ZMMSJAFATJDIBN-UHFFFAOYSA-N 1 0 523.616 4.464 50 0 KIAARO Cn1nc2nc(N3CCN(CC[NH+]4CCCCC4)CC3)nc(-c3cccc(Oc4ccccc4)c3)c2c1N ZINC000037375641 554234988 /nfs/dbraw/zinc/23/49/88/554234988.db2.gz DNGSLEAVHLJVMJ-UHFFFAOYSA-N 1 0 512.662 4.013 50 0 KIAARO COCC[NH+]1CCN(c2nc3nn(-c4ccccc4Cl)c(N)c3c(-c3ccc(F)c(Cl)c3)n2)CC1 ZINC000037377473 554235644 /nfs/dbraw/zinc/23/56/44/554235644.db2.gz OSNQIWJYSYABCX-UHFFFAOYSA-N 1 0 516.408 4.279 50 0 KIAARO COc1ccc(S(=O)(=O)Oc2ccc(CN(CC[NH+](C)C)C(=O)Nc3ccccc3OC)cc2)cc1 ZINC000037401370 554242187 /nfs/dbraw/zinc/24/21/87/554242187.db2.gz ZTNGIKMDZWVTLD-UHFFFAOYSA-N 1 0 513.616 4.067 50 0 KIAARO Cc1cccc(CO[C@@]2(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3c(F)cccc3F)C2)c1 ZINC000037403099 554242436 /nfs/dbraw/zinc/24/24/36/554242436.db2.gz RGLCTERIOABIGC-NANFOGFDSA-N 1 0 532.628 4.106 50 0 KIAARO Cc1cccc(CO[C@@]2(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3c(F)cccc3F)C2)c1 ZINC000037403103 554242478 /nfs/dbraw/zinc/24/24/78/554242478.db2.gz RGLCTERIOABIGC-XWDJFTLGSA-N 1 0 532.628 4.106 50 0 KIAARO Cc1cccc(CO[C@@]2(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@H]3[C@H](OCc3cccc(F)c3F)C2)c1 ZINC000037421119 554242907 /nfs/dbraw/zinc/24/29/07/554242907.db2.gz CREDEHYLKGYSHX-MTJPYFAZSA-N 1 0 532.628 4.106 50 0 KIAARO Cc1cccc(CO[C@@]2(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@H]3[C@@H](OCc3cccc(F)c3F)C2)c1 ZINC000037421122 554242919 /nfs/dbraw/zinc/24/29/19/554242919.db2.gz CREDEHYLKGYSHX-OXMFQOBNSA-N 1 0 532.628 4.106 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000037424905 554244368 /nfs/dbraw/zinc/24/43/68/554244368.db2.gz JXIAVQWRZRHAJA-DEOSSOPVSA-N 1 0 525.744 4.387 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000037424908 554244436 /nfs/dbraw/zinc/24/44/36/554244436.db2.gz JXIAVQWRZRHAJA-XMMPIXPASA-N 1 0 525.744 4.387 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cccs2)SCC1=O ZINC000037425954 554245751 /nfs/dbraw/zinc/24/57/51/554245751.db2.gz GRKIOSZJEJHWGT-HSZRJFAPSA-N 1 0 529.707 4.217 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cccs2)SCC1=O ZINC000037425955 554245817 /nfs/dbraw/zinc/24/58/17/554245817.db2.gz GRKIOSZJEJHWGT-QHCPKHFHSA-N 1 0 529.707 4.217 50 0 KIAARO Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1C ZINC000037427838 554247109 /nfs/dbraw/zinc/24/71/09/554247109.db2.gz TVXLDHQGTWSLTL-KRUMMXJUSA-N 1 0 504.578 4.266 50 0 KIAARO Cc1s/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1C ZINC000037427846 554247333 /nfs/dbraw/zinc/24/73/33/554247333.db2.gz ZMRKMCXJTASPKG-KRUMMXJUSA-N 1 0 504.578 4.266 50 0 KIAARO CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCC[NH+](CC)CC)o2)C(=O)CO3)c1 ZINC000037511273 554249588 /nfs/dbraw/zinc/24/95/88/554249588.db2.gz CWRFPDPKGFNSCV-UHFFFAOYSA-N 1 0 533.625 4.101 50 0 KIAARO CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(C(F)(F)F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000037524318 554250390 /nfs/dbraw/zinc/25/03/90/554250390.db2.gz VAKSKRBEGIQTAP-UHFFFAOYSA-N 1 0 502.581 4.270 50 0 KIAARO O=C(NC1CCN(c2ccccc2C(=O)NCC[NH+]2CCCCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000037524876 554250424 /nfs/dbraw/zinc/25/04/24/554250424.db2.gz SKRCOSGUTXDRSI-UHFFFAOYSA-N 1 0 502.581 4.320 50 0 KIAARO O=C(COc1ccccc1)NC1CCN(c2ccccc2C(=O)N2CC[NH+](C3CCCCCC3)CC2)CC1 ZINC000037525655 554250551 /nfs/dbraw/zinc/25/05/51/554250551.db2.gz OXPKRLKWRFRPJK-UHFFFAOYSA-N 1 0 518.702 4.331 50 0 KIAARO O=C(c1ccccc1N1CCC(NC(=S)Nc2ccc(F)cc2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000037526272 554250618 /nfs/dbraw/zinc/25/06/18/554250618.db2.gz SDVNJJOALVOVGP-UHFFFAOYSA-N 1 0 509.695 4.482 50 0 KIAARO Cc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C(=O)N3CC[NH+](C4CCCCCC4)CC3)CC2)cc1 ZINC000037526282 554250603 /nfs/dbraw/zinc/25/06/03/554250603.db2.gz HLPSGDXQPHGNTI-UHFFFAOYSA-N 1 0 538.758 4.423 50 0 KIAARO Cc1ccc([C@@H]2c3cc(OCc4nc(C(=O)NCC[NH+]5CCCC5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037604821 554256194 /nfs/dbraw/zinc/25/61/94/554256194.db2.gz SUICZEXEPWGEEZ-GDLZYMKVSA-N 1 0 528.653 4.272 50 0 KIAARO Cc1ccc([C@H]2c3cc(OCc4nc(C(=O)NCC[NH+]5CCCC5)co4)ccc3CCN2C(=O)C2CC2)cc1 ZINC000037604822 554256223 /nfs/dbraw/zinc/25/62/23/554256223.db2.gz SUICZEXEPWGEEZ-LJAQVGFWSA-N 1 0 528.653 4.272 50 0 KIAARO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+](C)C)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000037604831 554256288 /nfs/dbraw/zinc/25/62/88/554256288.db2.gz BOOGZCUHWIYNHZ-MHZLTWQESA-N 1 0 507.606 4.419 50 0 KIAARO CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCC[NH+](C)C)o3)cc2[C@H]1c1cccc(F)c1 ZINC000037604832 554256275 /nfs/dbraw/zinc/25/62/75/554256275.db2.gz BOOGZCUHWIYNHZ-HHHXNRCGSA-N 1 0 507.606 4.419 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000038139087 554258970 /nfs/dbraw/zinc/25/89/70/554258970.db2.gz QQRBPDUMQBARQN-SFHVURJKSA-N 1 0 563.742 4.136 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000038139088 554258959 /nfs/dbraw/zinc/25/89/59/554258959.db2.gz QQRBPDUMQBARQN-GOSISDBHSA-N 1 0 563.742 4.136 50 0 KIAARO Cc1cc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)nc2c(C)c1 ZINC000038139097 554258845 /nfs/dbraw/zinc/25/88/45/554258845.db2.gz NBKOAJBFQALASJ-OYRHEFFESA-N 1 0 544.743 4.310 50 0 KIAARO Cc1cc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)nc2c(C)c1 ZINC000038139098 554258939 /nfs/dbraw/zinc/25/89/39/554258939.db2.gz NBKOAJBFQALASJ-NHCUHLMSSA-N 1 0 544.743 4.310 50 0 KIAARO Cc1cc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc2c(C)c1 ZINC000038139099 554258861 /nfs/dbraw/zinc/25/88/61/554258861.db2.gz NBKOAJBFQALASJ-SFTDATJTSA-N 1 0 544.743 4.310 50 0 KIAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038139119 554259022 /nfs/dbraw/zinc/25/90/22/554259022.db2.gz SEMSEZJKYUWFOL-GOSISDBHSA-N 1 0 544.699 4.187 50 0 KIAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038139120 554259010 /nfs/dbraw/zinc/25/90/10/554259010.db2.gz SEMSEZJKYUWFOL-SFHVURJKSA-N 1 0 544.699 4.187 50 0 KIAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4ccc(Cl)cc4s3)cc2)CC1 ZINC000038139128 554259141 /nfs/dbraw/zinc/25/91/41/554259141.db2.gz LJLPKYMRVKMVQN-UHFFFAOYSA-N 1 0 594.159 4.011 50 0 KIAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000038139133 554259361 /nfs/dbraw/zinc/25/93/61/554259361.db2.gz XTUPHGRMYCUOJU-UHFFFAOYSA-N 1 0 558.726 4.231 50 0 KIAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000038139137 554259347 /nfs/dbraw/zinc/25/93/47/554259347.db2.gz RVLKYJWQBMWNFF-HDICACEKSA-N 1 0 551.134 4.346 50 0 KIAARO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@H](C)O1 ZINC000038139138 554259424 /nfs/dbraw/zinc/25/94/24/554259424.db2.gz RVLKYJWQBMWNFF-ROUUACIJSA-N 1 0 551.134 4.346 50 0 KIAARO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4c(cccc4Cl)s3)cc2)C[C@@H](C)O1 ZINC000038139139 554259397 /nfs/dbraw/zinc/25/93/97/554259397.db2.gz RVLKYJWQBMWNFF-QZTJIDSGSA-N 1 0 551.134 4.346 50 0 KIAARO CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038139140 554259340 /nfs/dbraw/zinc/25/93/40/554259340.db2.gz VKMRRUWBTJCRHK-UHFFFAOYSA-N 1 0 566.705 4.444 50 0 KIAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000038139151 554259328 /nfs/dbraw/zinc/25/93/28/554259328.db2.gz IXBJJZUFXKRYAE-UHFFFAOYSA-N 1 0 551.532 4.442 50 0 KIAARO CC(C)C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O ZINC000038140054 554262560 /nfs/dbraw/zinc/26/25/60/554262560.db2.gz XGKZEFLNVMYMQZ-UCGGBYDDSA-N 1 0 541.696 4.399 50 0 biogenic KIAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000038140298 554262875 /nfs/dbraw/zinc/26/28/75/554262875.db2.gz AQNXYEYJVUWVBT-UHFFFAOYSA-N 1 0 539.529 4.491 50 0 KIAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038140471 554263869 /nfs/dbraw/zinc/26/38/69/554263869.db2.gz YRENCYSKNXJWAU-UHFFFAOYSA-N 1 0 539.529 4.491 50 0 KIAARO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1OCC)C(C)(C)[NH2+]C(C)(C)C2 ZINC000038140769 554264152 /nfs/dbraw/zinc/26/41/52/554264152.db2.gz RPEUIPUAHNPTTQ-UHFFFAOYSA-N 1 0 544.703 4.189 50 0 KIAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)nc21 ZINC000038144534 554265915 /nfs/dbraw/zinc/26/59/15/554265915.db2.gz PYFPYWOQVITDGP-NRFANRHFSA-N 1 0 560.742 4.093 50 0 KIAARO CCOc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)nc21 ZINC000038144535 554265912 /nfs/dbraw/zinc/26/59/12/554265912.db2.gz PYFPYWOQVITDGP-OAQYLSRUSA-N 1 0 560.742 4.093 50 0 KIAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](CC)CC)c3nc4c(cccc4C)s3)cc2)CC1 ZINC000038144541 554266124 /nfs/dbraw/zinc/26/61/24/554266124.db2.gz DCMQUSCPKACCPE-UHFFFAOYSA-N 1 0 587.768 4.056 50 0 KIAARO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000038144551 554266082 /nfs/dbraw/zinc/26/60/82/554266082.db2.gz LRIOWIZGCOYAIF-UHFFFAOYSA-N 1 0 538.651 4.059 50 0 KIAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000038144552 554266139 /nfs/dbraw/zinc/26/61/39/554266139.db2.gz UEZYHYZYFREBHX-UHFFFAOYSA-N 1 0 537.505 4.052 50 0 KIAARO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](CC)CC)c3nc4ccc(C)cc4s3)cc2)CC1 ZINC000038144553 554266179 /nfs/dbraw/zinc/26/61/79/554266179.db2.gz QVCZXZVCJXWQJO-UHFFFAOYSA-N 1 0 587.768 4.056 50 0 KIAARO CCn1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000038146793 554269894 /nfs/dbraw/zinc/26/98/94/554269894.db2.gz QTDCNYXUXCZJJR-SZPZYZBQSA-N 1 0 544.762 4.072 50 0 KIAARO CCn1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000038146794 554269940 /nfs/dbraw/zinc/26/99/40/554269940.db2.gz QTDCNYXUXCZJJR-VXKWHMMOSA-N 1 0 544.762 4.072 50 0 KIAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)CC1 ZINC000038150043 554271275 /nfs/dbraw/zinc/27/12/75/554271275.db2.gz VIUKNCRVZDGUCT-KXQOOQHDSA-N 1 0 551.112 4.034 50 0 KIAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)CC1 ZINC000038150044 554271162 /nfs/dbraw/zinc/27/11/62/554271162.db2.gz VIUKNCRVZDGUCT-LHEWISCISA-N 1 0 551.112 4.034 50 0 KIAARO CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000038152212 554272298 /nfs/dbraw/zinc/27/22/98/554272298.db2.gz LBBMXZNBFBXUDL-MDWZMJQESA-N 1 0 548.656 4.256 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 ZINC000038152344 554272521 /nfs/dbraw/zinc/27/25/21/554272521.db2.gz NPKUTLKNERAJAY-NRFANRHFSA-N 1 0 534.682 4.150 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)cc1 ZINC000038152345 554272511 /nfs/dbraw/zinc/27/25/11/554272511.db2.gz NPKUTLKNERAJAY-OAQYLSRUSA-N 1 0 534.682 4.150 50 0 KIAARO COc1ccc([C@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000038152359 554272563 /nfs/dbraw/zinc/27/25/63/554272563.db2.gz MCOOYONNVNRHBQ-QHCPKHFHSA-N 1 0 532.460 4.291 50 0 KIAARO COc1ccc([C@@H](CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000038152360 554272540 /nfs/dbraw/zinc/27/25/40/554272540.db2.gz MCOOYONNVNRHBQ-HSZRJFAPSA-N 1 0 532.460 4.291 50 0 KIAARO Cc1ccc(N2CC[NH+](CCc3nc4cc(NS(=O)(=O)c5ccc(F)cc5)ccc4n3C)CC2)cc1 ZINC000038696607 554275449 /nfs/dbraw/zinc/27/54/49/554275449.db2.gz CAIKCPDUBXJVLV-UHFFFAOYSA-N 1 0 507.635 4.186 50 0 KIAARO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](CCOc3ccccc3)CC1)nc2-c1ccccc1F ZINC000044854584 554305579 /nfs/dbraw/zinc/30/55/79/554305579.db2.gz YUJKGFPRARARFL-UHFFFAOYSA-N 1 0 523.616 4.464 50 0 KIAARO CN1CCC([NH2+][C@@H]2C[C@@H](C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)N(Cc3ccccc3Cl)C2)CC1 ZINC000049722896 562672653 /nfs/dbraw/zinc/67/26/53/562672653.db2.gz IOTUYZQLOOYWHP-SQHAQQRYSA-N 1 0 564.096 4.334 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)NC(=[NH2+])N[C@@H]1c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1 ZINC000053392351 554348726 /nfs/dbraw/zinc/34/87/26/554348726.db2.gz RMDNUEVCXVBIPO-AREMUKBSSA-N 1 0 535.000 4.300 50 0 KIAARO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)N(C/C(Cl)=C/c3ccccc3)C2)n1 ZINC000055041963 554349795 /nfs/dbraw/zinc/34/97/95/554349795.db2.gz IWOCVKNFZWSUAC-ZYBMPSBHSA-N 1 0 500.112 4.072 50 0 KIAARO Cc1ccc(CN2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc1 ZINC000055060545 554349865 /nfs/dbraw/zinc/34/98/65/554349865.db2.gz ISHXKMJPIQYPOD-IMQGOQPSSA-N 1 0 531.770 4.489 50 0 KIAARO C[N@@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000057122024 554352797 /nfs/dbraw/zinc/35/27/97/554352797.db2.gz MPKAMOVOVCXYNH-DEOSSOPVSA-N 1 0 500.986 4.203 50 0 KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cccc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000057122029 554352733 /nfs/dbraw/zinc/35/27/33/554352733.db2.gz GPMILASLXAYRTN-KDLQGFRMSA-N 1 0 507.590 4.408 50 0 biogenic KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cc(C)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000057128766 554352647 /nfs/dbraw/zinc/35/26/47/554352647.db2.gz TXAPGBAUFDPOSG-CBVMVLCFSA-N 1 0 507.590 4.408 50 0 biogenic KIAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000057222802 554353086 /nfs/dbraw/zinc/35/30/86/554353086.db2.gz QQIPLLLOPUGVMA-UHFFFAOYSA-N 1 0 519.598 4.074 50 0 KIAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2c(OC)cccc2OC)c1 ZINC000057222966 554353119 /nfs/dbraw/zinc/35/31/19/554353119.db2.gz CTNDFOJVTSAADG-UHFFFAOYSA-N 1 0 503.599 4.455 50 0 KIAARO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)COc2ccc(OC)cc2)c1 ZINC000057223012 554353066 /nfs/dbraw/zinc/35/30/66/554353066.db2.gz IGVFVERBGPMGNI-UHFFFAOYSA-N 1 0 503.599 4.212 50 0 KIAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000057233534 554353384 /nfs/dbraw/zinc/35/33/84/554353384.db2.gz UKDFLIHYCWMOCX-UHFFFAOYSA-N 1 0 502.640 4.231 50 0 KIAARO COc1cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc(OC)c1OC ZINC000057256222 554353390 /nfs/dbraw/zinc/35/33/90/554353390.db2.gz HJLAPUWJWZYOJB-UHFFFAOYSA-N 1 0 520.655 4.161 50 0 KIAARO Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(F)cc4)CC2)n3C)c1 ZINC000057264477 554353433 /nfs/dbraw/zinc/35/34/33/554353433.db2.gz SUFKPSAYHWGIPN-UHFFFAOYSA-N 1 0 501.606 4.403 50 0 KIAARO Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(F)cc4)CC2)n3C)cc1 ZINC000057264478 554353475 /nfs/dbraw/zinc/35/34/75/554353475.db2.gz SVQWYTUDGZELBI-UHFFFAOYSA-N 1 0 501.606 4.403 50 0 KIAARO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(c4ccc(F)cc4)CC2)n3C)cc1 ZINC000057264482 554353416 /nfs/dbraw/zinc/35/34/16/554353416.db2.gz CKXKOLQZMIOPAS-UHFFFAOYSA-N 1 0 517.605 4.103 50 0 KIAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C[C@@]21O ZINC000059410302 193896691 /nfs/dbraw/zinc/89/66/91/193896691.db2.gz VTZRNFGNLKRMNG-MWRVFVKCSA-N 1 0 510.597 4.105 50 0 biogenic KIAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C[C@]21O ZINC000059410306 554393499 /nfs/dbraw/zinc/39/34/99/554393499.db2.gz VTZRNFGNLKRMNG-WLQIYCTRSA-N 1 0 510.597 4.105 50 0 biogenic KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccccc2OC)[C@@]12c1ccccc1NC2=O ZINC000059485880 554398127 /nfs/dbraw/zinc/39/81/27/554398127.db2.gz FGPMHVIIECBBJC-CBVMVLCFSA-N 1 0 507.590 4.272 50 0 biogenic KIAARO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4ccccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487372 554398109 /nfs/dbraw/zinc/39/81/09/554398109.db2.gz GCRJVSFFGWCWGD-GLKSXAEWSA-N 1 0 507.590 4.490 50 0 biogenic KIAARO COc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000059487373 554398216 /nfs/dbraw/zinc/39/82/16/554398216.db2.gz ASTZMCSPNGKYIN-NZWZHHCMSA-N 1 0 507.590 4.327 50 0 biogenic KIAARO C[NH+]1CCN(CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000059515132 554402484 /nfs/dbraw/zinc/40/24/84/554402484.db2.gz IKKDPHXMIMKVJC-JOCHJYFZSA-N 1 0 578.964 4.071 50 0 KIAARO C[NH+]1CCN(CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000059515133 554402524 /nfs/dbraw/zinc/40/25/24/554402524.db2.gz IKKDPHXMIMKVJC-QFIPXVFZSA-N 1 0 578.964 4.071 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000059515229 554403042 /nfs/dbraw/zinc/40/30/42/554403042.db2.gz PJBGNSABZRLACB-LOYHVIPDSA-N 1 0 537.664 4.486 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000059515230 554403046 /nfs/dbraw/zinc/40/30/46/554403046.db2.gz PJBGNSABZRLACB-XZWHSSHBSA-N 1 0 537.664 4.486 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000059515231 554403053 /nfs/dbraw/zinc/40/30/53/554403053.db2.gz PJBGNSABZRLACB-IHLOFXLRSA-N 1 0 537.664 4.486 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000059515232 554403055 /nfs/dbraw/zinc/40/30/55/554403055.db2.gz PJBGNSABZRLACB-KYJUHHDHSA-N 1 0 537.664 4.486 50 0 KIAARO Cn1c2ccccc2cc1[C@@H]1[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2C(=O)N1C ZINC000059523187 554404657 /nfs/dbraw/zinc/40/46/57/554404657.db2.gz XYSLURXUBNVZJC-ROJLCIKYSA-N 1 0 549.719 4.413 50 0 KIAARO Cn1c([C@H]2[C@H](C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc2ccccc21 ZINC000059523191 554404609 /nfs/dbraw/zinc/40/46/09/554404609.db2.gz XYSLURXUBNVZJC-ZWXJPIIXSA-N 1 0 549.719 4.413 50 0 KIAARO Cn1c([C@@H]2[C@@H](C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc2ccccc21 ZINC000059523194 554404515 /nfs/dbraw/zinc/40/45/15/554404515.db2.gz XYSLURXUBNVZJC-AJQTZOPKSA-N 1 0 549.719 4.413 50 0 KIAARO Cn1c([C@H]2[C@@H](C(=O)NCCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2C)cc2ccccc21 ZINC000059523198 554404525 /nfs/dbraw/zinc/40/45/25/554404525.db2.gz XYSLURXUBNVZJC-ACHIHNKUSA-N 1 0 549.719 4.413 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059530947 554406867 /nfs/dbraw/zinc/40/68/67/554406867.db2.gz NWBMPAJGLTUFOC-FIRIVFDPSA-N 1 0 551.691 4.496 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059530948 554406850 /nfs/dbraw/zinc/40/68/50/554406850.db2.gz NWBMPAJGLTUFOC-JSOSNVBQSA-N 1 0 551.691 4.496 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059530949 554406906 /nfs/dbraw/zinc/40/69/06/554406906.db2.gz NWBMPAJGLTUFOC-IOWSJCHKSA-N 1 0 551.691 4.496 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CC[NH+](C)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059530950 554406888 /nfs/dbraw/zinc/40/68/88/554406888.db2.gz NWBMPAJGLTUFOC-CONSDPRKSA-N 1 0 551.691 4.496 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5N(CC(=O)Nc5ccc(C)cc5)C4=O)[C@H]3C2=O)cc1 ZINC000059587134 554407717 /nfs/dbraw/zinc/40/77/17/554407717.db2.gz XGPUBBOSRCBOTK-KRKRULMMSA-N 1 0 566.658 4.008 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5N(CC(=O)Nc5ccc(C)cc5)C4=O)[C@H]3C2=O)cc1 ZINC000059587142 554407692 /nfs/dbraw/zinc/40/76/92/554407692.db2.gz XGPUBBOSRCBOTK-RQWQZFOUSA-N 1 0 566.658 4.008 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CCSC)[NH2+][C@]32c3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000059587214 554407703 /nfs/dbraw/zinc/40/77/03/554407703.db2.gz QXDXCFYVNWKEGW-LFNVBFKESA-N 1 0 545.636 4.107 50 0 KIAARO Cc1onc(-c2ccccc2)c1C(=O)NCCCN1CC[NH+](CCCNC(=O)c2c(C)onc2-c2ccccc2)CC1 ZINC000059829445 554432706 /nfs/dbraw/zinc/43/27/06/554432706.db2.gz VXMVZTCILQMHHY-UHFFFAOYSA-N 1 0 570.694 4.171 50 0 KIAARO C[NH+](C)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2ccc(Br)cc2s1 ZINC000060209315 554503031 /nfs/dbraw/zinc/50/30/31/554503031.db2.gz NQRDOKLPQBEFHB-UHFFFAOYSA-N 1 0 551.532 4.442 50 0 KIAARO CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000060209353 554502989 /nfs/dbraw/zinc/50/29/89/554502989.db2.gz BNLMGXOIMPSKPY-IBGZPJMESA-N 1 0 581.558 4.067 50 0 KIAARO CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1 ZINC000060209354 554503174 /nfs/dbraw/zinc/50/31/74/554503174.db2.gz BNLMGXOIMPSKPY-LJQANCHMSA-N 1 0 581.558 4.067 50 0 KIAARO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3cc4c(cc3s2)OCO4)cc1 ZINC000060209461 554503321 /nfs/dbraw/zinc/50/33/21/554503321.db2.gz GYDVJLBSDFWVND-UHFFFAOYSA-N 1 0 552.678 4.449 50 0 KIAARO COc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2cc1OC ZINC000060209518 554503372 /nfs/dbraw/zinc/50/33/72/554503372.db2.gz MLAUCIAMCLLPIZ-UHFFFAOYSA-N 1 0 560.742 4.475 50 0 KIAARO COc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)sc2cc1OC ZINC000060209519 554503327 /nfs/dbraw/zinc/50/33/27/554503327.db2.gz RPJSXHDVZZSSNM-UHFFFAOYSA-N 1 0 568.721 4.343 50 0 KIAARO COc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)nc2c1 ZINC000060209539 554503297 /nfs/dbraw/zinc/50/32/97/554503297.db2.gz MCDABPSXWHXBRL-UHFFFAOYSA-N 1 0 536.679 4.265 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209745 554503762 /nfs/dbraw/zinc/50/37/62/554503762.db2.gz UMLKHBJGXURPJR-KDURUIRLSA-N 1 0 548.706 4.222 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209746 554503718 /nfs/dbraw/zinc/50/37/18/554503718.db2.gz UMLKHBJGXURPJR-RTBURBONSA-N 1 0 548.706 4.222 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1nc2ccc(F)cc2s1 ZINC000060209747 554503754 /nfs/dbraw/zinc/50/37/54/554503754.db2.gz UMLKHBJGXURPJR-OALUTQOASA-N 1 0 548.706 4.222 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209908 554503784 /nfs/dbraw/zinc/50/37/84/554503784.db2.gz IBMKDAPOYPWHHG-BGYRXZFFSA-N 1 0 560.742 4.091 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209909 554503745 /nfs/dbraw/zinc/50/37/45/554503745.db2.gz IBMKDAPOYPWHHG-WOJBJXKFSA-N 1 0 560.742 4.091 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)c1nc2c(cccc2OC)s1 ZINC000060209910 554503831 /nfs/dbraw/zinc/50/38/31/554503831.db2.gz IBMKDAPOYPWHHG-PMACEKPBSA-N 1 0 560.742 4.091 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210048 554504136 /nfs/dbraw/zinc/50/41/36/554504136.db2.gz CRHUDRHOBYIJLY-UHFFFAOYSA-N 1 0 558.726 4.434 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210049 554504155 /nfs/dbraw/zinc/50/41/55/554504155.db2.gz CJRHSMLZWQCBJU-IBGZPJMESA-N 1 0 558.726 4.434 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060210050 554504037 /nfs/dbraw/zinc/50/40/37/554504037.db2.gz CJRHSMLZWQCBJU-LJQANCHMSA-N 1 0 558.726 4.434 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210069 554503935 /nfs/dbraw/zinc/50/39/35/554503935.db2.gz ZFBMUBMKAVTYIW-UHFFFAOYSA-N 1 0 558.726 4.231 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210087 554504117 /nfs/dbraw/zinc/50/41/17/554504117.db2.gz ZWHPXZPBQDRKPN-UHFFFAOYSA-N 1 0 572.753 4.477 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210088 554504058 /nfs/dbraw/zinc/50/40/58/554504058.db2.gz VFZUQAJMWJJGCG-FQEVSTJZSA-N 1 0 572.753 4.477 50 0 KIAARO CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000060210089 554504017 /nfs/dbraw/zinc/50/40/17/554504017.db2.gz VFZUQAJMWJJGCG-HXUWFJFHSA-N 1 0 572.753 4.477 50 0 KIAARO C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000060232297 554504413 /nfs/dbraw/zinc/50/44/13/554504413.db2.gz LPIODECEWNVLLX-UHFFFAOYSA-N 1 0 544.699 4.188 50 0 KIAARO CC1CCN(S(=O)(=O)c2ccc(C(=O)N(CCC[NH+](C)C)c3nc4cc5c(cc4s3)OCO5)cc2)CC1 ZINC000060232347 554504446 /nfs/dbraw/zinc/50/44/46/554504446.db2.gz FONYYUDDVSDNKJ-UHFFFAOYSA-N 1 0 544.699 4.044 50 0 KIAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C[C@]21O ZINC000061996972 554506123 /nfs/dbraw/zinc/50/61/23/554506123.db2.gz VTZRNFGNLKRMNG-DILCGNMASA-N 1 0 510.597 4.105 50 0 biogenic KIAARO CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5cccc(C(F)(F)F)c5)CC4)[C@H]3C[C@@]21O ZINC000061996973 554506105 /nfs/dbraw/zinc/50/61/05/554506105.db2.gz VTZRNFGNLKRMNG-MPHOMUCDSA-N 1 0 510.597 4.105 50 0 biogenic KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)cc2)[C@@]12c1ccccc1NC2=O ZINC000061997753 554506095 /nfs/dbraw/zinc/50/60/95/554506095.db2.gz NMUVGINWDKQGNT-GLKSXAEWSA-N 1 0 507.590 4.272 50 0 biogenic KIAARO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000061997767 554506084 /nfs/dbraw/zinc/50/60/84/554506084.db2.gz OTMKRMZIMHXSDG-NZWZHHCMSA-N 1 0 507.590 4.272 50 0 biogenic KIAARO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999337 554506118 /nfs/dbraw/zinc/50/61/18/554506118.db2.gz IENFCJWKWCGXOO-KDLQGFRMSA-N 1 0 507.590 4.327 50 0 biogenic KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cccc(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000061999338 554506113 /nfs/dbraw/zinc/50/61/13/554506113.db2.gz VKXHDGXYEZBTOB-GLKSXAEWSA-N 1 0 507.590 4.272 50 0 biogenic KIAARO COc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000061999347 554506052 /nfs/dbraw/zinc/50/60/52/554506052.db2.gz IYLQWKSJFNCKQD-KDLQGFRMSA-N 1 0 507.590 4.327 50 0 biogenic KIAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](C(C)C)[NH2+][C@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000061999522 554506284 /nfs/dbraw/zinc/50/62/84/554506284.db2.gz COUGFWXGJIHRCD-FPGHNAPASA-N 1 0 500.393 4.046 50 0 biogenic KIAARO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H](CC(C)C)[NH2+][C@]23C(=O)Nc2ccc(Br)cc23)cc1 ZINC000061999533 554506416 /nfs/dbraw/zinc/50/64/16/554506416.db2.gz UHOLZRREUVTMBK-NNPDTBDGSA-N 1 0 514.420 4.436 50 0 biogenic KIAARO O=C(c1ccccc1)c1ccc2nc(NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3nncn3c2c1 ZINC000063457760 554509385 /nfs/dbraw/zinc/50/93/85/554509385.db2.gz KUTDBXDIYXCMDW-UHFFFAOYSA-N 1 0 512.017 4.396 50 0 KIAARO Cc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 ZINC000063539888 554509655 /nfs/dbraw/zinc/50/96/55/554509655.db2.gz JVDOKQYTTYUYDV-UHFFFAOYSA-N 1 0 509.680 4.101 50 0 in-vitro KIAARO COc1cccc(N2CCN(Cc3cccn3-c3nnc(N4CC[NH+](C5CCCCC5)CC4)s3)CC2)c1 ZINC000063584643 554510088 /nfs/dbraw/zinc/51/00/88/554510088.db2.gz PVJKWGDUWJCHEU-UHFFFAOYSA-N 1 0 521.735 4.114 50 0 KIAARO Fc1ccccc1N1CCN(Cc2cccn2-c2nnc(N3CC[NH+](C4CCCCC4)CC3)s2)CC1 ZINC000063584645 554510028 /nfs/dbraw/zinc/51/00/28/554510028.db2.gz RTCGJTNVMCURLW-UHFFFAOYSA-N 1 0 509.699 4.245 50 0 KIAARO COc1ccc(-c2nc3sc(N(C)CC(=O)NCCC[NH+]4CCCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703588 554513959 /nfs/dbraw/zinc/51/39/59/554513959.db2.gz IMLJEUKLMUAFFZ-UHFFFAOYSA-N 1 0 513.712 4.105 50 0 KIAARO COc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@@H+]4CCCC[C@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064703593 554514023 /nfs/dbraw/zinc/51/40/23/554514023.db2.gz JYISBSWTQPEPPW-GOSISDBHSA-N 1 0 513.712 4.104 50 0 KIAARO COc1ccc(-c2nc3sc(N(C)CC(=O)NCC[N@@H+]4CCCC[C@@H]4C)nn3c2NC(C)(C)C)cc1 ZINC000064703595 554513982 /nfs/dbraw/zinc/51/39/82/554513982.db2.gz JYISBSWTQPEPPW-SFHVURJKSA-N 1 0 513.712 4.104 50 0 KIAARO COc1ccc(-c2nc3sc(N(C)CC(=O)NCC[C@H](C)[NH+]4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703610 554514070 /nfs/dbraw/zinc/51/40/70/554514070.db2.gz SOPOVQGZFMSCDV-SFHVURJKSA-N 1 0 513.712 4.104 50 0 KIAARO COc1ccc(-c2nc3sc(N(C)CC(=O)NCC[C@@H](C)[NH+]4CCCC4)nn3c2NC(C)(C)C)cc1 ZINC000064703613 554514092 /nfs/dbraw/zinc/51/40/92/554514092.db2.gz SOPOVQGZFMSCDV-GOSISDBHSA-N 1 0 513.712 4.104 50 0 KIAARO CN(CC(=O)NCCC[NH+]1CCCCC1)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703930 554514246 /nfs/dbraw/zinc/51/42/46/554514246.db2.gz JACHEUNNWTUWII-UHFFFAOYSA-N 1 0 501.676 4.236 50 0 KIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703937 554514390 /nfs/dbraw/zinc/51/43/90/554514390.db2.gz JSPZTSOIOLHIKR-QGZVFWFLSA-N 1 0 501.676 4.234 50 0 KIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3ccc(F)cc3)c2NC(C)(C)C)s1 ZINC000064703939 554514332 /nfs/dbraw/zinc/51/43/32/554514332.db2.gz JSPZTSOIOLHIKR-KRWDZBQOSA-N 1 0 501.676 4.234 50 0 KIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)C1 ZINC000064703947 554514343 /nfs/dbraw/zinc/51/43/43/554514343.db2.gz RGXNVRGWGWOYBP-GOSISDBHSA-N 1 0 515.703 4.482 50 0 KIAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccc(F)cc4)c3NC(C)(C)C)s2)C1 ZINC000064703949 554514240 /nfs/dbraw/zinc/51/42/40/554514240.db2.gz RGXNVRGWGWOYBP-SFHVURJKSA-N 1 0 515.703 4.482 50 0 KIAARO CN(CC(=O)NCCC[NH+]1CCCCC1)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704271 554514903 /nfs/dbraw/zinc/51/49/03/554514903.db2.gz BJAJVJIQCBJDGV-UHFFFAOYSA-N 1 0 501.676 4.236 50 0 KIAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704278 554514894 /nfs/dbraw/zinc/51/48/94/554514894.db2.gz DHKNOQJOAXSHPW-QGZVFWFLSA-N 1 0 501.676 4.234 50 0 KIAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)CN(C)c1nn2c(nc(-c3cccc(F)c3)c2NC(C)(C)C)s1 ZINC000064704280 554514953 /nfs/dbraw/zinc/51/49/53/554514953.db2.gz DHKNOQJOAXSHPW-KRWDZBQOSA-N 1 0 501.676 4.234 50 0 KIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)C1 ZINC000064704288 554514887 /nfs/dbraw/zinc/51/48/87/554514887.db2.gz IOKXLZCQRKEZHT-GOSISDBHSA-N 1 0 515.703 4.482 50 0 KIAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4cccc(F)c4)c3NC(C)(C)C)s2)C1 ZINC000064704290 554514924 /nfs/dbraw/zinc/51/49/24/554514924.db2.gz IOKXLZCQRKEZHT-SFHVURJKSA-N 1 0 515.703 4.482 50 0 KIAARO C[C@@H]1CCC[N@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)C1 ZINC000064704316 554514871 /nfs/dbraw/zinc/51/48/71/554514871.db2.gz GNLISXKICVNDOA-HXUWFJFHSA-N 1 0 509.724 4.487 50 0 KIAARO C[C@H]1CCC[N@H+](CCCNC(=O)CN(C)c2nn3c(nc(-c4ccccc4)c3NC3CCCC3)s2)C1 ZINC000064704318 554514973 /nfs/dbraw/zinc/51/49/73/554514973.db2.gz GNLISXKICVNDOA-FQEVSTJZSA-N 1 0 509.724 4.487 50 0 KIAARO CN(CC(=O)NCC[N@H+](C)Cc1ccccc1)c1nn2c(nc(-c3ccccc3)c2NC(C)(C)C)s1 ZINC000064704451 554514979 /nfs/dbraw/zinc/51/49/79/554514979.db2.gz SGJUTKZRBLAMKS-UHFFFAOYSA-N 1 0 505.692 4.353 50 0 KIAARO O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(Sc3ccc(Br)cc3)nn2)CC1 ZINC000065314869 554526225 /nfs/dbraw/zinc/52/62/25/554526225.db2.gz NRTSMEMYKDALRI-UHFFFAOYSA-N 1 0 504.498 4.209 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC1(Cc3ccc(OCc4ccccc4)cc3)C(=O)N(C)C(=O)N(C)C1=O)CC2 ZINC000070670228 553600925 /nfs/dbraw/zinc/60/09/25/553600925.db2.gz TYTYMACEYURKTQ-QFIPXVFZSA-N 1 0 571.674 4.481 50 0 biogenic KIAARO COc1cc(CC2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@@H]3C)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1 ZINC000070671756 553601435 /nfs/dbraw/zinc/60/14/35/553601435.db2.gz GVHJDNIENNIFTN-QFIPXVFZSA-N 1 0 601.700 4.490 50 0 biogenic KIAARO COc1cc(OC[C@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000070672720 553602718 /nfs/dbraw/zinc/60/27/18/553602718.db2.gz KNDXFMROHBVEHB-UXQAWRDMSA-N 1 0 578.706 4.198 50 0 KIAARO COc1cc(OC[C@@H](O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc2c1C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2 ZINC000070672722 553602775 /nfs/dbraw/zinc/60/27/75/553602775.db2.gz KNDXFMROHBVEHB-BIGJELTGSA-N 1 0 578.706 4.198 50 0 KIAARO O=C(c1ccc(Br)cc1)[C@H]1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCC[N@@H+]2[C@@]12C(=O)Nc1ccccc12 ZINC000070673821 553604129 /nfs/dbraw/zinc/60/41/29/553604129.db2.gz BBWUISVRDPZZLH-YRLQWRJRSA-N 1 0 528.406 4.464 50 0 biogenic KIAARO COc1cccc(C(=O)[C@H]2[C@]3(C(=O)Nc4ccccc43)[C@H](Cc3ccccc3)[NH2+][C@@]23C(=O)Nc2ccccc23)c1 ZINC000070697437 553612823 /nfs/dbraw/zinc/61/28/23/553612823.db2.gz MWXJEMYIZXUMIN-SFMYBXFNSA-N 1 0 529.596 4.446 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699208 553615888 /nfs/dbraw/zinc/61/58/88/553615888.db2.gz ADFLRTWCVUDHAX-XTQYNZLPSA-N 1 0 532.600 4.155 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699210 553615895 /nfs/dbraw/zinc/61/58/95/553615895.db2.gz ADFLRTWCVUDHAX-ACIRYHQQSA-N 1 0 532.600 4.155 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699213 553615934 /nfs/dbraw/zinc/61/59/34/553615934.db2.gz ADFLRTWCVUDHAX-WEBZSHJMSA-N 1 0 532.600 4.155 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000070699216 553615903 /nfs/dbraw/zinc/61/59/03/553615903.db2.gz ADFLRTWCVUDHAX-BESNRVDSSA-N 1 0 532.600 4.155 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699219 553615891 /nfs/dbraw/zinc/61/58/91/553615891.db2.gz QKNNYFKQZIDUHR-CPBHOCDRSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699223 553615925 /nfs/dbraw/zinc/61/59/25/553615925.db2.gz QKNNYFKQZIDUHR-YTEUAAESSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699229 553615871 /nfs/dbraw/zinc/61/58/71/553615871.db2.gz QKNNYFKQZIDUHR-YRIIQKNPSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000070699230 553615899 /nfs/dbraw/zinc/61/58/99/553615899.db2.gz QKNNYFKQZIDUHR-TUAOVVRQSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699493 553616174 /nfs/dbraw/zinc/61/61/74/553616174.db2.gz DWGVEKIJIURHDU-KDLQGFRMSA-N 1 0 523.589 4.027 50 0 biogenic KIAARO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c(OC)c1 ZINC000070699621 553616513 /nfs/dbraw/zinc/61/65/13/553616513.db2.gz ORRRQSVEYRCVDW-CBVMVLCFSA-N 1 0 523.589 4.027 50 0 biogenic KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700213 553617971 /nfs/dbraw/zinc/61/79/71/553617971.db2.gz DQDVMXAVIZOHDD-XZSHTLEFSA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700214 553617913 /nfs/dbraw/zinc/61/79/13/553617913.db2.gz DQDVMXAVIZOHDD-GURVGDRESA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700221 553618013 /nfs/dbraw/zinc/61/80/13/553618013.db2.gz DQDVMXAVIZOHDD-PCEYSVKOSA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070700222 553617947 /nfs/dbraw/zinc/61/79/47/553617947.db2.gz DQDVMXAVIZOHDD-ZGQJUUMOSA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000070700364 553618195 /nfs/dbraw/zinc/61/81/95/553618195.db2.gz SIUOYTKNFZJECV-JZMUPVMCSA-N 1 0 521.573 4.047 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700742 553619452 /nfs/dbraw/zinc/61/94/52/553619452.db2.gz CPWXBTKJSFJSBO-ZASNTINBSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700744 553619486 /nfs/dbraw/zinc/61/94/86/553619486.db2.gz CPWXBTKJSFJSBO-ZRIOWSNCSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700746 553619517 /nfs/dbraw/zinc/61/95/17/553619517.db2.gz CPWXBTKJSFJSBO-YDXRHMNESA-N 1 0 538.991 4.192 50 0 biogenic KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070700749 553619338 /nfs/dbraw/zinc/61/93/38/553619338.db2.gz CPWXBTKJSFJSBO-SODQHWRNSA-N 1 0 538.991 4.192 50 0 biogenic KIAARO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1OC ZINC000070700782 553619413 /nfs/dbraw/zinc/61/94/13/553619413.db2.gz CCIIJTFYTVPCNO-JDPWCRRISA-N 1 0 537.616 4.335 50 0 biogenic KIAARO COc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c(OC)c1 ZINC000070700960 553619938 /nfs/dbraw/zinc/61/99/38/553619938.db2.gz CLNDGPCBHSTQAI-IHAJHMTMSA-N 1 0 537.616 4.335 50 0 biogenic KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)cc2OC)[C@@]12c1ccccc1NC2=O ZINC000070701068 553620507 /nfs/dbraw/zinc/62/05/07/553620507.db2.gz YZPBMSIWXFOMES-LZEYHBPHSA-N 1 0 537.616 4.281 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701085 553620472 /nfs/dbraw/zinc/62/04/72/553620472.db2.gz IEOHKQQNYBSAFG-SODQHWRNSA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701086 553620580 /nfs/dbraw/zinc/62/05/80/553620580.db2.gz IEOHKQQNYBSAFG-YDXRHMNESA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701087 553620598 /nfs/dbraw/zinc/62/05/98/553620598.db2.gz IEOHKQQNYBSAFG-ZRIOWSNCSA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070701088 553620570 /nfs/dbraw/zinc/62/05/70/553620570.db2.gz IEOHKQQNYBSAFG-ZASNTINBSA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701090 553620501 /nfs/dbraw/zinc/62/05/01/553620501.db2.gz DKJGVCSNCFDAPO-GALPXTFTSA-N 1 0 555.034 4.302 50 0 biogenic KIAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701091 553620521 /nfs/dbraw/zinc/62/05/21/553620521.db2.gz DKJGVCSNCFDAPO-BQNOKLPLSA-N 1 0 555.034 4.302 50 0 biogenic KIAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701093 553620544 /nfs/dbraw/zinc/62/05/44/553620544.db2.gz DKJGVCSNCFDAPO-AIHUPLDYSA-N 1 0 555.034 4.302 50 0 biogenic KIAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2c1ccc(Cl)c2C ZINC000070701094 553620552 /nfs/dbraw/zinc/62/05/52/553620552.db2.gz DKJGVCSNCFDAPO-BQMULWJUSA-N 1 0 555.034 4.302 50 0 biogenic KIAARO COc1ccc(OC)c(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701139 553620950 /nfs/dbraw/zinc/62/09/50/553620950.db2.gz JRWJDJJVEJEJCL-IHAJHMTMSA-N 1 0 537.616 4.335 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701160 553620893 /nfs/dbraw/zinc/62/08/93/553620893.db2.gz OCBRZYPRQKZDTM-XZSHTLEFSA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701162 553620928 /nfs/dbraw/zinc/62/09/28/553620928.db2.gz OCBRZYPRQKZDTM-GURVGDRESA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701164 553620837 /nfs/dbraw/zinc/62/08/37/553620837.db2.gz OCBRZYPRQKZDTM-PCEYSVKOSA-N 1 0 539.035 4.336 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21 ZINC000070701165 553620846 /nfs/dbraw/zinc/62/08/46/553620846.db2.gz OCBRZYPRQKZDTM-ZGQJUUMOSA-N 1 0 539.035 4.336 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701179 553620933 /nfs/dbraw/zinc/62/09/33/553620933.db2.gz FQQLILCIEXODCP-SODQHWRNSA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701181 553620939 /nfs/dbraw/zinc/62/09/39/553620939.db2.gz FQQLILCIEXODCP-YDXRHMNESA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701182 553620923 /nfs/dbraw/zinc/62/09/23/553620923.db2.gz FQQLILCIEXODCP-ZRIOWSNCSA-N 1 0 541.007 4.306 50 0 biogenic KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000070701184 553620897 /nfs/dbraw/zinc/62/08/97/553620897.db2.gz FQQLILCIEXODCP-ZASNTINBSA-N 1 0 541.007 4.306 50 0 biogenic KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070701413 553621651 /nfs/dbraw/zinc/62/16/51/553621651.db2.gz OOOYCSXLQOMGDV-NEYZWBGCSA-N 1 0 537.616 4.281 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704586 553623289 /nfs/dbraw/zinc/62/32/89/553623289.db2.gz ZOTNKMUIYSXUSK-WZUKXRJWSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704593 553623233 /nfs/dbraw/zinc/62/32/33/553623233.db2.gz ZOTNKMUIYSXUSK-FOLYNEBTSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704595 553623269 /nfs/dbraw/zinc/62/32/69/553623269.db2.gz ZOTNKMUIYSXUSK-YIZCCYSQSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1OC ZINC000070704600 553623222 /nfs/dbraw/zinc/62/32/22/553623222.db2.gz ZOTNKMUIYSXUSK-VVPNKDTJSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705243 553624872 /nfs/dbraw/zinc/62/48/72/553624872.db2.gz QBBOEJJIFLLBIH-MUSMBDMCSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705246 553624878 /nfs/dbraw/zinc/62/48/78/553624878.db2.gz QBBOEJJIFLLBIH-PTLRTPRYSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705249 553624896 /nfs/dbraw/zinc/62/48/96/553624896.db2.gz QBBOEJJIFLLBIH-GFGYWFAOSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO COc1ccc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1OC ZINC000070705252 553624780 /nfs/dbraw/zinc/62/47/80/553624780.db2.gz QBBOEJJIFLLBIH-YCYTWPSCSA-N 1 0 585.060 4.044 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705423 553625274 /nfs/dbraw/zinc/62/52/74/553625274.db2.gz XWGPXGCFZNGUDZ-XDEUOAMESA-N 1 0 569.017 4.069 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705426 553625386 /nfs/dbraw/zinc/62/53/86/553625386.db2.gz XWGPXGCFZNGUDZ-ZFXCNGLTSA-N 1 0 569.017 4.069 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705428 553625352 /nfs/dbraw/zinc/62/53/52/553625352.db2.gz XWGPXGCFZNGUDZ-UGZASAPCSA-N 1 0 569.017 4.069 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]21 ZINC000070705431 553625333 /nfs/dbraw/zinc/62/53/33/553625333.db2.gz XWGPXGCFZNGUDZ-WDYOTBSQSA-N 1 0 569.017 4.069 50 0 biogenic KIAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705904 553626715 /nfs/dbraw/zinc/62/67/15/553626715.db2.gz XZAAUWRCFUWEIW-XZSHTLEFSA-N 1 0 569.017 4.223 50 0 biogenic KIAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705907 553626700 /nfs/dbraw/zinc/62/67/00/553626700.db2.gz XZAAUWRCFUWEIW-GURVGDRESA-N 1 0 569.017 4.223 50 0 biogenic KIAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705912 553626657 /nfs/dbraw/zinc/62/66/57/553626657.db2.gz XZAAUWRCFUWEIW-PCEYSVKOSA-N 1 0 569.017 4.223 50 0 biogenic KIAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070705913 553626640 /nfs/dbraw/zinc/62/66/40/553626640.db2.gz XZAAUWRCFUWEIW-ZGQJUUMOSA-N 1 0 569.017 4.223 50 0 biogenic KIAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706141 553627174 /nfs/dbraw/zinc/62/71/74/553627174.db2.gz SWKHSAVLZHPMIR-VVPQVUFJSA-N 1 0 569.017 4.084 50 0 biogenic KIAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706144 553627202 /nfs/dbraw/zinc/62/72/02/553627202.db2.gz SWKHSAVLZHPMIR-DCBMAJDCSA-N 1 0 569.017 4.084 50 0 biogenic KIAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706148 553627185 /nfs/dbraw/zinc/62/71/85/553627185.db2.gz SWKHSAVLZHPMIR-USFMNVFSSA-N 1 0 569.017 4.084 50 0 biogenic KIAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](Cc1c[nH]c3ccccc13)[NH2+][C@@]21C(=O)Nc2c1cc(Cl)cc2C ZINC000070706150 553627208 /nfs/dbraw/zinc/62/72/08/553627208.db2.gz SWKHSAVLZHPMIR-GMFHJIRQSA-N 1 0 569.017 4.084 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706689 553628546 /nfs/dbraw/zinc/62/85/46/553628546.db2.gz DXBFPRWETVBCRR-XDEUOAMESA-N 1 0 569.017 4.022 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706692 553628550 /nfs/dbraw/zinc/62/85/50/553628550.db2.gz DXBFPRWETVBCRR-ZFXCNGLTSA-N 1 0 569.017 4.022 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706695 553628567 /nfs/dbraw/zinc/62/85/67/553628567.db2.gz DXBFPRWETVBCRR-UGZASAPCSA-N 1 0 569.017 4.022 50 0 biogenic KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000070706698 553628558 /nfs/dbraw/zinc/62/85/58/553628558.db2.gz DXBFPRWETVBCRR-WDYOTBSQSA-N 1 0 569.017 4.022 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706700 553628540 /nfs/dbraw/zinc/62/85/40/553628540.db2.gz AXOWKBARDCNFGR-RXDUGQIKSA-N 1 0 569.017 4.166 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706702 553628562 /nfs/dbraw/zinc/62/85/62/553628562.db2.gz AXOWKBARDCNFGR-CYOUBLJMSA-N 1 0 569.017 4.166 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706707 553628572 /nfs/dbraw/zinc/62/85/72/553628572.db2.gz AXOWKBARDCNFGR-TXHDDHBJSA-N 1 0 569.017 4.166 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cccc3Cl)cc1 ZINC000070706709 553628516 /nfs/dbraw/zinc/62/85/16/553628516.db2.gz AXOWKBARDCNFGR-PBANKSGMSA-N 1 0 569.017 4.166 50 0 biogenic KIAARO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070706992 553629664 /nfs/dbraw/zinc/62/96/64/553629664.db2.gz UTQFEYHQIFMLLP-GIHVEBPHSA-N 1 0 567.642 4.289 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707192 553630264 /nfs/dbraw/zinc/63/02/64/553630264.db2.gz YMVLMPZUCAGUQE-UOJGMACNSA-N 1 0 583.044 4.474 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707195 553630203 /nfs/dbraw/zinc/63/02/03/553630203.db2.gz YMVLMPZUCAGUQE-XPZOENDESA-N 1 0 583.044 4.474 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707197 553630219 /nfs/dbraw/zinc/63/02/19/553630219.db2.gz YMVLMPZUCAGUQE-ZVJSOJQNSA-N 1 0 583.044 4.474 50 0 biogenic KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000070707200 553630253 /nfs/dbraw/zinc/63/02/53/553630253.db2.gz YMVLMPZUCAGUQE-FBIDWWCOSA-N 1 0 583.044 4.474 50 0 biogenic KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000070707263 553630439 /nfs/dbraw/zinc/63/04/39/553630439.db2.gz YAONODVEIISWDZ-VTQDICDJSA-N 1 0 567.642 4.289 50 0 biogenic KIAARO C[N@@H+]1CCN2c3cc(Cl)ccc3CC3(C(=O)N(c4ccccc4)C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000071405527 553636166 /nfs/dbraw/zinc/63/61/66/553636166.db2.gz MLBXHRZIZHEFJP-DEOSSOPVSA-N 1 0 500.986 4.203 50 0 KIAARO COc1ccc([C@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000072135043 553644336 /nfs/dbraw/zinc/64/43/36/553644336.db2.gz NGMNWORWRJEHNQ-QHCPKHFHSA-N 1 0 532.460 4.291 50 0 KIAARO COc1ccc([C@@H](CNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)[NH+](C)C)cc1 ZINC000072135044 553644381 /nfs/dbraw/zinc/64/43/81/553644381.db2.gz NGMNWORWRJEHNQ-HSZRJFAPSA-N 1 0 532.460 4.291 50 0 KIAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000072136833 553644389 /nfs/dbraw/zinc/64/43/89/553644389.db2.gz IKVXOJQJCKPPJA-UHFFFAOYSA-N 1 0 536.481 4.108 50 0 KIAARO COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CC[NH2+]CC3)c(C(F)(F)F)c2)c(=O)n4C)cn1 ZINC000073069304 553652037 /nfs/dbraw/zinc/65/20/37/553652037.db2.gz BMMXYEBLEBULND-UHFFFAOYSA-N 1 0 534.542 4.376 50 0 in-man KIAARO COc1ccc(-c2cc3ccc(OCC(=O)NC[C@@H]4CCC[N@@H+]5CCCC[C@H]45)cc3oc2=O)cc1OC ZINC000079189594 553667281 /nfs/dbraw/zinc/66/72/81/553667281.db2.gz TUDBWEVHOGMPQP-XUZZJYLKSA-N 1 0 506.599 4.237 50 0 biogenic KIAARO CC(C)(C)OC(=O)N1CCCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CCC[NH2+]CC1 ZINC000090411141 553694853 /nfs/dbraw/zinc/69/48/53/553694853.db2.gz FIPOUUYFPSMVMX-UHFFFAOYSA-N 1 0 500.681 4.081 50 0 KIAARO C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c1 ZINC000091998092 553695235 /nfs/dbraw/zinc/69/52/35/553695235.db2.gz VSRTUVSDRRMHNY-UHFFFAOYSA-N 1 0 520.120 4.419 50 0 KIAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000095101406 553700432 /nfs/dbraw/zinc/70/04/32/553700432.db2.gz ZRFGCOFGZGFLFM-NZOAYYAZSA-N 1 0 511.597 4.387 50 0 KIAARO Cc1ncc(CN2CC[NH+](CCc3ccncc3)CC2)c2cc(-c3cc(=O)oc4cc5c(cc43)OCO5)oc21 ZINC000095472628 553701379 /nfs/dbraw/zinc/70/13/79/553701379.db2.gz KXOOSKXGADAGBL-UHFFFAOYSA-N 1 0 524.577 4.394 50 0 KIAARO Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C[NH+]1CCN(c3cc(N4CCCC4)nc(N4CCCC4)n3)CC1)O2 ZINC000095551773 553704376 /nfs/dbraw/zinc/70/43/76/553704376.db2.gz KPZQRBACZSLMPH-SSEXGKCCSA-N 1 0 520.722 4.214 50 0 in-vitro KIAARO CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CC[NH+](C)CC3)c2)cc2c1cnn2C(C)C ZINC000095564006 553704331 /nfs/dbraw/zinc/70/43/31/553704331.db2.gz ULNXAWLQFZMIHX-UHFFFAOYSA-N 1 0 541.700 4.310 50 0 in-vitro KIAARO COc1cc([C@@H](C[NH+]2CCCCC2)c2nc(-c3ccccc3)nn(CN3CCCCC3)c2=O)cc(OC)c1OC ZINC000095725747 553710749 /nfs/dbraw/zinc/71/07/49/553710749.db2.gz KCLZMTVUCDOBPG-RUZDIDTESA-N 1 0 547.700 4.392 50 0 KIAARO COc1cc([C@H](C[NH+]2CCCCC2)c2nc(-c3ccccc3)nn(CN3CCCCC3)c2=O)cc(OC)c1OC ZINC000095725748 553710810 /nfs/dbraw/zinc/71/08/10/553710810.db2.gz KCLZMTVUCDOBPG-VWLOTQADSA-N 1 0 547.700 4.392 50 0 KIAARO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH2+][C@H](C)C4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000096281213 553737083 /nfs/dbraw/zinc/73/70/83/553737083.db2.gz IJVRDBYZTKAEFF-PBBNMVCDSA-N 1 0 501.627 4.485 50 0 KIAARO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH2+][C@H](C)C4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000096281214 553737228 /nfs/dbraw/zinc/73/72/28/553737228.db2.gz IJVRDBYZTKAEFF-ONOMSOESSA-N 1 0 501.627 4.485 50 0 KIAARO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH2+][C@@H](C)C4)o3)cc2[C@@H]1c1cccc(C)c1 ZINC000096281215 553737165 /nfs/dbraw/zinc/73/71/65/553737165.db2.gz IJVRDBYZTKAEFF-LGGPFLRQSA-N 1 0 501.627 4.485 50 0 KIAARO CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CC[NH2+][C@@H](C)C4)o3)cc2[C@H]1c1cccc(C)c1 ZINC000096281216 553737068 /nfs/dbraw/zinc/73/70/68/553737068.db2.gz IJVRDBYZTKAEFF-KCWXNJEJSA-N 1 0 501.627 4.485 50 0 KIAARO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CCSC)[NH2+][C@]21c2ccccc2N(Cc2ccccc2Cl)C1=O ZINC000096299592 553748688 /nfs/dbraw/zinc/74/86/88/553748688.db2.gz IAIXAIAYQAHPPU-ONLLFZDPSA-N 1 0 512.075 4.208 50 0 KIAARO O=C1C[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000096562016 553755413 /nfs/dbraw/zinc/75/54/13/553755413.db2.gz URZKEBUKLPOXSO-DEOSSOPVSA-N 1 0 504.428 4.488 50 0 KIAARO Cc1c(C(N)=O)sc(NC(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C(=O)OC(C)C ZINC000097945694 553774155 /nfs/dbraw/zinc/77/41/55/553774155.db2.gz NGPQLRJXWNLOOD-UHFFFAOYSA-N 1 0 534.682 4.066 50 0 KIAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc(Br)cc(Br)c2OC)CC1 ZINC000097948170 553791688 /nfs/dbraw/zinc/79/16/88/553791688.db2.gz UZVVTBUJOYVAAP-UHFFFAOYSA-N 1 0 555.267 4.401 50 0 KIAARO Cc1c2c(cc(=O)n1CCN1CCOCC1)n(Cc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097948542 553794634 /nfs/dbraw/zinc/79/46/34/553794634.db2.gz RYDRQKFTQARJHP-UHFFFAOYSA-N 1 0 580.508 4.015 50 0 KIAARO Cc1c2c(cc(=O)n1CCCN1CCOCC1)n(Cc1ccc(Br)cc1)n(-c1nc3ccccc3s1)c2=O ZINC000097948689 553795835 /nfs/dbraw/zinc/79/58/35/553795835.db2.gz JDJUVJRZRUEENJ-UHFFFAOYSA-N 1 0 594.535 4.405 50 0 KIAARO CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000097952084 553812966 /nfs/dbraw/zinc/81/29/66/553812966.db2.gz REJWVBUAKWGSMA-UHFFFAOYSA-N 1 0 529.435 4.267 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000097955518 553830977 /nfs/dbraw/zinc/83/09/77/553830977.db2.gz KRGBBHQUSOKXIJ-MIFWMJNYSA-N 1 0 540.730 4.339 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000097955519 553830906 /nfs/dbraw/zinc/83/09/06/553830906.db2.gz KRGBBHQUSOKXIJ-LECGRMGRSA-N 1 0 540.730 4.339 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000097955530 553830934 /nfs/dbraw/zinc/83/09/34/553830934.db2.gz ARVFMCWHIMVIRJ-ZVQQDINOSA-N 1 0 544.693 4.170 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000097955531 553830973 /nfs/dbraw/zinc/83/09/73/553830973.db2.gz ARVFMCWHIMVIRJ-YAOQVBECSA-N 1 0 544.693 4.170 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000097955534 553831015 /nfs/dbraw/zinc/83/10/15/553831015.db2.gz VOXGMLBVIGWBOG-RGPPVUSESA-N 1 0 544.693 4.170 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000097955535 553830953 /nfs/dbraw/zinc/83/09/53/553830953.db2.gz VOXGMLBVIGWBOG-HRBBJJPOSA-N 1 0 544.693 4.170 50 0 KIAARO C[NH+](C)CCN1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1 ZINC000097956323 553837663 /nfs/dbraw/zinc/83/76/63/553837663.db2.gz ACNFELCRMZSRAK-QJOMJCCJSA-N 1 0 546.615 4.261 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963603 553891978 /nfs/dbraw/zinc/89/19/78/553891978.db2.gz XEKKBQMNFNBKKB-CALCHBBNSA-N 1 0 563.742 4.134 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963604 553892141 /nfs/dbraw/zinc/89/21/41/553892141.db2.gz XEKKBQMNFNBKKB-IAGOWNOFSA-N 1 0 563.742 4.134 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000097963605 553892511 /nfs/dbraw/zinc/89/25/11/553892511.db2.gz XEKKBQMNFNBKKB-IRXDYDNUSA-N 1 0 563.742 4.134 50 0 KIAARO Cc1ccc(C)c(Cn2c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000097963922 553895376 /nfs/dbraw/zinc/89/53/76/553895376.db2.gz GEFGUKOBTKUJDL-UHFFFAOYSA-N 1 0 562.718 4.006 50 0 KIAARO CCOC(=O)c1c(C)c(C(=O)OCCOC)sc1NC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097981465 553994168 /nfs/dbraw/zinc/99/41/68/553994168.db2.gz FMTDKQBZKGAECN-UHFFFAOYSA-N 1 0 579.719 4.382 50 0 KIAARO CCOc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CC[NH+](CC)CC2)cc(OCC)c1OCC ZINC000097982589 554003676 /nfs/dbraw/zinc/00/36/76/554003676.db2.gz NOXUFVVSVGMINP-UHFFFAOYSA-N 1 0 588.771 4.452 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000097995445 554034953 /nfs/dbraw/zinc/03/49/53/554034953.db2.gz RRHQFOSVXSDCLX-RUZDIDTESA-N 1 0 586.158 4.047 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000097995446 554034959 /nfs/dbraw/zinc/03/49/59/554034959.db2.gz RRHQFOSVXSDCLX-VWLOTQADSA-N 1 0 586.158 4.047 50 0 KIAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000097995449 554035012 /nfs/dbraw/zinc/03/50/12/554035012.db2.gz URCGQUBBLDJPSV-XMMPIXPASA-N 1 0 605.683 4.022 50 0 KIAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000097995450 554035017 /nfs/dbraw/zinc/03/50/17/554035017.db2.gz URCGQUBBLDJPSV-DEOSSOPVSA-N 1 0 605.683 4.022 50 0 KIAARO FC(F)(F)Oc1ccc(Nc2nc(N3CCOCC3)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 ZINC000098003671 554056050 /nfs/dbraw/zinc/05/60/50/554056050.db2.gz IFYYELFLWHQMTN-UHFFFAOYSA-N 1 0 535.958 4.330 50 0 KIAARO CN1CCN(c2nc(Nc3ccc(OC(F)(F)F)cc3)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)CC1 ZINC000098003736 554056296 /nfs/dbraw/zinc/05/62/96/554056296.db2.gz ZZHGMRURFFHYLR-UHFFFAOYSA-N 1 0 572.680 4.356 50 0 KIAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]21 ZINC000098005760 554058265 /nfs/dbraw/zinc/05/82/65/554058265.db2.gz RAJVZILTUPWMMI-UJOCQTKCSA-N 1 0 543.023 4.228 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005826 554058820 /nfs/dbraw/zinc/05/88/20/554058820.db2.gz YRJKHIKOPQWMIO-RUZDIDTESA-N 1 0 619.710 4.413 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=S)N2CCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000098005827 554058833 /nfs/dbraw/zinc/05/88/33/554058833.db2.gz YRJKHIKOPQWMIO-VWLOTQADSA-N 1 0 619.710 4.413 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098006386 554061812 /nfs/dbraw/zinc/06/18/12/554061812.db2.gz NRQARPPRNCHLID-UJOCQTKCSA-N 1 0 529.637 4.094 50 0 KIAARO O=C(COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098007864 554064780 /nfs/dbraw/zinc/06/47/80/554064780.db2.gz LDPWCBLMUZPMAS-ISOGBVIHSA-N 1 0 575.775 4.375 50 0 KIAARO O=C(COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccccc1)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000098007865 554064790 /nfs/dbraw/zinc/06/47/90/554064790.db2.gz LDPWCBLMUZPMAS-DLBQQNGMSA-N 1 0 575.775 4.375 50 0 KIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1 ZINC000098009616 554069770 /nfs/dbraw/zinc/06/97/70/554069770.db2.gz AQIWATJUSRBXOD-UHFFFAOYSA-N 1 0 554.576 4.376 50 0 KIAARO Cc1ccccc1[C@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(C(C)(C)C)nn2-c1ccc(F)cc1 ZINC000098010844 554074820 /nfs/dbraw/zinc/07/48/20/554074820.db2.gz CAXXFGXADBZAHU-AREMUKBSSA-N 1 0 537.705 4.464 50 0 KIAARO Cc1ccccc1[C@@H]1SCC(=O)N(CC(=O)NCC[NH+](C)C)c2c1c(C(C)(C)C)nn2-c1ccc(F)cc1 ZINC000098010845 554074872 /nfs/dbraw/zinc/07/48/72/554074872.db2.gz CAXXFGXADBZAHU-SANMLTNESA-N 1 0 537.705 4.464 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(F)cc2)c1 ZINC000098010948 554076077 /nfs/dbraw/zinc/07/60/77/554076077.db2.gz IHAJYIFYYMXBNG-SANMLTNESA-N 1 0 537.705 4.464 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(F)cc2)c1 ZINC000098010949 554076105 /nfs/dbraw/zinc/07/61/05/554076105.db2.gz IHAJYIFYYMXBNG-AREMUKBSSA-N 1 0 537.705 4.464 50 0 KIAARO COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000098010974 554076116 /nfs/dbraw/zinc/07/61/16/554076116.db2.gz WVPQBBKOIHARRD-NDEPHWFRSA-N 1 0 579.767 4.342 50 0 KIAARO COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)c1 ZINC000098010975 554076149 /nfs/dbraw/zinc/07/61/49/554076149.db2.gz WVPQBBKOIHARRD-MUUNZHRXSA-N 1 0 579.767 4.342 50 0 KIAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000098011124 554077585 /nfs/dbraw/zinc/07/75/85/554077585.db2.gz SJTOXOKXCRKDCM-YTTGMZPUSA-N 1 0 615.756 4.412 50 0 KIAARO COc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000098011125 554077489 /nfs/dbraw/zinc/07/74/89/554077489.db2.gz SJTOXOKXCRKDCM-JGCGQSQUSA-N 1 0 615.756 4.412 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2F)cc1 ZINC000098011380 554080325 /nfs/dbraw/zinc/08/03/25/554080325.db2.gz SBLKFBUAMUJGSI-SANMLTNESA-N 1 0 537.705 4.464 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2F)cc1 ZINC000098011381 554080335 /nfs/dbraw/zinc/08/03/35/554080335.db2.gz SBLKFBUAMUJGSI-AREMUKBSSA-N 1 0 537.705 4.464 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2ccc(F)cc2)SCC1=O ZINC000098011520 554081497 /nfs/dbraw/zinc/08/14/97/554081497.db2.gz LSVWUAPJZILBNN-RUZDIDTESA-N 1 0 541.668 4.295 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2ccc(F)cc2)SCC1=O ZINC000098011521 554081576 /nfs/dbraw/zinc/08/15/76/554081576.db2.gz LSVWUAPJZILBNN-VWLOTQADSA-N 1 0 541.668 4.295 50 0 KIAARO COc1ccc(OC)c([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2ccc(F)cc2)c1 ZINC000098011534 554081523 /nfs/dbraw/zinc/08/15/23/554081523.db2.gz TVZCBBJTOHRHFU-HHHXNRCGSA-N 1 0 583.730 4.173 50 0 KIAARO COc1ccc(OC)c([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2ccc(F)cc2)c1 ZINC000098011535 554081488 /nfs/dbraw/zinc/08/14/88/554081488.db2.gz TVZCBBJTOHRHFU-MHZLTWQESA-N 1 0 583.730 4.173 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(F)c2)c1 ZINC000098011830 554084831 /nfs/dbraw/zinc/08/48/31/554084831.db2.gz HEPRTMCHTQYZGR-SANMLTNESA-N 1 0 537.705 4.464 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(F)c2)c1 ZINC000098011831 554084838 /nfs/dbraw/zinc/08/48/38/554084838.db2.gz HEPRTMCHTQYZGR-AREMUKBSSA-N 1 0 537.705 4.464 50 0 KIAARO Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]2c1ccc2c(c1)OCO2 ZINC000098012164 554088277 /nfs/dbraw/zinc/08/82/77/554088277.db2.gz JTZRLRQGTIMGNX-MHZLTWQESA-N 1 0 563.724 4.054 50 0 KIAARO Cc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]2c1ccc2c(c1)OCO2 ZINC000098012165 554088291 /nfs/dbraw/zinc/08/82/91/554088291.db2.gz JTZRLRQGTIMGNX-HHHXNRCGSA-N 1 0 563.724 4.054 50 0 KIAARO O=C(c1ccc(CSc2nc(N3CC[NH+](Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1)N1CCOCC1 ZINC000098015117 554095867 /nfs/dbraw/zinc/09/58/67/554095867.db2.gz NDIOVOOEDJTJRE-UHFFFAOYSA-N 1 0 547.603 4.175 50 0 KIAARO CC(=O)N1CCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](Cc5ccccc5)CC4)cc(C(F)(F)F)n3)o2)CC1 ZINC000098015118 554095804 /nfs/dbraw/zinc/09/58/04/554095804.db2.gz IDJLPKQBHMCGNV-UHFFFAOYSA-N 1 0 588.656 4.007 50 0 KIAARO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CC[NH+](Cc5ccccc5)CC4)n3)o2)C1 ZINC000098015163 554096535 /nfs/dbraw/zinc/09/65/35/554096535.db2.gz VJCCGOMAUMUQSA-XMMPIXPASA-N 1 0 593.750 4.246 50 0 KIAARO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CC[NH+](Cc5ccccc5)CC4)n3)o2)C1 ZINC000098015164 554096572 /nfs/dbraw/zinc/09/65/72/554096572.db2.gz VJCCGOMAUMUQSA-DEOSSOPVSA-N 1 0 593.750 4.246 50 0 KIAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 ZINC000098015267 554097507 /nfs/dbraw/zinc/09/75/07/554097507.db2.gz YHYSBAITHRXOOA-MHZLTWQESA-N 1 0 547.725 4.146 50 0 KIAARO COCc1cc(N2CC[NH+](Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1 ZINC000098015268 554097500 /nfs/dbraw/zinc/09/75/00/554097500.db2.gz YHYSBAITHRXOOA-HHHXNRCGSA-N 1 0 547.725 4.146 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1cc(NC(=O)c2ccc(OC)cc2OC)ccc1N1CCN(c2ccccc2OC)CC1 ZINC000098017261 554107082 /nfs/dbraw/zinc/10/70/82/554107082.db2.gz FOLVUWBGHWUELO-UHFFFAOYSA-N 1 0 589.737 4.363 50 0 KIAARO COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC[NH+]2CCCC2)C(=O)Cc2ccccc2)cc1OC ZINC000098019831 554114641 /nfs/dbraw/zinc/11/46/41/554114641.db2.gz HHTHQMBHRABGFD-UHFFFAOYSA-N 1 0 547.696 4.344 50 0 KIAARO [NH3+]CCOCCOCCNC(=O)Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc(NCC3CCCCC3)n2)cc1 ZINC000098043807 554128748 /nfs/dbraw/zinc/12/87/48/554128748.db2.gz MOVYITHKOHMLHC-UHFFFAOYSA-N 1 0 594.736 4.009 50 0 in-vitro KIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000098046741 554143126 /nfs/dbraw/zinc/14/31/26/554143126.db2.gz CRAYSJSXVRBDEL-JOCHJYFZSA-N 1 0 545.430 4.468 50 0 KIAARO CC[NH+](CC)CCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000098046742 554143104 /nfs/dbraw/zinc/14/31/04/554143104.db2.gz CRAYSJSXVRBDEL-QFIPXVFZSA-N 1 0 545.430 4.468 50 0 KIAARO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCCC1 ZINC000098048113 554159478 /nfs/dbraw/zinc/15/94/78/554159478.db2.gz BBCVZJUCBBMBGJ-OAHLLOKOSA-N 1 0 546.190 4.460 50 0 KIAARO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)C[NH+]1CCCC1 ZINC000098048114 554159520 /nfs/dbraw/zinc/15/95/20/554159520.db2.gz BBCVZJUCBBMBGJ-HNNXBMFYSA-N 1 0 546.190 4.460 50 0 KIAARO CC[NH+](CC)CCCn1c(SC(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)nc2ccccc2c1=O ZINC000098049252 554164389 /nfs/dbraw/zinc/16/43/89/554164389.db2.gz YJRBLRVPEPPREN-UHFFFAOYSA-N 1 0 571.747 4.222 50 0 KIAARO COc1cccc2cc(-c3csc(NC(=O)CCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)n3)c(=O)oc21 ZINC000098049263 554164384 /nfs/dbraw/zinc/16/43/84/554164384.db2.gz DWQIADUSZXSSBH-UHFFFAOYSA-N 1 0 546.649 4.425 50 0 KIAARO O=C(CSc1nc2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccccc1 ZINC000098049455 554166306 /nfs/dbraw/zinc/16/63/06/554166306.db2.gz FXXJKTXAKMNHCB-DEOSSOPVSA-N 1 0 548.709 4.156 50 0 KIAARO O=C(CSc1nc2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2c(=O)n1C[C@H]1CCCO1)c1ccccc1 ZINC000098049456 554166311 /nfs/dbraw/zinc/16/63/11/554166311.db2.gz FXXJKTXAKMNHCB-XMMPIXPASA-N 1 0 548.709 4.156 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050164 554172586 /nfs/dbraw/zinc/17/25/86/554172586.db2.gz RKBBAQODQPYXAD-LOYHVIPDSA-N 1 0 544.671 4.069 50 0 KIAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050165 554172610 /nfs/dbraw/zinc/17/26/10/554172610.db2.gz RKBBAQODQPYXAD-XZWHSSHBSA-N 1 0 544.671 4.069 50 0 KIAARO COc1ccc([C@H]2[C@H](C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050166 554172619 /nfs/dbraw/zinc/17/26/19/554172619.db2.gz RKBBAQODQPYXAD-IHLOFXLRSA-N 1 0 544.671 4.069 50 0 KIAARO COc1ccc([C@H]2[C@@H](C(=O)NCCCN3CC[NH+](C)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000098050167 554172630 /nfs/dbraw/zinc/17/26/30/554172630.db2.gz RKBBAQODQPYXAD-KYJUHHDHSA-N 1 0 544.671 4.069 50 0 KIAARO COc1cc(C(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000100001478 554177447 /nfs/dbraw/zinc/17/74/47/554177447.db2.gz PMSZKEWYXKCPRO-UHFFFAOYSA-N 1 0 552.693 4.423 50 0 KIAARO O=C(NC1CCC(CC2CCC(NC(=O)N3CCN(c4ccccn4)CC3)CC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000100021274 554182020 /nfs/dbraw/zinc/18/20/20/554182020.db2.gz MFZFHMUKPPIBJE-UHFFFAOYSA-N 1 0 588.801 4.348 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100122632 554224693 /nfs/dbraw/zinc/22/46/93/554224693.db2.gz KUJOIVIWNRGGNW-YXMNTCDSSA-N 1 0 529.637 4.094 50 0 KIAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]21 ZINC000100145340 554230411 /nfs/dbraw/zinc/23/04/11/554230411.db2.gz RAJVZILTUPWMMI-YXMNTCDSSA-N 1 0 543.023 4.228 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000100164805 554236264 /nfs/dbraw/zinc/23/62/64/554236264.db2.gz XRBHBAWULXUMMS-AIKBEYBBSA-N 1 0 515.610 4.099 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@@]32c3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000100164830 554236250 /nfs/dbraw/zinc/23/62/50/554236250.db2.gz JSPMUFWEVAPLAK-YFUMRVTCSA-N 1 0 554.622 4.350 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100164839 554236141 /nfs/dbraw/zinc/23/61/41/554236141.db2.gz NRQARPPRNCHLID-YXMNTCDSSA-N 1 0 529.637 4.094 50 0 KIAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1cccc(Br)c1 ZINC000100520679 554409239 /nfs/dbraw/zinc/40/92/39/554409239.db2.gz GTVCTKSEZAHBGP-XMMPIXPASA-N 1 0 504.428 4.488 50 0 KIAARO O=C1C[C@@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100552105 554415057 /nfs/dbraw/zinc/41/50/57/554415057.db2.gz QDDHNCBFPGLWBA-XMMPIXPASA-N 1 0 551.428 4.330 50 0 KIAARO O=C1C[C@H](N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccc(I)cc1 ZINC000100799850 554474510 /nfs/dbraw/zinc/47/45/10/554474510.db2.gz UGBOOCVDDQUDLH-SFHVURJKSA-N 1 0 530.193 4.052 50 0 KIAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000100831176 554482617 /nfs/dbraw/zinc/48/26/17/554482617.db2.gz XJLDCWVQDADDCO-KVAXISOYSA-N 1 0 545.724 4.037 50 0 KIAARO O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000100831178 554482509 /nfs/dbraw/zinc/48/25/09/554482509.db2.gz XJLDCWVQDADDCO-SQIZSTGUSA-N 1 0 545.724 4.037 50 0 KIAARO CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000100929340 554525804 /nfs/dbraw/zinc/52/58/04/554525804.db2.gz IVFLCIHJVZVREZ-RUZDIDTESA-N 1 0 562.692 4.165 50 0 KIAARO CCN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000100929343 554525818 /nfs/dbraw/zinc/52/58/18/554525818.db2.gz IVFLCIHJVZVREZ-VWLOTQADSA-N 1 0 562.692 4.165 50 0 KIAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)N1CCC(O)CC1 ZINC000100961728 554542415 /nfs/dbraw/zinc/54/24/15/554542415.db2.gz GJIFROBKZKIHLE-RBJSKKJNSA-N 1 0 543.127 4.255 50 0 KIAARO COc1ccc([C@H](CN/C=C2\c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C2=O)[NH+](C)C)cc1 ZINC000101010822 554557874 /nfs/dbraw/zinc/55/78/74/554557874.db2.gz XDXQMEIAHJBPFV-NJXRFNICSA-N 1 0 501.583 4.133 50 0 KIAARO COc1ccc([C@@H](CN/C=C2\c3ccccc3C(=O)N(c3ccc(OC)c(OC)c3)C2=O)[NH+](C)C)cc1 ZINC000101010825 554557914 /nfs/dbraw/zinc/55/79/14/554557914.db2.gz XDXQMEIAHJBPFV-IMKZUMICSA-N 1 0 501.583 4.133 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@@]32c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000101023585 554562620 /nfs/dbraw/zinc/56/26/20/554562620.db2.gz XGPUBBOSRCBOTK-FPZUYOOISA-N 1 0 566.658 4.008 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](CC(C)C)[NH2+][C@]32c3ccccc3N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 ZINC000101023589 554562626 /nfs/dbraw/zinc/56/26/26/554562626.db2.gz XGPUBBOSRCBOTK-BQFRAMASSA-N 1 0 566.658 4.008 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000101047360 554568415 /nfs/dbraw/zinc/56/84/15/554568415.db2.gz ADOKNZFISOBTEU-SANMLTNESA-N 1 0 537.705 4.464 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000101047363 554568431 /nfs/dbraw/zinc/56/84/31/554568431.db2.gz ADOKNZFISOBTEU-AREMUKBSSA-N 1 0 537.705 4.464 50 0 KIAARO Cc1cccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2ccc(F)cc2)c1 ZINC000101047371 554568442 /nfs/dbraw/zinc/56/84/42/554568442.db2.gz XEPOJYOUTGPSBK-AREMUKBSSA-N 1 0 537.705 4.464 50 0 KIAARO Cc1cccc([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2ccc(F)cc2)c1 ZINC000101047375 554568479 /nfs/dbraw/zinc/56/84/79/554568479.db2.gz XEPOJYOUTGPSBK-SANMLTNESA-N 1 0 537.705 4.464 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2cccc(F)c2)SCC1=O ZINC000101053187 554568879 /nfs/dbraw/zinc/56/88/79/554568879.db2.gz FJABTGIMELRWSM-RUZDIDTESA-N 1 0 541.668 4.295 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2cccc(F)c2)SCC1=O ZINC000101053191 554568943 /nfs/dbraw/zinc/56/89/43/554568943.db2.gz FJABTGIMELRWSM-VWLOTQADSA-N 1 0 541.668 4.295 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@@H](c2ccccc2F)SCC1=O ZINC000101054274 554569216 /nfs/dbraw/zinc/56/92/16/554569216.db2.gz MASFYRBYNOOWMQ-RUZDIDTESA-N 1 0 541.668 4.295 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(C(C)(C)C)nn2-c2ccc(F)cc2)[C@H](c2ccccc2F)SCC1=O ZINC000101054276 554569279 /nfs/dbraw/zinc/56/92/79/554569279.db2.gz MASFYRBYNOOWMQ-VWLOTQADSA-N 1 0 541.668 4.295 50 0 KIAARO CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3c[nH+]c(Nc4ccccc4)n3CCCOC(C)C)c2)CC1 ZINC000101085796 554580514 /nfs/dbraw/zinc/58/05/14/554580514.db2.gz JUASMWZXZKOZBO-UHFFFAOYSA-N 1 0 554.713 5.073 50 0 KIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000101090122 554581644 /nfs/dbraw/zinc/58/16/44/554581644.db2.gz MDPXNOBERJYHNX-QFIPXVFZSA-N 1 0 562.555 4.181 50 0 KIAARO O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)s1 ZINC000101090124 554581710 /nfs/dbraw/zinc/58/17/10/554581710.db2.gz MDPXNOBERJYHNX-JOCHJYFZSA-N 1 0 562.555 4.181 50 0 KIAARO O=C(NCc1cccc(Br)c1)c1cccn1-c1nnc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000101103062 554639234 /nfs/dbraw/zinc/63/92/34/554639234.db2.gz GYXWCFKXJHQJTF-UHFFFAOYSA-N 1 0 529.508 4.476 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108092 554640544 /nfs/dbraw/zinc/64/05/44/554640544.db2.gz PVUKVNDIGLJWON-JIXXDEQJSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108096 554640433 /nfs/dbraw/zinc/64/04/33/554640433.db2.gz PVUKVNDIGLJWON-ZLFFOLKFSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108097 554640453 /nfs/dbraw/zinc/64/04/53/554640453.db2.gz PVUKVNDIGLJWON-LIHQSLCGSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101108098 554640519 /nfs/dbraw/zinc/64/05/19/554640519.db2.gz PVUKVNDIGLJWON-IZPIQJOWSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110023 554641300 /nfs/dbraw/zinc/64/13/00/554641300.db2.gz CXZLLWJRNCACGI-JIXXDEQJSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110027 554641268 /nfs/dbraw/zinc/64/12/68/554641268.db2.gz CXZLLWJRNCACGI-ZLFFOLKFSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110031 554641320 /nfs/dbraw/zinc/64/13/20/554641320.db2.gz CXZLLWJRNCACGI-LIHQSLCGSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(C)c3C)cc1 ZINC000101110037 554641367 /nfs/dbraw/zinc/64/13/67/554641367.db2.gz CXZLLWJRNCACGI-IZPIQJOWSA-N 1 0 562.626 4.129 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111359 554641905 /nfs/dbraw/zinc/64/19/05/554641905.db2.gz IWNNBOZOHOTNLA-ZGQJUUMOSA-N 1 0 569.017 4.166 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111360 554641919 /nfs/dbraw/zinc/64/19/19/554641919.db2.gz IWNNBOZOHOTNLA-PCEYSVKOSA-N 1 0 569.017 4.166 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111362 554641889 /nfs/dbraw/zinc/64/18/89/554641889.db2.gz IWNNBOZOHOTNLA-GURVGDRESA-N 1 0 569.017 4.166 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000101111364 554641881 /nfs/dbraw/zinc/64/18/81/554641881.db2.gz IWNNBOZOHOTNLA-XZSHTLEFSA-N 1 0 569.017 4.166 50 0 KIAARO Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000101192452 554670827 /nfs/dbraw/zinc/67/08/27/554670827.db2.gz UXWFJTSFGDIKGJ-UHFFFAOYSA-N 1 0 542.728 4.186 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000101192911 554671316 /nfs/dbraw/zinc/67/13/16/554671316.db2.gz ALMUYIRFABRZLY-CZNDPXEESA-N 1 0 579.745 4.419 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000101192914 554671384 /nfs/dbraw/zinc/67/13/84/554671384.db2.gz ALMUYIRFABRZLY-SAIUNTKASA-N 1 0 579.745 4.419 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1c[nH]c2ccccc21 ZINC000101192917 554671344 /nfs/dbraw/zinc/67/13/44/554671344.db2.gz ALMUYIRFABRZLY-JHOUSYSJSA-N 1 0 579.745 4.419 50 0 KIAARO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1c[nH]c2ccccc21 ZINC000101192919 554671392 /nfs/dbraw/zinc/67/13/92/554671392.db2.gz ALMUYIRFABRZLY-LQJZCPKCSA-N 1 0 579.745 4.419 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1 ZINC000101193831 554671583 /nfs/dbraw/zinc/67/15/83/554671583.db2.gz KPZJSMMTQZODKU-UHFFFAOYSA-N 1 0 565.166 4.059 50 0 KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204120 554674025 /nfs/dbraw/zinc/67/40/25/554674025.db2.gz MUBWPBGYQQLPMB-AXGKCNHXSA-N 1 0 591.152 4.400 50 0 biogenic KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204123 554674034 /nfs/dbraw/zinc/67/40/34/554674034.db2.gz MUBWPBGYQQLPMB-BIRRFFDLSA-N 1 0 591.152 4.400 50 0 biogenic KIAARO C[N@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204164 554674233 /nfs/dbraw/zinc/67/42/33/554674233.db2.gz PDYMRDSGTMGWTR-FEAJSZFMSA-N 1 0 577.125 4.010 50 0 biogenic KIAARO C[N@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204168 554674255 /nfs/dbraw/zinc/67/42/55/554674255.db2.gz PDYMRDSGTMGWTR-VXRLQYQGSA-N 1 0 577.125 4.010 50 0 biogenic KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101204224 554674262 /nfs/dbraw/zinc/67/42/62/554674262.db2.gz ZGRFVVVGILZLPQ-URAJONJJSA-N 1 0 557.135 4.000 50 0 biogenic KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101204229 554674277 /nfs/dbraw/zinc/67/42/77/554674277.db2.gz ZGRFVVVGILZLPQ-SJNNHYBDSA-N 1 0 557.135 4.000 50 0 biogenic KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204631 554674747 /nfs/dbraw/zinc/67/47/47/554674747.db2.gz JEFXBZJBOFRCTM-AXGKCNHXSA-N 1 0 591.152 4.400 50 0 biogenic KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101204635 554674739 /nfs/dbraw/zinc/67/47/39/554674739.db2.gz JEFXBZJBOFRCTM-BIRRFFDLSA-N 1 0 591.152 4.400 50 0 biogenic KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101205312 554675276 /nfs/dbraw/zinc/67/52/76/554675276.db2.gz ZQWVGLDRLIAEND-QRHBHCOUSA-N 1 0 586.733 4.359 50 0 biogenic KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101205317 554675269 /nfs/dbraw/zinc/67/52/69/554675269.db2.gz ZQWVGLDRLIAEND-LNVHHCMDSA-N 1 0 586.733 4.359 50 0 biogenic KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101206025 554676057 /nfs/dbraw/zinc/67/60/57/554676057.db2.gz QGTPYAFXZQQBLP-URAJONJJSA-N 1 0 601.586 4.109 50 0 biogenic KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101206030 554676018 /nfs/dbraw/zinc/67/60/18/554676018.db2.gz QGTPYAFXZQQBLP-SJNNHYBDSA-N 1 0 601.586 4.109 50 0 biogenic KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101206709 554676423 /nfs/dbraw/zinc/67/64/23/554676423.db2.gz UMVRXOKSMAWCGK-KBBGZRRDSA-N 1 0 571.162 4.308 50 0 biogenic KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000101206714 554676387 /nfs/dbraw/zinc/67/63/87/554676387.db2.gz UMVRXOKSMAWCGK-YQXAMQIPSA-N 1 0 571.162 4.308 50 0 biogenic KIAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000101207997 554677345 /nfs/dbraw/zinc/67/73/45/554677345.db2.gz AQBBVQDWUMTMJM-MWMDNXTRSA-N 1 0 580.795 4.211 50 0 biogenic KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216200 554682877 /nfs/dbraw/zinc/68/28/77/554682877.db2.gz BSYTWOPNHKXWEW-HSZRJFAPSA-N 1 0 578.566 4.361 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(OC)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101216204 554682887 /nfs/dbraw/zinc/68/28/87/554682887.db2.gz BSYTWOPNHKXWEW-QHCPKHFHSA-N 1 0 578.566 4.361 50 0 KIAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000101216221 554682842 /nfs/dbraw/zinc/68/28/42/554682842.db2.gz MYTFQUAUPWMONO-JOCHJYFZSA-N 1 0 608.990 4.080 50 0 KIAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](C)CC3)C2=S)cc1Cl ZINC000101216226 554682929 /nfs/dbraw/zinc/68/29/29/554682929.db2.gz MYTFQUAUPWMONO-QFIPXVFZSA-N 1 0 608.990 4.080 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216357 554683336 /nfs/dbraw/zinc/68/33/36/554683336.db2.gz ZPKMLNGAGSOFNS-AREMUKBSSA-N 1 0 572.175 4.487 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216363 554683440 /nfs/dbraw/zinc/68/34/40/554683440.db2.gz ZPKMLNGAGSOFNS-SANMLTNESA-N 1 0 572.175 4.487 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216403 554683735 /nfs/dbraw/zinc/68/37/35/554683735.db2.gz WZANEHKHUOWTNV-MUUNZHRXSA-N 1 0 609.793 4.011 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216406 554683670 /nfs/dbraw/zinc/68/36/70/554683670.db2.gz WZANEHKHUOWTNV-NDEPHWFRSA-N 1 0 609.793 4.011 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216451 554683647 /nfs/dbraw/zinc/68/36/47/554683647.db2.gz YVQLYDVLVHKSCZ-RUZDIDTESA-N 1 0 558.148 4.097 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216455 554683681 /nfs/dbraw/zinc/68/36/81/554683681.db2.gz YVQLYDVLVHKSCZ-VWLOTQADSA-N 1 0 558.148 4.097 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCCCC3)C2=S)cc1 ZINC000101216526 554683976 /nfs/dbraw/zinc/68/39/76/554683976.db2.gz SHQBKRDRPDDUQR-AREMUKBSSA-N 1 0 566.724 4.469 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CCC[NH+]3CCCCC3)C2=S)cc1 ZINC000101216534 554684059 /nfs/dbraw/zinc/68/40/59/554684059.db2.gz SHQBKRDRPDDUQR-SANMLTNESA-N 1 0 566.724 4.469 50 0 KIAARO COC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101216598 554684162 /nfs/dbraw/zinc/68/41/62/554684162.db2.gz WOPCQXPPKWGFNG-PMERELPUSA-N 1 0 629.783 4.021 50 0 KIAARO COC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101216603 554684292 /nfs/dbraw/zinc/68/42/92/554684292.db2.gz WOPCQXPPKWGFNG-SSEXGKCCSA-N 1 0 629.783 4.021 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216644 554684212 /nfs/dbraw/zinc/68/42/12/554684212.db2.gz DVCUQWDSQYDESW-RUZDIDTESA-N 1 0 558.148 4.097 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101216650 554684324 /nfs/dbraw/zinc/68/43/24/554684324.db2.gz DVCUQWDSQYDESW-VWLOTQADSA-N 1 0 558.148 4.097 50 0 KIAARO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216709 554684328 /nfs/dbraw/zinc/68/43/28/554684328.db2.gz LLVNHLRDMWFHPF-RUZDIDTESA-N 1 0 558.148 4.097 50 0 KIAARO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216713 554684562 /nfs/dbraw/zinc/68/45/62/554684562.db2.gz LLVNHLRDMWFHPF-VWLOTQADSA-N 1 0 558.148 4.097 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216725 554684459 /nfs/dbraw/zinc/68/44/59/554684459.db2.gz FAXWRVCPUZZCHA-XMMPIXPASA-N 1 0 578.566 4.361 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000101216729 554684583 /nfs/dbraw/zinc/68/45/83/554684583.db2.gz FAXWRVCPUZZCHA-DEOSSOPVSA-N 1 0 578.566 4.361 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216745 554684545 /nfs/dbraw/zinc/68/45/45/554684545.db2.gz OXPJWIJPZRABJM-AREMUKBSSA-N 1 0 572.175 4.487 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CC[NH+](CC)CC2)cc1 ZINC000101216746 554684525 /nfs/dbraw/zinc/68/45/25/554684525.db2.gz OXPJWIJPZRABJM-SANMLTNESA-N 1 0 572.175 4.487 50 0 KIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(O)c3cc(Br)ccc3NC(=O)N2c2c(F)cccc2F)C1 ZINC000101233167 554689687 /nfs/dbraw/zinc/68/96/87/554689687.db2.gz INYTZFBTLRHGKR-WHEFHEQHSA-N 1 0 551.432 4.409 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000101233172 554689622 /nfs/dbraw/zinc/68/96/22/554689622.db2.gz IBYZYYYSRLEXCR-DLEQGYHRSA-N 1 0 575.504 4.148 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@H](C)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000101233259 554689570 /nfs/dbraw/zinc/68/95/70/554689570.db2.gz XCGMRIHIPWKVQA-XRHLQHRESA-N 1 0 575.504 4.148 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC[C@@H](C)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000101233260 554689563 /nfs/dbraw/zinc/68/95/63/554689563.db2.gz XCGMRIHIPWKVQA-DNOBIOAJSA-N 1 0 575.504 4.148 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@H](C)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000101233266 554689610 /nfs/dbraw/zinc/68/96/10/554689610.db2.gz XCGMRIHIPWKVQA-MYUZEXMDSA-N 1 0 575.504 4.148 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC[C@@H](C)C[NH+]2CCC(C)CC2)c(OC)c1 ZINC000101233271 554689676 /nfs/dbraw/zinc/68/96/76/554689676.db2.gz XCGMRIHIPWKVQA-CLYVBNDRSA-N 1 0 575.504 4.148 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000101235290 554690714 /nfs/dbraw/zinc/69/07/14/554690714.db2.gz OXKILGWSPVMTEL-HBTXSTMGSA-N 1 0 553.700 4.402 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235309 554690638 /nfs/dbraw/zinc/69/06/38/554690638.db2.gz VRACALNQPUJABJ-ZQPOIVLLSA-N 1 0 553.700 4.116 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235316 554690693 /nfs/dbraw/zinc/69/06/93/554690693.db2.gz VRACALNQPUJABJ-UGOBFYTOSA-N 1 0 553.700 4.116 50 0 KIAARO COc1ccc([C@@H]2[C@H](C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000101235321 554690720 /nfs/dbraw/zinc/69/07/20/554690720.db2.gz VRACALNQPUJABJ-MDWCQYQUSA-N 1 0 553.700 4.116 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254103 554694444 /nfs/dbraw/zinc/69/44/44/554694444.db2.gz DUQSTNGEOIRHBI-DEOSSOPVSA-N 1 0 540.661 4.065 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254106 554694495 /nfs/dbraw/zinc/69/44/95/554694495.db2.gz DUQSTNGEOIRHBI-XMMPIXPASA-N 1 0 540.661 4.065 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OCC)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254109 554694431 /nfs/dbraw/zinc/69/44/31/554694431.db2.gz LDFWOBRNBDTZAS-AREMUKBSSA-N 1 0 566.724 4.325 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OCC)cc3)N(CC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101254111 554694438 /nfs/dbraw/zinc/69/44/38/554694438.db2.gz LDFWOBRNBDTZAS-SANMLTNESA-N 1 0 566.724 4.325 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254113 554694510 /nfs/dbraw/zinc/69/45/10/554694510.db2.gz PIPIHVBUMRLFJY-AREMUKBSSA-N 1 0 594.734 4.103 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254117 554694723 /nfs/dbraw/zinc/69/47/23/554694723.db2.gz PIPIHVBUMRLFJY-SANMLTNESA-N 1 0 594.734 4.103 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254150 554694709 /nfs/dbraw/zinc/69/47/09/554694709.db2.gz CSVNXXNUXYIRAB-SANMLTNESA-N 1 0 566.724 4.325 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254153 554694689 /nfs/dbraw/zinc/69/46/89/554694689.db2.gz CSVNXXNUXYIRAB-AREMUKBSSA-N 1 0 566.724 4.325 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254176 554694634 /nfs/dbraw/zinc/69/46/34/554694634.db2.gz GTNBVTDQWKDBNR-RUZDIDTESA-N 1 0 536.698 4.235 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254178 554694625 /nfs/dbraw/zinc/69/46/25/554694625.db2.gz GTNBVTDQWKDBNR-VWLOTQADSA-N 1 0 536.698 4.235 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254193 554694699 /nfs/dbraw/zinc/69/46/99/554694699.db2.gz QOCQMDGVUQCYSB-HSZRJFAPSA-N 1 0 545.105 4.420 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101254197 554694727 /nfs/dbraw/zinc/69/47/27/554694727.db2.gz QOCQMDGVUQCYSB-QHCPKHFHSA-N 1 0 545.105 4.420 50 0 KIAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254750 554695485 /nfs/dbraw/zinc/69/54/85/554695485.db2.gz NIIOHHZATHBCKS-RUZDIDTESA-N 1 0 558.148 4.097 50 0 KIAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254752 554695506 /nfs/dbraw/zinc/69/55/06/554695506.db2.gz NIIOHHZATHBCKS-VWLOTQADSA-N 1 0 558.148 4.097 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254761 554695584 /nfs/dbraw/zinc/69/55/84/554695584.db2.gz RKFPWPOIBJTEAZ-HSZRJFAPSA-N 1 0 548.540 4.352 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254764 554695594 /nfs/dbraw/zinc/69/55/94/554695594.db2.gz RKFPWPOIBJTEAZ-QHCPKHFHSA-N 1 0 548.540 4.352 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254775 554695523 /nfs/dbraw/zinc/69/55/23/554695523.db2.gz UTWPEOQUSZNPOP-HSZRJFAPSA-N 1 0 548.540 4.352 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3cccc(Cl)c3)C(=O)[C@@H]2CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000101254780 554695479 /nfs/dbraw/zinc/69/54/79/554695479.db2.gz UTWPEOQUSZNPOP-QHCPKHFHSA-N 1 0 548.540 4.352 50 0 KIAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254918 554695807 /nfs/dbraw/zinc/69/58/07/554695807.db2.gz SGZKCOHKIXWUJP-JOCHJYFZSA-N 1 0 578.964 4.071 50 0 KIAARO C[NH+]1CCN(CCCN2C(=S)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254921 554695888 /nfs/dbraw/zinc/69/58/88/554695888.db2.gz SGZKCOHKIXWUJP-QFIPXVFZSA-N 1 0 578.964 4.071 50 0 KIAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254956 554696288 /nfs/dbraw/zinc/69/62/88/554696288.db2.gz KZIXVHHSHJOLSZ-RUZDIDTESA-N 1 0 602.599 4.206 50 0 KIAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Br)cc3)N(CCCN3CC[NH+](CC)CC3)C2=S)cc1 ZINC000101254958 554696095 /nfs/dbraw/zinc/69/60/95/554696095.db2.gz KZIXVHHSHJOLSZ-VWLOTQADSA-N 1 0 602.599 4.206 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254959 554696131 /nfs/dbraw/zinc/69/61/31/554696131.db2.gz KLFFCMOFLHBWAU-XMMPIXPASA-N 1 0 572.573 4.116 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=S)N(c3ccc(C)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000101254961 554696279 /nfs/dbraw/zinc/69/62/79/554696279.db2.gz KLFFCMOFLHBWAU-DEOSSOPVSA-N 1 0 572.573 4.116 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101254999 554696126 /nfs/dbraw/zinc/69/61/26/554696126.db2.gz XJHRUPOIPFKVST-SSEXGKCCSA-N 1 0 601.773 4.243 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255001 554696085 /nfs/dbraw/zinc/69/60/85/554696085.db2.gz XJHRUPOIPFKVST-PMERELPUSA-N 1 0 601.773 4.243 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255022 554696101 /nfs/dbraw/zinc/69/61/01/554696101.db2.gz WVTUNMVRPPYFNK-GDLZYMKVSA-N 1 0 589.737 4.373 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255024 554696121 /nfs/dbraw/zinc/69/61/21/554696121.db2.gz WVTUNMVRPPYFNK-LJAQVGFWSA-N 1 0 589.737 4.373 50 0 KIAARO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255117 554696207 /nfs/dbraw/zinc/69/62/07/554696207.db2.gz MYOFLYAGCCSJFZ-LJAQVGFWSA-N 1 0 589.737 4.373 50 0 KIAARO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000101255120 554696545 /nfs/dbraw/zinc/69/65/45/554696545.db2.gz MYOFLYAGCCSJFZ-GDLZYMKVSA-N 1 0 589.737 4.373 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101255322 554696437 /nfs/dbraw/zinc/69/64/37/554696437.db2.gz RYRFNSLEMPRRNC-SANMLTNESA-N 1 0 566.724 4.325 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCC[NH+]3CCC(C)CC3)C2=S)cc1 ZINC000101255328 554696462 /nfs/dbraw/zinc/69/64/62/554696462.db2.gz RYRFNSLEMPRRNC-AREMUKBSSA-N 1 0 566.724 4.325 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101255375 554696530 /nfs/dbraw/zinc/69/65/30/554696530.db2.gz SRTWTDPZJNGNCL-AREMUKBSSA-N 1 0 569.797 4.166 50 0 KIAARO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CC[NH+](C)CC2)cc1 ZINC000101255380 554696468 /nfs/dbraw/zinc/69/64/68/554696468.db2.gz SRTWTDPZJNGNCL-SANMLTNESA-N 1 0 569.797 4.166 50 0 KIAARO COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255408 554696778 /nfs/dbraw/zinc/69/67/78/554696778.db2.gz ZSDBVOLTVUEAGG-SSEXGKCCSA-N 1 0 601.773 4.243 50 0 KIAARO COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000101255410 554696709 /nfs/dbraw/zinc/69/67/09/554696709.db2.gz ZSDBVOLTVUEAGG-PMERELPUSA-N 1 0 601.773 4.243 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101255479 554696717 /nfs/dbraw/zinc/69/67/17/554696717.db2.gz XETAODNTPQQOEI-XMMPIXPASA-N 1 0 540.661 4.065 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CC[NH+]2CCC(C)CC2)cc1 ZINC000101255482 554696704 /nfs/dbraw/zinc/69/67/04/554696704.db2.gz XETAODNTPQQOEI-DEOSSOPVSA-N 1 0 540.661 4.065 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000101255600 554696696 /nfs/dbraw/zinc/69/66/96/554696696.db2.gz LLGRGHGTDROHGZ-XMMPIXPASA-N 1 0 540.661 4.209 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCCCC2)cc1 ZINC000101255603 554696787 /nfs/dbraw/zinc/69/67/87/554696787.db2.gz LLGRGHGTDROHGZ-DEOSSOPVSA-N 1 0 540.661 4.209 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000101268619 554700041 /nfs/dbraw/zinc/70/00/41/554700041.db2.gz AXXRNXZNHIKZKT-IMBSWCNGSA-N 1 0 530.506 4.354 50 0 KIAARO O=C(Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)Nc1ccccc1F ZINC000101304968 554714816 /nfs/dbraw/zinc/71/48/16/554714816.db2.gz IDEPOKJELRJJBN-UHFFFAOYSA-N 1 0 619.697 4.384 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000101305339 554715068 /nfs/dbraw/zinc/71/50/68/554715068.db2.gz KPNUBYMJBXRNHR-CQAGSAPUSA-N 1 0 526.351 4.006 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000101305346 554715055 /nfs/dbraw/zinc/71/50/55/554715055.db2.gz KPNUBYMJBXRNHR-MSZDEVHKSA-N 1 0 526.351 4.006 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000101305352 554715100 /nfs/dbraw/zinc/71/51/00/554715100.db2.gz KPNUBYMJBXRNHR-ZUVQJFRASA-N 1 0 526.351 4.006 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1ccc(O)cc1)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000101305360 554715073 /nfs/dbraw/zinc/71/50/73/554715073.db2.gz KPNUBYMJBXRNHR-IMIIHFCZSA-N 1 0 526.351 4.006 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101318285 554725478 /nfs/dbraw/zinc/72/54/78/554725478.db2.gz HPBWSWGNTHYBCS-UHFFFAOYSA-N 1 0 547.725 4.313 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101318293 554725433 /nfs/dbraw/zinc/72/54/33/554725433.db2.gz OTRWCVHEIYQNCP-UHFFFAOYSA-N 1 0 565.662 4.179 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101318463 554725397 /nfs/dbraw/zinc/72/53/97/554725397.db2.gz KXPMZLVUVFKFDB-UHFFFAOYSA-N 1 0 565.715 4.452 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000101322861 554728406 /nfs/dbraw/zinc/72/84/06/554728406.db2.gz LCPOLMISXRRZDP-SODQHWRNSA-N 1 0 525.008 4.293 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000101322862 554728479 /nfs/dbraw/zinc/72/84/79/554728479.db2.gz LCPOLMISXRRZDP-YDXRHMNESA-N 1 0 525.008 4.293 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000101322864 554728482 /nfs/dbraw/zinc/72/84/82/554728482.db2.gz LCPOLMISXRRZDP-ZRIOWSNCSA-N 1 0 525.008 4.293 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000101322866 554728470 /nfs/dbraw/zinc/72/84/70/554728470.db2.gz LCPOLMISXRRZDP-ZASNTINBSA-N 1 0 525.008 4.293 50 0 KIAARO COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1Cl ZINC000101329936 554730610 /nfs/dbraw/zinc/73/06/10/554730610.db2.gz CGWMPDDWXKFSEQ-UHFFFAOYSA-N 1 0 618.134 4.025 50 0 KIAARO Cc1ccc(Cl)cc1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000101329938 554730679 /nfs/dbraw/zinc/73/06/79/554730679.db2.gz QTNVXSGDWYZDKM-UHFFFAOYSA-N 1 0 602.135 4.325 50 0 KIAARO Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000101330346 554731242 /nfs/dbraw/zinc/73/12/42/554731242.db2.gz DSEYBIILJUGQGY-UHFFFAOYSA-N 1 0 538.692 4.471 50 0 KIAARO Cc1ccc(Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c2=O)cc1 ZINC000101330523 554731262 /nfs/dbraw/zinc/73/12/62/554731262.db2.gz RISUELBYVNGUON-UHFFFAOYSA-N 1 0 538.692 4.471 50 0 KIAARO O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000101330612 554731228 /nfs/dbraw/zinc/73/12/28/554731228.db2.gz ANFRUCYTDWDNJE-UHFFFAOYSA-N 1 0 545.083 4.426 50 0 KIAARO CN(C(=O)Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O)c1ccccc1 ZINC000101330763 554731526 /nfs/dbraw/zinc/73/15/26/554731526.db2.gz IXQZWZXIAJFUGA-UHFFFAOYSA-N 1 0 615.734 4.269 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101334322 554734098 /nfs/dbraw/zinc/73/40/98/554734098.db2.gz XDGSTTCWBIMYJD-DFIMXKNXSA-N 1 0 532.934 4.267 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101334325 554734123 /nfs/dbraw/zinc/73/41/23/554734123.db2.gz XDGSTTCWBIMYJD-IMBSWCNGSA-N 1 0 532.934 4.267 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101334330 554734145 /nfs/dbraw/zinc/73/41/45/554734145.db2.gz XDGSTTCWBIMYJD-QUIZSENMSA-N 1 0 532.934 4.267 50 0 KIAARO O=C1Nc2ccc(F)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000101334333 554734139 /nfs/dbraw/zinc/73/41/39/554734139.db2.gz XDGSTTCWBIMYJD-NLJXWPIHSA-N 1 0 532.934 4.267 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341119 554735430 /nfs/dbraw/zinc/73/54/30/554735430.db2.gz UKBSDEYLFHLDAP-AREMUKBSSA-N 1 0 548.105 4.411 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341122 554735323 /nfs/dbraw/zinc/73/53/23/554735323.db2.gz UKBSDEYLFHLDAP-SANMLTNESA-N 1 0 548.105 4.411 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341144 554735558 /nfs/dbraw/zinc/73/55/58/554735558.db2.gz HBXAYFNOZIWAFP-AREMUKBSSA-N 1 0 530.115 4.272 50 0 KIAARO O=C(CC[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101341146 554735676 /nfs/dbraw/zinc/73/56/76/554735676.db2.gz HBXAYFNOZIWAFP-SANMLTNESA-N 1 0 530.115 4.272 50 0 KIAARO Cn1c2nc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(Cc3c(F)cccc3Cl)c2c(=O)n(C)c1=O ZINC000101341285 554735634 /nfs/dbraw/zinc/73/56/34/554735634.db2.gz HGILZKASXXQVRY-UHFFFAOYSA-N 1 0 587.099 4.182 50 0 KIAARO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3cccnc3)C[C@@H]2CCC(=O)NCCc2cccc(F)c2)CC1 ZINC000101345673 554737318 /nfs/dbraw/zinc/73/73/18/554737318.db2.gz XOFOYNHAYYJQKB-MFMCTBQISA-N 1 0 559.730 4.381 50 0 KIAARO CCOCCCNC(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101345851 554737414 /nfs/dbraw/zinc/73/74/14/554737414.db2.gz GKFPSZRTAQOYDX-LBNVMWSVSA-N 1 0 561.693 4.436 50 0 KIAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352200 554738468 /nfs/dbraw/zinc/73/84/68/554738468.db2.gz CEVAVFLAJQEJNH-CZNDPXEESA-N 1 0 582.745 4.255 50 0 KIAARO CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352203 554738519 /nfs/dbraw/zinc/73/85/19/554738519.db2.gz CEVAVFLAJQEJNH-SAIUNTKASA-N 1 0 582.745 4.255 50 0 KIAARO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352206 554738529 /nfs/dbraw/zinc/73/85/29/554738529.db2.gz CEVAVFLAJQEJNH-JHOUSYSJSA-N 1 0 582.745 4.255 50 0 KIAARO CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N1CC2 ZINC000101352208 554738549 /nfs/dbraw/zinc/73/85/49/554738549.db2.gz CEVAVFLAJQEJNH-LQJZCPKCSA-N 1 0 582.745 4.255 50 0 KIAARO C[NH+](C)CCNC(=O)[C@@H]1[C@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000101358248 554741301 /nfs/dbraw/zinc/74/13/01/554741301.db2.gz UDVGIGCJLZILQV-DQEYMECFSA-N 1 0 539.007 4.471 50 0 KIAARO C[NH+](C)CCNC(=O)[C@H]1[C@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000101358252 554741305 /nfs/dbraw/zinc/74/13/05/554741305.db2.gz UDVGIGCJLZILQV-RPBOFIJWSA-N 1 0 539.007 4.471 50 0 KIAARO C[NH+](C)CCNC(=O)[C@@H]1[C@@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000101358256 554741352 /nfs/dbraw/zinc/74/13/52/554741352.db2.gz UDVGIGCJLZILQV-LOSJGSFVSA-N 1 0 539.007 4.471 50 0 KIAARO C[NH+](C)CCNC(=O)[C@H]1[C@@H](c2cccc(NC(=O)c3ccccc3F)c2)OC(=O)N1Cc1cccc(Cl)c1 ZINC000101358262 554741312 /nfs/dbraw/zinc/74/13/12/554741312.db2.gz UDVGIGCJLZILQV-JWQCQUIFSA-N 1 0 539.007 4.471 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2cccc(Nc3nc4ccccc4n4nnnc34)c2)CC1 ZINC000101360852 554742490 /nfs/dbraw/zinc/74/24/90/554742490.db2.gz XPWUBWLIBRYISX-UHFFFAOYSA-N 1 0 556.074 4.320 50 0 KIAARO Cc1ccc(Cl)cc1N1CC[NH+](CCCNC(=O)c2ccc(Nc3nc4ccccc4n4nnnc34)cc2)CC1 ZINC000101361667 554743222 /nfs/dbraw/zinc/74/32/22/554743222.db2.gz BZNPTESNRWLVMK-UHFFFAOYSA-N 1 0 556.074 4.320 50 0 KIAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)c1 ZINC000101385755 554750229 /nfs/dbraw/zinc/75/02/29/554750229.db2.gz UICXMOJGEHYBAG-SODQHWRNSA-N 1 0 541.007 4.306 50 0 KIAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)c1 ZINC000101385759 554750242 /nfs/dbraw/zinc/75/02/42/554750242.db2.gz UICXMOJGEHYBAG-YDXRHMNESA-N 1 0 541.007 4.306 50 0 KIAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)c1 ZINC000101385767 554750247 /nfs/dbraw/zinc/75/02/47/554750247.db2.gz UICXMOJGEHYBAG-ZRIOWSNCSA-N 1 0 541.007 4.306 50 0 KIAARO COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)c1 ZINC000101385771 554750206 /nfs/dbraw/zinc/75/02/06/554750206.db2.gz UICXMOJGEHYBAG-ZASNTINBSA-N 1 0 541.007 4.306 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101385789 554750270 /nfs/dbraw/zinc/75/02/70/554750270.db2.gz MUHQFPCAVDRUGG-CPBHOCDRSA-N 1 0 598.457 4.057 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101385793 554750284 /nfs/dbraw/zinc/75/02/84/554750284.db2.gz MUHQFPCAVDRUGG-YTEUAAESSA-N 1 0 598.457 4.057 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101385796 554750202 /nfs/dbraw/zinc/75/02/02/554750202.db2.gz MUHQFPCAVDRUGG-YRIIQKNPSA-N 1 0 598.457 4.057 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101385800 554750253 /nfs/dbraw/zinc/75/02/53/554750253.db2.gz MUHQFPCAVDRUGG-TUAOVVRQSA-N 1 0 598.457 4.057 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000101385972 554750745 /nfs/dbraw/zinc/75/07/45/554750745.db2.gz ONXUJEBNLUXEGI-XZSHTLEFSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000101385977 554750765 /nfs/dbraw/zinc/75/07/65/554750765.db2.gz ONXUJEBNLUXEGI-GURVGDRESA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000101385983 554750730 /nfs/dbraw/zinc/75/07/30/554750730.db2.gz ONXUJEBNLUXEGI-PCEYSVKOSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2ccc(Cl)c3C)cc1 ZINC000101385986 554750720 /nfs/dbraw/zinc/75/07/20/554750720.db2.gz ONXUJEBNLUXEGI-ZGQJUUMOSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000101386632 554752451 /nfs/dbraw/zinc/75/24/51/554752451.db2.gz OYJUFBBZMZEATQ-XZSHTLEFSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000101386634 554752504 /nfs/dbraw/zinc/75/25/04/554752504.db2.gz OYJUFBBZMZEATQ-GURVGDRESA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000101386637 554752468 /nfs/dbraw/zinc/75/24/68/554752468.db2.gz OYJUFBBZMZEATQ-PCEYSVKOSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(Cl)cc3C)cc1 ZINC000101386643 554752439 /nfs/dbraw/zinc/75/24/39/554752439.db2.gz OYJUFBBZMZEATQ-ZGQJUUMOSA-N 1 0 568.033 4.256 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000101386731 554752814 /nfs/dbraw/zinc/75/28/14/554752814.db2.gz WYVBUZAMEMZAKD-MUUNZHRXSA-N 1 0 619.763 4.206 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000101386733 554752810 /nfs/dbraw/zinc/75/28/10/554752810.db2.gz WYVBUZAMEMZAKD-NDEPHWFRSA-N 1 0 619.763 4.206 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)cc1 ZINC000101386737 554752771 /nfs/dbraw/zinc/75/27/71/554752771.db2.gz VYMOXVHUJBMTQL-NDEPHWFRSA-N 1 0 589.737 4.197 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000101386741 554752719 /nfs/dbraw/zinc/75/27/19/554752719.db2.gz XCISIXGKZSBHQC-MUUNZHRXSA-N 1 0 601.773 4.067 50 0 KIAARO COc1ccc(NC(=O)C2(N(Cc3ccccc3)C(=O)CN3C[C@@H](c4ccccc4)NC3=S)CC[NH+](C)CC2)c(OC)c1 ZINC000101386744 554752751 /nfs/dbraw/zinc/75/27/51/554752751.db2.gz XCISIXGKZSBHQC-NDEPHWFRSA-N 1 0 601.773 4.067 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101386922 554752744 /nfs/dbraw/zinc/75/27/44/554752744.db2.gz HQODYDJRYVLUFU-GBXYDCMPSA-N 1 0 571.431 4.107 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101386927 554752948 /nfs/dbraw/zinc/75/29/48/554752948.db2.gz HQODYDJRYVLUFU-ANARSLNQSA-N 1 0 571.431 4.107 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101386934 554752946 /nfs/dbraw/zinc/75/29/46/554752946.db2.gz HQODYDJRYVLUFU-APSVEGKFSA-N 1 0 571.431 4.107 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000101386938 554752906 /nfs/dbraw/zinc/75/29/06/554752906.db2.gz HQODYDJRYVLUFU-JLMYGFKKSA-N 1 0 571.431 4.107 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000101387483 554753435 /nfs/dbraw/zinc/75/34/35/554753435.db2.gz IQWTVADUAHSFGN-DFIMXKNXSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000101387489 554753395 /nfs/dbraw/zinc/75/33/95/554753395.db2.gz IQWTVADUAHSFGN-IMBSWCNGSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000101387494 554753444 /nfs/dbraw/zinc/75/34/44/554753444.db2.gz IQWTVADUAHSFGN-QUIZSENMSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000101387503 554753370 /nfs/dbraw/zinc/75/33/70/554753370.db2.gz IQWTVADUAHSFGN-NLJXWPIHSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000101388264 554753591 /nfs/dbraw/zinc/75/35/91/554753591.db2.gz GJDSWAZDBJLAHQ-QUIZSENMSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000101388268 554753683 /nfs/dbraw/zinc/75/36/83/554753683.db2.gz GJDSWAZDBJLAHQ-DFIMXKNXSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccc(Br)cc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000101388270 554753575 /nfs/dbraw/zinc/75/35/75/554753575.db2.gz GJDSWAZDBJLAHQ-NLJXWPIHSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccc(Br)cc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000101388274 554753642 /nfs/dbraw/zinc/75/36/42/554753642.db2.gz GJDSWAZDBJLAHQ-IMBSWCNGSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000101390384 554754394 /nfs/dbraw/zinc/75/43/94/554754394.db2.gz BMOKTVPDTMRHTO-DFIMXKNXSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000101390392 554754369 /nfs/dbraw/zinc/75/43/69/554754369.db2.gz BMOKTVPDTMRHTO-IMBSWCNGSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@]12[NH2+][C@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000101390396 554754418 /nfs/dbraw/zinc/75/44/18/554754418.db2.gz BMOKTVPDTMRHTO-QUIZSENMSA-N 1 0 541.405 4.098 50 0 KIAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 ZINC000101390404 554754329 /nfs/dbraw/zinc/75/43/29/554754329.db2.gz BMOKTVPDTMRHTO-NLJXWPIHSA-N 1 0 541.405 4.098 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101391717 554755445 /nfs/dbraw/zinc/75/54/45/554755445.db2.gz FELRVRYUVDJZFL-ACIRYHQQSA-N 1 0 532.600 4.155 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101391719 554755514 /nfs/dbraw/zinc/75/55/14/554755514.db2.gz FELRVRYUVDJZFL-XTQYNZLPSA-N 1 0 532.600 4.155 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101391722 554755417 /nfs/dbraw/zinc/75/54/17/554755417.db2.gz FELRVRYUVDJZFL-BESNRVDSSA-N 1 0 532.600 4.155 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3C)cc1 ZINC000101391724 554755438 /nfs/dbraw/zinc/75/54/38/554755438.db2.gz FELRVRYUVDJZFL-WEBZSHJMSA-N 1 0 532.600 4.155 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3Cl)cc1 ZINC000101392661 554756274 /nfs/dbraw/zinc/75/62/74/554756274.db2.gz BVPDGABHJDBZOU-XZSHTLEFSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3Cl)cc1 ZINC000101392662 554756216 /nfs/dbraw/zinc/75/62/16/554756216.db2.gz BVPDGABHJDBZOU-GURVGDRESA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@]32C(=O)Nc3c2cc(C)cc3Cl)cc1 ZINC000101392664 554756286 /nfs/dbraw/zinc/75/62/86/554756286.db2.gz BVPDGABHJDBZOU-PCEYSVKOSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](Cc2c[nH]c4ccccc24)[NH2+][C@@]32C(=O)Nc3c2cc(C)cc3Cl)cc1 ZINC000101392666 554756183 /nfs/dbraw/zinc/75/61/83/554756183.db2.gz BVPDGABHJDBZOU-ZGQJUUMOSA-N 1 0 568.033 4.256 50 0 KIAARO CCCC[N@H+](CCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000101397460 554758700 /nfs/dbraw/zinc/75/87/00/554758700.db2.gz ZABQMBUINHACLB-UHFFFAOYSA-N 1 0 538.714 4.125 50 0 KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000101412156 554764183 /nfs/dbraw/zinc/76/41/83/554764183.db2.gz HYHXJRLPTXAGKQ-ZHNFZGJGSA-N 1 0 503.908 4.352 50 0 KIAARO CC(C)[N@H+](CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O)Cc1ccccc1 ZINC000101415209 554764423 /nfs/dbraw/zinc/76/44/23/554764423.db2.gz RDFHKTPDPVFCQT-UHFFFAOYSA-N 1 0 552.741 4.132 50 0 KIAARO COc1ccc(-n2nc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415399 554764620 /nfs/dbraw/zinc/76/46/20/554764620.db2.gz VLNDFDTWQAUDDR-UHFFFAOYSA-N 1 0 530.028 4.401 50 0 KIAARO COc1ccc(-n2nc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101415819 554764642 /nfs/dbraw/zinc/76/46/42/554764642.db2.gz JJTSLCPDOCLIBN-UHFFFAOYSA-N 1 0 542.039 4.328 50 0 KIAARO COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)cc1OC ZINC000101418167 554766522 /nfs/dbraw/zinc/76/65/22/554766522.db2.gz MRIDDXNJCABQFM-KDXMTYKHSA-N 1 0 553.725 4.377 50 0 KIAARO COc1ccc(-c2nc(C[S@](=O)CC(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c(C)o2)cc1OC ZINC000101418169 554766534 /nfs/dbraw/zinc/76/65/34/554766534.db2.gz MRIDDXNJCABQFM-LDLOPFEMSA-N 1 0 553.725 4.377 50 0 KIAARO COc1ccc(CN2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c(OC)c1 ZINC000101422017 554767524 /nfs/dbraw/zinc/76/75/24/554767524.db2.gz GLBQYUGNRIYVEG-WYLMBENISA-N 1 0 577.795 4.198 50 0 KIAARO CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)c3C2=O)CC1 ZINC000101422307 554767522 /nfs/dbraw/zinc/76/75/22/554767522.db2.gz XPDVCFFCEMNENA-UHFFFAOYSA-N 1 0 546.712 4.338 50 0 KIAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)C3)ccc21 ZINC000101438570 554772258 /nfs/dbraw/zinc/77/22/58/554772258.db2.gz QHNPTOBTEOOYMX-VWLOTQADSA-N 1 0 538.714 4.011 50 0 KIAARO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)C3)ccc21 ZINC000101438575 554772514 /nfs/dbraw/zinc/77/25/14/554772514.db2.gz QHNPTOBTEOOYMX-RUZDIDTESA-N 1 0 538.714 4.011 50 0 KIAARO COc1ccc(-n2nc(C(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101441211 554773367 /nfs/dbraw/zinc/77/33/67/554773367.db2.gz MFRJLMSIPWOYME-UHFFFAOYSA-N 1 0 585.108 4.087 50 0 KIAARO CCCC[N@H+](CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)Cc1ccccc1 ZINC000101447350 554774289 /nfs/dbraw/zinc/77/42/89/554774289.db2.gz GCLRAUQXKBNPNO-UHFFFAOYSA-N 1 0 552.741 4.228 50 0 KIAARO CCn1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000101447912 554774775 /nfs/dbraw/zinc/77/47/75/554774775.db2.gz YLYNGJSUHUHWJC-UHFFFAOYSA-N 1 0 544.762 4.359 50 0 KIAARO CCn1cc(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 ZINC000101448065 554774762 /nfs/dbraw/zinc/77/47/62/554774762.db2.gz GIAJVSDRQAKDCR-UHFFFAOYSA-N 1 0 552.741 4.082 50 0 KIAARO CCC[NH+]1CCN(CCCNC(=O)C2CCN(c3nc4cc(Br)c(OCC)cc4s3)CC2)CC1 ZINC000101448771 554775185 /nfs/dbraw/zinc/77/51/85/554775185.db2.gz SUNVYIKYCRHBNK-UHFFFAOYSA-N 1 0 552.583 4.208 50 0 KIAARO O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101456590 554777614 /nfs/dbraw/zinc/77/76/14/554777614.db2.gz CJIIVDMPTDAJHI-UHFFFAOYSA-N 1 0 612.727 4.367 50 0 KIAARO COc1ccc(CCNC(=O)C2CC[NH+](C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1OC ZINC000101475328 554781968 /nfs/dbraw/zinc/78/19/68/554781968.db2.gz GCCBHUZEPBQVAO-UHFFFAOYSA-N 1 0 547.618 4.398 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000101500231 554787838 /nfs/dbraw/zinc/78/78/38/554787838.db2.gz WUELQDPZJZQSPX-VAWYXSNFSA-N 1 0 566.699 4.258 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000101500291 554787968 /nfs/dbraw/zinc/78/79/68/554787968.db2.gz FOEVJELQGHGQCR-OUKQBFOZSA-N 1 0 540.730 4.339 50 0 KIAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C(C)C)CC2)CC1 ZINC000101501932 554788995 /nfs/dbraw/zinc/78/89/95/554788995.db2.gz DVNDCBSULSOYJN-SOFGYWHQSA-N 1 0 550.672 4.164 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)cc1 ZINC000101502967 554789002 /nfs/dbraw/zinc/78/90/02/554789002.db2.gz BVPDGABHJDBZOU-PXFJVXAFSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cc(C)cc5Cl)[C@H]3C2=O)cc1 ZINC000101502970 554788989 /nfs/dbraw/zinc/78/89/89/554788989.db2.gz BVPDGABHJDBZOU-BCVXLEMTSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000101502988 554789007 /nfs/dbraw/zinc/78/90/07/554789007.db2.gz OYJUFBBZMZEATQ-PXFJVXAFSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000101502992 554789192 /nfs/dbraw/zinc/78/91/92/554789192.db2.gz OYJUFBBZMZEATQ-BCVXLEMTSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1 ZINC000101503022 554789267 /nfs/dbraw/zinc/78/92/67/554789267.db2.gz ONXUJEBNLUXEGI-PXFJVXAFSA-N 1 0 568.033 4.256 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4ccc(Cl)c5C)[C@H]3C2=O)cc1 ZINC000101503028 554789166 /nfs/dbraw/zinc/78/91/66/554789166.db2.gz ONXUJEBNLUXEGI-BCVXLEMTSA-N 1 0 568.033 4.256 50 0 KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000101546184 554796169 /nfs/dbraw/zinc/79/61/69/554796169.db2.gz FBFPEQPRFBWRQE-LKYDWOEASA-N 1 0 554.990 4.026 50 0 KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000101546191 554796137 /nfs/dbraw/zinc/79/61/37/554796137.db2.gz FBFPEQPRFBWRQE-PFGOARBGSA-N 1 0 554.990 4.026 50 0 KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000101546196 554796149 /nfs/dbraw/zinc/79/61/49/554796149.db2.gz FBFPEQPRFBWRQE-CTQZMECCSA-N 1 0 554.990 4.026 50 0 KIAARO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@H]21 ZINC000101546202 554796131 /nfs/dbraw/zinc/79/61/31/554796131.db2.gz FBFPEQPRFBWRQE-GVVNTEAZSA-N 1 0 554.990 4.026 50 0 KIAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000101592546 554803074 /nfs/dbraw/zinc/80/30/74/554803074.db2.gz XZAAUWRCFUWEIW-PXFJVXAFSA-N 1 0 569.017 4.223 50 0 KIAARO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cc(Cl)cc5C)[C@H]3C2=O)cc1 ZINC000101592551 554803143 /nfs/dbraw/zinc/80/31/43/554803143.db2.gz XZAAUWRCFUWEIW-BCVXLEMTSA-N 1 0 569.017 4.223 50 0 KIAARO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000101614287 554805912 /nfs/dbraw/zinc/80/59/12/554805912.db2.gz MZUZKIUPPMKQBW-MUQQHEDISA-N 1 0 560.695 4.278 50 0 KIAARO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCN(c2ccccc2F)CC1)NCCCN1CCOCC1 ZINC000101627329 554811289 /nfs/dbraw/zinc/81/12/89/554811289.db2.gz BPGZSWCXZXVAQQ-BHBYDHKZSA-N 1 0 586.196 4.111 50 0 KIAARO O=C(CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)NCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000101632361 554811972 /nfs/dbraw/zinc/81/19/72/554811972.db2.gz HJMYCIKHYFEHBW-VFCFBJKWSA-N 1 0 532.591 4.060 50 0 KIAARO O=C(COc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(C(=O)NCC[NH+]3CCCCC3)o1)C(=O)CO2 ZINC000101636177 554812911 /nfs/dbraw/zinc/81/29/11/554812911.db2.gz ZBIUYEIXLTUFOU-UHFFFAOYSA-N 1 0 552.027 4.336 50 0 KIAARO CCc1cccc(OCC(=O)c2ccc3c(c2)N(Cc2ccc(C(=O)NCC[NH+]4CCCCC4)o2)C(=O)CO3)c1 ZINC000101636248 554812891 /nfs/dbraw/zinc/81/28/91/554812891.db2.gz CFIHWJQWVMIXFX-UHFFFAOYSA-N 1 0 545.636 4.245 50 0 KIAARO CC[NH+](CC)CCNC(=O)c1ccc(CN2C(=O)COc3ccc(C(=O)COc4ccc(Cl)cc4)cc32)o1 ZINC000101636312 554812914 /nfs/dbraw/zinc/81/29/14/554812914.db2.gz DSJVCOHCQNNWNB-UHFFFAOYSA-N 1 0 540.016 4.192 50 0 KIAARO CCCC[N@H+](CCCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21)Cc1ccccc1 ZINC000101685335 554829536 /nfs/dbraw/zinc/82/95/36/554829536.db2.gz PJKAAIHUIMTYAP-UHFFFAOYSA-N 1 0 572.797 4.109 50 0 KIAARO COC(=O)CC[C@H]1CN(Cc2ccc(OC)c(O)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101737622 554833871 /nfs/dbraw/zinc/83/38/71/554833871.db2.gz WESTZFDPJBBKTM-XUZZJYLKSA-N 1 0 535.607 4.386 50 0 KIAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000101749082 1064276710 /nfs/dbraw/zinc/27/67/10/1064276710.db2.gz SJSAOKQCMFQEHS-LJAQVGFWSA-N 1 0 544.671 4.040 50 0 KIAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000101749086 1064276858 /nfs/dbraw/zinc/27/68/58/1064276858.db2.gz SJSAOKQCMFQEHS-GDLZYMKVSA-N 1 0 544.671 4.040 50 0 KIAARO COc1ccccc1-c1ccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)c(N2CCN(c3ccccc3F)CC2)n1 ZINC000101756020 554835832 /nfs/dbraw/zinc/83/58/32/554835832.db2.gz YLEXIOMMDYLUHO-UHFFFAOYSA-N 1 0 573.713 4.284 50 0 KIAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)N(Cc3ccc(-c4cccc(Cl)c4)o3)C2)nn1 ZINC000101783405 554838424 /nfs/dbraw/zinc/83/84/24/554838424.db2.gz HGNLFJHSFSJCJZ-GUVPDLCXSA-N 1 0 581.117 4.174 50 0 KIAARO O=C(CC[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCSCC1 ZINC000101796213 554839204 /nfs/dbraw/zinc/83/92/04/554839204.db2.gz QSSWYQVZSKBGNH-WNCULLNHSA-N 1 0 561.718 4.469 50 0 KIAARO CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000101867680 554845106 /nfs/dbraw/zinc/84/51/06/554845106.db2.gz UUGOMNRWAYEXGC-UHFFFAOYSA-N 1 0 564.525 4.435 50 0 KIAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101889870 1064279609 /nfs/dbraw/zinc/27/96/09/1064279609.db2.gz REUIAGULJLOBSZ-KCWPFWIISA-N 1 0 559.583 4.460 50 0 KIAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1cccnc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101891053 1064279470 /nfs/dbraw/zinc/27/94/70/1064279470.db2.gz PDRRXEFGWNUZSZ-SQHAQQRYSA-N 1 0 559.583 4.460 50 0 KIAARO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)N3CCSCC3)C2)c1OC ZINC000101900273 554847424 /nfs/dbraw/zinc/84/74/24/554847424.db2.gz KBDRUDXUYDVTNE-RPLLCQBOSA-N 1 0 570.775 4.211 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](CCSC)[NH2+][C@@]4(c5ccccc5N(Cc5ccccc5F)C4=O)[C@H]3C2=O)cc1 ZINC000101909176 554849180 /nfs/dbraw/zinc/84/91/80/554849180.db2.gz QXDXCFYVNWKEGW-OWLPFRGLSA-N 1 0 545.636 4.107 50 0 KIAARO COc1ccc(N2C(=O)[C@@H]3[C@H](CCSC)[NH2+][C@]4(c5ccccc5N(Cc5ccccc5F)C4=O)[C@H]3C2=O)cc1 ZINC000101909184 554849224 /nfs/dbraw/zinc/84/92/24/554849224.db2.gz QXDXCFYVNWKEGW-AUHTVUCRSA-N 1 0 545.636 4.107 50 0 KIAARO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N(C)Cc2ccon2)CC1 ZINC000101916103 554850157 /nfs/dbraw/zinc/85/01/57/554850157.db2.gz PWLGXQPSLANKGR-XTEPFMGCSA-N 1 0 531.701 4.135 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccc(O)cc2)C1 ZINC000101919830 554851203 /nfs/dbraw/zinc/85/12/03/554851203.db2.gz BXSLLTJBOPQJEX-LOSJGSFVSA-N 1 0 527.621 4.003 50 0 KIAARO COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CN1C1CC[NH+](CCc2ccccc2)CC1 ZINC000101980937 1064282640 /nfs/dbraw/zinc/28/26/40/1064282640.db2.gz IFOXCUJBGDFYSV-RDPSFJRHSA-N 1 0 538.010 4.412 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000102041581 1064282523 /nfs/dbraw/zinc/28/25/23/1064282523.db2.gz WSYJGEWJCQBIQR-DHLKQENFSA-N 1 0 527.999 4.439 50 0 KIAARO CCOCCCNC(=O)CC[C@H]1C[N@H+](Cc2cccc(OC)c2OC)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102066283 554873395 /nfs/dbraw/zinc/87/33/95/554873395.db2.gz CFXHXLKRZCGJIT-LBNVMWSVSA-N 1 0 570.750 4.179 50 0 KIAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)N(Cc3ccc(-c4ccccc4Cl)o3)C2)nn1 ZINC000102112470 554882925 /nfs/dbraw/zinc/88/29/25/554882925.db2.gz CBFMVAYEGLUPLM-XMODGQSNSA-N 1 0 581.117 4.174 50 0 KIAARO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCN(c2cccc3c2C(=O)N(CCc2ccccc2F)C3=O)CC1 ZINC000102121673 554884065 /nfs/dbraw/zinc/88/40/65/554884065.db2.gz MCWKOSIKMWJVAA-UHFFFAOYSA-N 1 0 556.682 4.471 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102131720 554885699 /nfs/dbraw/zinc/88/56/99/554885699.db2.gz KEIODQIIPDWBLH-UHFFFAOYSA-N 1 0 552.764 4.361 50 0 KIAARO CC[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132080 554886178 /nfs/dbraw/zinc/88/61/78/554886178.db2.gz RFBIGFVJDWPUBJ-UHFFFAOYSA-N 1 0 560.690 4.022 50 0 KIAARO C[NH+]1CCN(CCCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102132617 554886715 /nfs/dbraw/zinc/88/67/15/554886715.db2.gz RSSUGOZXPHHRKE-UHFFFAOYSA-N 1 0 545.128 4.008 50 0 KIAARO COc1ccc(CCN(C)C(=O)CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@H]2N2CCOCC2)cc1OC ZINC000102142255 554888617 /nfs/dbraw/zinc/88/86/17/554888617.db2.gz HJUGKSALXLAXLD-AHKZPQOWSA-N 1 0 544.136 4.361 50 0 KIAARO COc1cc(CNC(=O)CC[C@H]2C[N@H+](Cc3cccc4ccccc43)CC[C@H]2N2CCOCC2)cc(OC)c1OC ZINC000102147124 554889462 /nfs/dbraw/zinc/88/94/62/554889462.db2.gz AIQBYIHBKCNABP-LMSSTIIKSA-N 1 0 561.723 4.485 50 0 KIAARO O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000102165382 554890374 /nfs/dbraw/zinc/89/03/74/554890374.db2.gz HTMAZHXYKXBGMH-UHFFFAOYSA-N 1 0 537.132 4.456 50 0 KIAARO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)[nH]c1=O ZINC000102167516 554890427 /nfs/dbraw/zinc/89/04/27/554890427.db2.gz KHDNDUDHKLWDES-UHFFFAOYSA-N 1 0 551.643 4.182 50 0 KIAARO Cc1cc(-c2c(C)nc3c(OCC(=O)NC4CC[NH+](Cc5ccccc5)CC4)cccn3c2=O)nn1-c1ccc(F)cc1 ZINC000102168494 554890617 /nfs/dbraw/zinc/89/06/17/554890617.db2.gz XLDJGDMHCOALEO-UHFFFAOYSA-N 1 0 580.664 4.463 50 0 KIAARO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102176757 554892545 /nfs/dbraw/zinc/89/25/45/554892545.db2.gz VBZZFRBFTIBAGC-XZOQPEGZSA-N 1 0 535.616 4.245 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000102185360 1064284829 /nfs/dbraw/zinc/28/48/29/1064284829.db2.gz ZRPSJAYQPJUHFO-ZCYQVOJMSA-N 1 0 527.999 4.439 50 0 KIAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccc(Cl)cc1 ZINC000102191958 554894854 /nfs/dbraw/zinc/89/48/54/554894854.db2.gz PYMZAICCOSNTEP-UHFFFAOYSA-N 1 0 579.145 4.329 50 0 KIAARO Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4ccc(C[NH+]5CCCCC5)cc4)CC3)c2)no1 ZINC000102213894 554897474 /nfs/dbraw/zinc/89/74/74/554897474.db2.gz HKMDBMWLOYJLFE-UHFFFAOYSA-N 1 0 537.686 4.379 50 0 KIAARO O=C(CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N1CCOCC1)N1CCN(c2ccccn2)CC1 ZINC000102214646 554897968 /nfs/dbraw/zinc/89/79/68/554897968.db2.gz FHFJSQFFTXIARQ-CQTOTRCISA-N 1 0 567.778 4.365 50 0 KIAARO COC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc1)c2=O ZINC000102221527 554899391 /nfs/dbraw/zinc/89/93/91/554899391.db2.gz ABYPMYRFGCPXIP-UHFFFAOYSA-N 1 0 528.634 4.229 50 0 KIAARO 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COC(=O)c1sccc1S(=O)(=O)N1CCN(CCOc2ccc(C[N@H+](C)Cc3ccc4ncccc4c3)cc2)CC1 ZINC000102312909 554910070 /nfs/dbraw/zinc/91/00/70/554910070.db2.gz UEJOABDCNBCCPX-UHFFFAOYSA-N 1 0 594.759 4.100 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000102320090 554911845 /nfs/dbraw/zinc/91/18/45/554911845.db2.gz SREDJUDROOXLHA-OFVILXPXSA-N 1 0 527.999 4.439 50 0 KIAARO COc1cccc(N2CCN(C(=O)CC[C@H]3C[N@H+](Cc4ccc(Cl)cc4)CC[C@H]3N3CCOCC3)CC2)c1 ZINC000102333315 554912595 /nfs/dbraw/zinc/91/25/95/554912595.db2.gz GLAGHGLSTOANMH-ABYGYWHVSA-N 1 0 541.136 4.000 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1ccc(Cl)cc1 ZINC000102334531 554912585 /nfs/dbraw/zinc/91/25/85/554912585.db2.gz AABRFEXPXCCFKI-OFVILXPXSA-N 1 0 527.999 4.439 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1ccc(Cl)cc1 ZINC000102338494 1064285803 /nfs/dbraw/zinc/28/58/03/1064285803.db2.gz XSOXNYSTNBDVGT-ZCYQVOJMSA-N 1 0 527.999 4.439 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000102338525 554912877 /nfs/dbraw/zinc/91/28/77/554912877.db2.gz VGEXOGXIAHRGMT-GDJIYFAZSA-N 1 0 535.641 4.327 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000102338531 554912863 /nfs/dbraw/zinc/91/28/63/554912863.db2.gz VGEXOGXIAHRGMT-VKGTZQKMSA-N 1 0 535.641 4.327 50 0 KIAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@H]23)C1 ZINC000102339569 554912744 /nfs/dbraw/zinc/91/27/44/554912744.db2.gz BFCWPGKVBAACHU-FZBZCGEPSA-N 1 0 559.629 4.249 50 0 KIAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@H]23)C1 ZINC000102339573 554912774 /nfs/dbraw/zinc/91/27/74/554912774.db2.gz BFCWPGKVBAACHU-NKPLSRDGSA-N 1 0 559.629 4.249 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc1OC ZINC000102348925 554913370 /nfs/dbraw/zinc/91/33/70/554913370.db2.gz RVAGRXCSMOBPJS-IZZNHLLZSA-N 1 0 571.674 4.314 50 0 KIAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccc(OC)c(OC)c3)C2)cc1OC ZINC000102356582 554915452 /nfs/dbraw/zinc/91/54/52/554915452.db2.gz FPTPYQLXXHVKEV-XZOQPEGZSA-N 1 0 565.642 4.253 50 0 KIAARO COC(=O)c1cn([C@@H]2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4)CC3)[N@H+](Cc3cccc(-c4ccccc4C)c3)C2)nn1 ZINC000102381807 554918584 /nfs/dbraw/zinc/91/85/84/554918584.db2.gz RVGSWWZUWGQJJS-MVSFAKPFSA-N 1 0 582.680 4.344 50 0 KIAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@H+](Cc3ccc(O)cc3)C2)cc1OC ZINC000102389923 554918737 /nfs/dbraw/zinc/91/87/37/554918737.db2.gz KKCXALYRSQNEPM-IZZNHLLZSA-N 1 0 543.664 4.291 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 ZINC000102403823 554920327 /nfs/dbraw/zinc/92/03/27/554920327.db2.gz RJSCXSDCEZIKHF-ZCYQVOJMSA-N 1 0 527.999 4.439 50 0 KIAARO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@H+](Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000102421870 554925399 /nfs/dbraw/zinc/92/53/99/554925399.db2.gz FQVGWNRXDIFOSW-XZOQPEGZSA-N 1 0 535.616 4.245 50 0 KIAARO COc1ccc(CN2C(=O)c3cccc(N4CCC(C(=O)N(CC[NH+](C)C)Cc5ccccc5)CC4)c3C2=O)c(OC)c1 ZINC000102425086 554925825 /nfs/dbraw/zinc/92/58/25/554925825.db2.gz YHVISHSPQXFWDS-UHFFFAOYSA-N 1 0 584.717 4.307 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)CN1Cc1cccc(Cl)c1 ZINC000102430809 1064286876 /nfs/dbraw/zinc/28/68/76/1064286876.db2.gz ZRPSJAYQPJUHFO-NOZRDPDXSA-N 1 0 527.999 4.439 50 0 KIAARO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)N(Cc3cccc(-c4ccccc4C)c3)C2)nn1 ZINC000102433664 554927660 /nfs/dbraw/zinc/92/76/60/554927660.db2.gz GAXSRYPKXJSOJM-FOHQDORMSA-N 1 0 570.738 4.236 50 0 KIAARO C[N@H+](Cc1cccs1)Cc1cccc(OCCN2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000102433726 1064286077 /nfs/dbraw/zinc/28/60/77/1064286077.db2.gz QMEFBAIHXLCCBD-UHFFFAOYSA-N 1 0 536.723 4.314 50 0 KIAARO COc1cc(CCN2C(=O)c3cccc4cccc(c43)C2=O)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1OC ZINC000102436087 554928023 /nfs/dbraw/zinc/92/80/23/554928023.db2.gz IBTFBOBEKPMUET-UHFFFAOYSA-N 1 0 599.709 4.202 50 0 KIAARO COc1ccc(CN2C(=O)c3cccc(N4CCC(C(=O)N5CC[NH+](C6CCCCC6)CC5)CC4)c3C2=O)c(OC)c1 ZINC000102456658 554934522 /nfs/dbraw/zinc/93/45/22/554934522.db2.gz MRHQSZKPWFIREG-UHFFFAOYSA-N 1 0 574.722 4.193 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(F)c2)CN1Cc1cccc(Cl)c1 ZINC000102505029 1064286626 /nfs/dbraw/zinc/28/66/26/1064286626.db2.gz WSYJGEWJCQBIQR-RDGATRHJSA-N 1 0 527.999 4.439 50 0 KIAARO COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c(OC)c1 ZINC000102528282 554953147 /nfs/dbraw/zinc/95/31/47/554953147.db2.gz YFJPNZGRFJQPNU-MHZLTWQESA-N 1 0 550.681 4.090 50 0 KIAARO COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c(OC)c1 ZINC000102528286 554953167 /nfs/dbraw/zinc/95/31/67/554953167.db2.gz YFJPNZGRFJQPNU-HHHXNRCGSA-N 1 0 550.681 4.090 50 0 KIAARO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530506 554953644 /nfs/dbraw/zinc/95/36/44/554953644.db2.gz HAJBDHHYKCNKJZ-MHZLTWQESA-N 1 0 550.681 4.311 50 0 KIAARO COCCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102530512 554953621 /nfs/dbraw/zinc/95/36/21/554953621.db2.gz HAJBDHHYKCNKJZ-HHHXNRCGSA-N 1 0 550.681 4.311 50 0 KIAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102532125 554954100 /nfs/dbraw/zinc/95/41/00/554954100.db2.gz QDGNREHVHZTJTE-MHZLTWQESA-N 1 0 550.681 4.090 50 0 KIAARO COC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000102532129 554954107 /nfs/dbraw/zinc/95/41/07/554954107.db2.gz QDGNREHVHZTJTE-HHHXNRCGSA-N 1 0 550.681 4.090 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102536152 554955705 /nfs/dbraw/zinc/95/57/05/554955705.db2.gz VVXQDYKTOYDUMG-HHHXNRCGSA-N 1 0 550.681 4.047 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000102536158 554955699 /nfs/dbraw/zinc/95/56/99/554955699.db2.gz VVXQDYKTOYDUMG-MHZLTWQESA-N 1 0 550.681 4.047 50 0 KIAARO CCC1=C(C(=O)OC)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102536222 554955723 /nfs/dbraw/zinc/95/57/23/554955723.db2.gz IHZDTXQTQAIBCM-NDEPHWFRSA-N 1 0 564.708 4.480 50 0 KIAARO CCC1=C(C(=O)OC)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102536227 554955725 /nfs/dbraw/zinc/95/57/25/554955725.db2.gz IHZDTXQTQAIBCM-MUUNZHRXSA-N 1 0 564.708 4.480 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(OC)cc1OC ZINC000102536449 554955959 /nfs/dbraw/zinc/95/59/59/554955959.db2.gz WZENBQAJHNOKOW-HHHXNRCGSA-N 1 0 550.681 4.047 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(OC)cc1OC ZINC000102536456 554956007 /nfs/dbraw/zinc/95/60/07/554956007.db2.gz WZENBQAJHNOKOW-MHZLTWQESA-N 1 0 550.681 4.047 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cccc(OC)c1OC ZINC000102536476 554955901 /nfs/dbraw/zinc/95/59/01/554955901.db2.gz VFESMMHUFKVLAP-AREMUKBSSA-N 1 0 550.681 4.047 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cccc(OC)c1OC ZINC000102536482 554955963 /nfs/dbraw/zinc/95/59/63/554955963.db2.gz VFESMMHUFKVLAP-SANMLTNESA-N 1 0 550.681 4.047 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cc(OC)ccc1OC ZINC000102536491 554956001 /nfs/dbraw/zinc/95/60/01/554956001.db2.gz BSUSLLHOURTUMO-HHHXNRCGSA-N 1 0 550.681 4.047 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cc(OC)ccc1OC ZINC000102536495 554955968 /nfs/dbraw/zinc/95/59/68/554955968.db2.gz BSUSLLHOURTUMO-MHZLTWQESA-N 1 0 550.681 4.047 50 0 KIAARO COc1ccc(OC)c([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1 ZINC000102536918 554955972 /nfs/dbraw/zinc/95/59/72/554955972.db2.gz PONHDUBWSLNMOF-MHZLTWQESA-N 1 0 550.681 4.090 50 0 KIAARO COc1ccc(OC)c([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1 ZINC000102536923 554955912 /nfs/dbraw/zinc/95/59/12/554955912.db2.gz PONHDUBWSLNMOF-HHHXNRCGSA-N 1 0 550.681 4.090 50 0 KIAARO COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1OC ZINC000102536928 554955933 /nfs/dbraw/zinc/95/59/33/554955933.db2.gz CCFDZIHCHUBEIY-SANMLTNESA-N 1 0 550.681 4.090 50 0 KIAARO COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3SC=C(CC(=O)NCC[NH+](C)C)N32)c1OC ZINC000102536934 554955991 /nfs/dbraw/zinc/95/59/91/554955991.db2.gz CCFDZIHCHUBEIY-AREMUKBSSA-N 1 0 550.681 4.090 50 0 KIAARO COc1ccc(CN2C(=O)c3cccc(N4CCN(C5CC[NH+](Cc6ccccc6)CC5)CC4)c3C2=O)cc1OC ZINC000102545424 554959051 /nfs/dbraw/zinc/95/90/51/554959051.db2.gz KESVKQQMWQLBEQ-UHFFFAOYSA-N 1 0 554.691 4.287 50 0 KIAARO COC(=O)c1nnn([C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)COC4)[N@H+](CCC3=C(C)CCCC3(C)C)C2)c1C(=O)OC ZINC000102548280 554960295 /nfs/dbraw/zinc/96/02/95/554960295.db2.gz SBTJDMXPNAXXNX-UPVQGACJSA-N 1 0 565.671 4.052 50 0 KIAARO CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000102560455 554967599 /nfs/dbraw/zinc/96/75/99/554967599.db2.gz LZOTYZLKOZHFHC-BKJGLDIHSA-N 1 0 503.908 4.352 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)CN1Cc1cccc(Cl)c1 ZINC000102603769 1064288881 /nfs/dbraw/zinc/28/88/81/1064288881.db2.gz RJSCXSDCEZIKHF-NOZRDPDXSA-N 1 0 527.999 4.439 50 0 KIAARO O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2F)CN1Cc1cccc(Cl)c1 ZINC000102603882 1064288966 /nfs/dbraw/zinc/28/89/66/1064288966.db2.gz SREDJUDROOXLHA-BWKNWUBXSA-N 1 0 527.999 4.439 50 0 KIAARO Cc1cc(-c2c(C)nc3scc(CC(=O)NCC[NH+]4CCCCC4)n3c2=O)nn1-c1cc(Cl)ccc1C ZINC000102605430 554978430 /nfs/dbraw/zinc/97/84/30/554978430.db2.gz QJCHRDWCMGHNKE-UHFFFAOYSA-N 1 0 539.105 4.332 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000102612861 554982332 /nfs/dbraw/zinc/98/23/32/554982332.db2.gz PSBNFJSZSFRRGQ-ZHACJKMWSA-N 1 0 540.730 4.339 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000102613024 554982567 /nfs/dbraw/zinc/98/25/67/554982567.db2.gz MXCQCFGVIHIKON-OUKQBFOZSA-N 1 0 562.736 4.427 50 0 KIAARO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000102613041 554982497 /nfs/dbraw/zinc/98/24/97/554982497.db2.gz QLLFFFAZPUCIEA-VAWYXSNFSA-N 1 0 548.709 4.037 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000102613237 554982581 /nfs/dbraw/zinc/98/25/81/554982581.db2.gz ZMCLCXMPFHIMSH-VAWYXSNFSA-N 1 0 544.693 4.170 50 0 KIAARO Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000102613316 554982847 /nfs/dbraw/zinc/98/28/47/554982847.db2.gz SLMDDHMTAYZKPP-MDZDMXLPSA-N 1 0 544.693 4.170 50 0 KIAARO CC[NH+]1CCN(Cc2ccc(NC(=O)C3CCN(S(=O)(=O)c4c(C)noc4/C=C/c4ccccc4F)CC3)cc2)CC1 ZINC000102613582 554983128 /nfs/dbraw/zinc/98/31/28/554983128.db2.gz WJRWEKPTBCDJAF-JLHYYAGUSA-N 1 0 595.741 4.469 50 0 KIAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000102613929 554983485 /nfs/dbraw/zinc/98/34/85/554983485.db2.gz XXXJIHCOVZVZLY-CSKARUKUSA-N 1 0 562.683 4.309 50 0 KIAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000102614041 554983818 /nfs/dbraw/zinc/98/38/18/554983818.db2.gz WZDYBPJPSNPUTH-SOFGYWHQSA-N 1 0 562.683 4.309 50 0 KIAARO CCC[C@@H](C)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(F)cc3F)CC2)CC1 ZINC000102614234 554984053 /nfs/dbraw/zinc/98/40/53/554984053.db2.gz DDFKWPSTQJLGKN-QRBZPYHOSA-N 1 0 550.672 4.165 50 0 KIAARO CCC[C@H](C)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(F)cc3F)CC2)CC1 ZINC000102614238 554984034 /nfs/dbraw/zinc/98/40/34/554984034.db2.gz DDFKWPSTQJLGKN-XSBJJCPUSA-N 1 0 550.672 4.165 50 0 KIAARO Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000102614299 554984048 /nfs/dbraw/zinc/98/40/48/554984048.db2.gz JGRRMEQUJMSFTN-VQHVLOKHSA-N 1 0 570.662 4.007 50 0 KIAARO CC[NH+](CC)CCN(CC(=O)N1CCN(c2ccc(-c3ccc(C)cc3)nn2)CC1)C(=O)c1ccccc1Cl ZINC000102615382 554984242 /nfs/dbraw/zinc/98/42/42/554984242.db2.gz BJOIIUJXWJEQAK-UHFFFAOYSA-N 1 0 549.119 4.238 50 0 KIAARO CC[NH+](CC)CCN(CC(=O)N1CCCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000102615951 554984169 /nfs/dbraw/zinc/98/41/69/554984169.db2.gz HLRROVHHISWQCY-UHFFFAOYSA-N 1 0 567.109 4.459 50 0 KIAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102621670 554987022 /nfs/dbraw/zinc/98/70/22/554987022.db2.gz NJMAGDXFWMQUBB-YTTGMZPUSA-N 1 0 552.675 4.230 50 0 KIAARO C[N@H+](Cc1ccc(OCCN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102621674 554987114 /nfs/dbraw/zinc/98/71/14/554987114.db2.gz NJMAGDXFWMQUBB-JGCGQSQUSA-N 1 0 552.675 4.230 50 0 KIAARO O=C(CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCSCC1 ZINC000102631973 554989510 /nfs/dbraw/zinc/98/95/10/554989510.db2.gz HZPNUTODWSTSEF-RPLLCQBOSA-N 1 0 561.718 4.469 50 0 KIAARO CCn1c2c(C(=O)NCC3CC[NH+](Cc4ccc(C)cc4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634409 554990513 /nfs/dbraw/zinc/99/05/13/554990513.db2.gz IKRJFANBBGONLS-UHFFFAOYSA-N 1 0 582.749 4.033 50 0 KIAARO CCn1c2c(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634414 554990485 /nfs/dbraw/zinc/99/04/85/554990485.db2.gz KXTXKLMIQCZZHH-UHFFFAOYSA-N 1 0 554.695 4.321 50 0 KIAARO CCn1c2c(C(=O)NCC3CC[NH+](Cc4cccc(Cl)c4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634426 554990539 /nfs/dbraw/zinc/99/05/39/554990539.db2.gz TUZTVQWYEFYXKS-UHFFFAOYSA-N 1 0 603.167 4.378 50 0 KIAARO CCn1c2c(C(=O)NCC3CC[NH+](Cc4ccc(Cl)cc4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634430 554990470 /nfs/dbraw/zinc/99/04/70/554990470.db2.gz ZCJOWBZOVHBWLI-UHFFFAOYSA-N 1 0 603.167 4.378 50 0 KIAARO CCn1c2c(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)cnn2c(=O)c2c1CCN(Cc1ccc(OC)cc1)C2 ZINC000102634440 554990362 /nfs/dbraw/zinc/99/03/62/554990362.db2.gz VRWMYHNYLPDAIQ-UHFFFAOYSA-N 1 0 596.776 4.157 50 0 KIAARO CC[C@@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102645310 554991918 /nfs/dbraw/zinc/99/19/18/554991918.db2.gz XTFCPCPLJVMIRD-AJTFRIOCSA-N 1 0 559.176 4.332 50 0 KIAARO CC[C@H](C)[C@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102645313 554991940 /nfs/dbraw/zinc/99/19/40/554991940.db2.gz XTFCPCPLJVMIRD-WXVAWEFUSA-N 1 0 559.176 4.332 50 0 KIAARO CC[C@@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102645315 554991934 /nfs/dbraw/zinc/99/19/34/554991934.db2.gz XTFCPCPLJVMIRD-AMGIVPHBSA-N 1 0 559.176 4.332 50 0 KIAARO CC[C@H](C)[C@@H]1NC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)N(C2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000102645319 554991968 /nfs/dbraw/zinc/99/19/68/554991968.db2.gz XTFCPCPLJVMIRD-CUNXSJBXSA-N 1 0 559.176 4.332 50 0 KIAARO O=C(NCCN1CCOCC1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102649850 554995319 /nfs/dbraw/zinc/99/53/19/554995319.db2.gz JQMCKLADFBBLLS-SUYBVONHSA-N 1 0 527.709 4.294 50 0 KIAARO CCN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H](Sc4ccccn4)CN3Cc3c(F)cccc3Cl)CC2)CC1 ZINC000102652267 554996569 /nfs/dbraw/zinc/99/65/69/554996569.db2.gz QDOZHVSRWWLMEN-NVQXNPDNSA-N 1 0 546.156 4.238 50 0 KIAARO C[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000102662715 555001055 /nfs/dbraw/zinc/00/10/55/555001055.db2.gz HHZSEYWXMBWJLG-HSZRJFAPSA-N 1 0 564.752 4.166 50 0 KIAARO C[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC[NH+]3CCC(Cc4ccccc4)CC3)c2c1 ZINC000102662717 555001012 /nfs/dbraw/zinc/00/10/12/555001012.db2.gz HHZSEYWXMBWJLG-QHCPKHFHSA-N 1 0 564.752 4.166 50 0 KIAARO COc1ccc(S[C@H]2C[C@@H](C(=O)N3CCC([NH+]4CCC(O)CC4)CC3)N(Cc3c(F)cccc3F)C2)cc1 ZINC000102664337 1064288999 /nfs/dbraw/zinc/28/89/99/1064288999.db2.gz KEBDHTMQZFYWMD-CUBQBAPOSA-N 1 0 545.696 4.156 50 0 KIAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)c3cc4cc(Br)cc(Br)c4oc3=O)CC2)[nH+]1 ZINC000102683509 555006605 /nfs/dbraw/zinc/00/66/05/555006605.db2.gz TUNVKQFKJCJIHE-UHFFFAOYSA-N 1 0 591.304 4.369 50 0 KIAARO C[C@@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)c2C1=O ZINC000102692696 555008883 /nfs/dbraw/zinc/00/88/83/555008883.db2.gz MVTWMKZJMHACEQ-NRFANRHFSA-N 1 0 557.720 4.498 50 0 KIAARO C[C@H](c1nccs1)N1C(=O)c2cccc(N3CCC(C(=O)NC4CC[NH+](Cc5ccccc5)CC4)CC3)c2C1=O ZINC000102692698 555008803 /nfs/dbraw/zinc/00/88/03/555008803.db2.gz MVTWMKZJMHACEQ-OAQYLSRUSA-N 1 0 557.720 4.498 50 0 KIAARO Cc1ccc(-c2ccc(C(=O)N3CCN(CCOc4cccc(C[N@H+](C)C[C@@H]5CCC(=O)N5)c4)CC3)cc2)cc1 ZINC000102698239 1064287962 /nfs/dbraw/zinc/28/79/62/1064287962.db2.gz HQHRNJLTMYDKTH-PMERELPUSA-N 1 0 540.708 4.209 50 0 KIAARO Cc1ccc(-c2ccc(C(=O)N3CCN(CCOc4cccc(C[N@H+](C)C[C@H]5CCC(=O)N5)c4)CC3)cc2)cc1 ZINC000102698240 1064287507 /nfs/dbraw/zinc/28/75/07/1064287507.db2.gz HQHRNJLTMYDKTH-SSEXGKCCSA-N 1 0 540.708 4.209 50 0 KIAARO COC(=O)CC[C@H]1CN(Cc2ccc(O)c(OC)c2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102698356 555012155 /nfs/dbraw/zinc/01/21/55/555012155.db2.gz LTBQDCWPRILMTG-XUZZJYLKSA-N 1 0 535.607 4.386 50 0 KIAARO O=C([C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102702807 555013326 /nfs/dbraw/zinc/01/33/26/555013326.db2.gz MGSDTWXPAZJWGZ-NAKRPHOHSA-N 1 0 538.614 4.493 50 0 KIAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102703522 1064288713 /nfs/dbraw/zinc/28/87/13/1064288713.db2.gz BMCCCWLRCHMIHU-LJAQVGFWSA-N 1 0 544.671 4.040 50 0 KIAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102703525 1064288526 /nfs/dbraw/zinc/28/85/26/1064288526.db2.gz BMCCCWLRCHMIHU-GDLZYMKVSA-N 1 0 544.671 4.040 50 0 KIAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1)C[C@@H]1CCC(=O)N1 ZINC000102705784 1064288766 /nfs/dbraw/zinc/28/87/66/1064288766.db2.gz WGVVALOVVYUEGZ-LJAQVGFWSA-N 1 0 544.671 4.040 50 0 KIAARO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1)C[C@H]1CCC(=O)N1 ZINC000102705785 1064287403 /nfs/dbraw/zinc/28/74/03/1064287403.db2.gz WGVVALOVVYUEGZ-GDLZYMKVSA-N 1 0 544.671 4.040 50 0 KIAARO C[N@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccs3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102713548 555018017 /nfs/dbraw/zinc/01/80/17/555018017.db2.gz CHYPOQVHPAPVJC-UHFFFAOYSA-N 1 0 536.723 4.314 50 0 KIAARO CC[NH+](CC)CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c3ccccc3sc2c1=O ZINC000102726780 555022139 /nfs/dbraw/zinc/02/21/39/555022139.db2.gz FWKFZCJFOAPTIN-UHFFFAOYSA-N 1 0 554.738 4.421 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCCN2CCOCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102736397 555026223 /nfs/dbraw/zinc/02/62/23/555026223.db2.gz QGHBNLFSCHGAGB-IOWSJCHKSA-N 1 0 554.735 4.244 50 0 KIAARO Cc1cnn(CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000102738183 555026932 /nfs/dbraw/zinc/02/69/32/555026932.db2.gz IQKVAPZKPPTNFS-VXKWHMMOSA-N 1 0 561.523 4.411 50 0 KIAARO Cc1cnn(CC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000102738185 555026899 /nfs/dbraw/zinc/02/68/99/555026899.db2.gz IQKVAPZKPPTNFS-SZPZYZBQSA-N 1 0 561.523 4.411 50 0 KIAARO Cc1cnn(CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000102738188 555026909 /nfs/dbraw/zinc/02/69/09/555026909.db2.gz IQKVAPZKPPTNFS-FGZHOGPDSA-N 1 0 561.523 4.411 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000102742546 555032041 /nfs/dbraw/zinc/03/20/41/555032041.db2.gz IKBPGWITJRNIKX-BJKOFHAPSA-N 1 0 579.660 4.078 50 0 KIAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@@H]1c1cccc(OC)c1 ZINC000102743525 555034182 /nfs/dbraw/zinc/03/41/82/555034182.db2.gz KNXIMSBMEAHZSV-AREMUKBSSA-N 1 0 524.687 4.310 50 0 KIAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C4CCCC4)CC3)N2[C@H]1c1cccc(OC)c1 ZINC000102743526 555034178 /nfs/dbraw/zinc/03/41/78/555034178.db2.gz KNXIMSBMEAHZSV-SANMLTNESA-N 1 0 524.687 4.310 50 0 KIAARO CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(CC(=O)NCC[NH+]3CCCC3)=CSC2=N1 ZINC000102746774 555039639 /nfs/dbraw/zinc/03/96/39/555039639.db2.gz CVFPGSLYODHHKP-QHCPKHFHSA-N 1 0 503.068 4.469 50 0 KIAARO CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)N2C(CC(=O)NCC[NH+]3CCCC3)=CSC2=N1 ZINC000102746776 555039645 /nfs/dbraw/zinc/03/96/45/555039645.db2.gz CVFPGSLYODHHKP-HSZRJFAPSA-N 1 0 503.068 4.469 50 0 KIAARO COc1ccc(C[N@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCOc3ccccc3)C2)cc1OC ZINC000102755492 555047573 /nfs/dbraw/zinc/04/75/73/555047573.db2.gz NNAJPRZXAYOUOO-RRPNLBNLSA-N 1 0 557.691 4.465 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(OC)cc1 ZINC000102762994 555053734 /nfs/dbraw/zinc/05/37/34/555053734.db2.gz BQFFOCZABDQQAR-AREMUKBSSA-N 1 0 520.655 4.038 50 0 KIAARO CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(OC)cc1 ZINC000102762997 555053695 /nfs/dbraw/zinc/05/36/95/555053695.db2.gz BQFFOCZABDQQAR-SANMLTNESA-N 1 0 520.655 4.038 50 0 KIAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102763116 555053741 /nfs/dbraw/zinc/05/37/41/555053741.db2.gz CMGSVPWIQURBQU-HHHXNRCGSA-N 1 0 534.682 4.472 50 0 KIAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102763119 555053708 /nfs/dbraw/zinc/05/37/08/555053708.db2.gz CMGSVPWIQURBQU-MHZLTWQESA-N 1 0 534.682 4.472 50 0 KIAARO O=C(NCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc21 ZINC000102780297 555065881 /nfs/dbraw/zinc/06/58/81/555065881.db2.gz MEGIBDHTUMENJQ-UHFFFAOYSA-N 1 0 564.752 4.167 50 0 KIAARO CCCCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCC3CC[NH+](Cc4ccccc4OCC)CC3)c2c1 ZINC000102782453 555066620 /nfs/dbraw/zinc/06/66/20/555066620.db2.gz VRFNTRDPIZFKGV-UHFFFAOYSA-N 1 0 582.767 4.380 50 0 KIAARO O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000102791564 555069235 /nfs/dbraw/zinc/06/92/35/555069235.db2.gz KOPBDCNOJZHBKJ-UHFFFAOYSA-N 1 0 552.535 4.086 50 0 KIAARO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]cn2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102796314 555071701 /nfs/dbraw/zinc/07/17/01/555071701.db2.gz RYEQJOHRBYELFF-WUFINQPMSA-N 1 0 521.665 4.487 50 0 KIAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102811987 555075221 /nfs/dbraw/zinc/07/52/21/555075221.db2.gz HBERMDLRERBXHG-LJAQVGFWSA-N 1 0 569.649 4.227 50 0 KIAARO COCC[N@@H+](Cc1cccc(OC)c1OC)C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102811989 555075354 /nfs/dbraw/zinc/07/53/54/555075354.db2.gz HBERMDLRERBXHG-GDLZYMKVSA-N 1 0 569.649 4.227 50 0 KIAARO COCc1cc(N2CCN(c3ccccc3Cl)CC2)nc(SCc2ccc(C(=O)NCC[NH+](C)C)cc2)n1 ZINC000102830999 555078741 /nfs/dbraw/zinc/07/87/41/555078741.db2.gz ZZHJZMVCYAYQKC-UHFFFAOYSA-N 1 0 555.148 4.187 50 0 KIAARO COCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1 ZINC000102831991 555079173 /nfs/dbraw/zinc/07/91/73/555079173.db2.gz NJUSYSHSKRZETP-UHFFFAOYSA-N 1 0 544.469 4.123 50 0 KIAARO COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CC[NH+](C)CC1)C(=O)c1cccc(Br)c1 ZINC000102832013 555079183 /nfs/dbraw/zinc/07/91/83/555079183.db2.gz AMPDIRVAEPVEIG-UHFFFAOYSA-N 1 0 540.506 4.374 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3ccccc3Br)c(C)nn2-c2ccccc2)CC1 ZINC000102832191 555079096 /nfs/dbraw/zinc/07/90/96/555079096.db2.gz BWALTKSPIPNDMG-UHFFFAOYSA-N 1 0 540.506 4.374 50 0 KIAARO CC[NH+]1CCN(c2c(CN(CCOC)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832194 555079077 /nfs/dbraw/zinc/07/90/77/555079077.db2.gz SFJFIHDZVFQNJY-UHFFFAOYSA-N 1 0 540.506 4.374 50 0 KIAARO C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)c1ccccc1 ZINC000102863311 555093267 /nfs/dbraw/zinc/09/32/67/555093267.db2.gz UVPFMHSFOUHLIH-DEOSSOPVSA-N 1 0 540.649 4.006 50 0 KIAARO C[NH+](C)[C@H](CNC(=O)CSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc32)o1)c1ccccc1 ZINC000102863313 555093252 /nfs/dbraw/zinc/09/32/52/555093252.db2.gz UVPFMHSFOUHLIH-XMMPIXPASA-N 1 0 540.649 4.006 50 0 KIAARO Cc1cc(-c2c(C)nc3scc(CC(=O)N(CC[NH+](C)C)Cc4ccccc4)n3c2=O)nn1-c1ccccc1F ZINC000102902513 555140722 /nfs/dbraw/zinc/14/07/22/555140722.db2.gz POXNCGWXOBPPNS-UHFFFAOYSA-N 1 0 558.683 4.498 50 0 KIAARO CC[NH+](CC)CCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000102923089 555147784 /nfs/dbraw/zinc/14/77/84/555147784.db2.gz FYCZORYZQOMFIS-UHFFFAOYSA-N 1 0 539.702 4.099 50 0 KIAARO O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000102926072 555150346 /nfs/dbraw/zinc/15/03/46/555150346.db2.gz QVSCURMOJVADFO-UHFFFAOYSA-N 1 0 537.657 4.158 50 0 KIAARO O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000102928499 555153998 /nfs/dbraw/zinc/15/39/98/555153998.db2.gz OGPBKGXMNRXIQC-UHFFFAOYSA-N 1 0 547.721 4.338 50 0 KIAARO CC1(C)CC(NC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCCC4)c3)n2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000102928687 555154541 /nfs/dbraw/zinc/15/45/41/555154541.db2.gz LXLUAAYNEOCOCK-UHFFFAOYSA-N 1 0 582.796 4.236 50 0 KIAARO CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)N2C(CC(=O)N3CC[NH+](C4CCCC4)CC3)=CSC2=N1 ZINC000102936613 555164231 /nfs/dbraw/zinc/16/42/31/555164231.db2.gz HXRFRXRNNFUYRE-SANMLTNESA-N 1 0 524.687 4.310 50 0 KIAARO CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)N2C(CC(=O)N3CC[NH+](C4CCCC4)CC3)=CSC2=N1 ZINC000102936616 555164427 /nfs/dbraw/zinc/16/44/27/555164427.db2.gz HXRFRXRNNFUYRE-AREMUKBSSA-N 1 0 524.687 4.310 50 0 KIAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC[NH+]3CCCCC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102938356 555166680 /nfs/dbraw/zinc/16/66/80/555166680.db2.gz MHURWNSPAZPFHJ-NYDCQLBNSA-N 1 0 593.728 4.485 50 0 KIAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCC[NH+]3CCCCC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102938360 555166691 /nfs/dbraw/zinc/16/66/91/555166691.db2.gz MHURWNSPAZPFHJ-BHDXBOSCSA-N 1 0 593.728 4.485 50 0 KIAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC[NH+]3CCCCC3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102938362 555166633 /nfs/dbraw/zinc/16/66/33/555166633.db2.gz MHURWNSPAZPFHJ-PPTMTGTBSA-N 1 0 593.728 4.485 50 0 KIAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCC[NH+]3CCCCC3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000102938364 555166698 /nfs/dbraw/zinc/16/66/98/555166698.db2.gz MHURWNSPAZPFHJ-QLWXXVCSSA-N 1 0 593.728 4.485 50 0 KIAARO CCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cc(C)ccc1C ZINC000102940362 555168914 /nfs/dbraw/zinc/16/89/14/555168914.db2.gz VYRPCEZERLCVNJ-HXUWFJFHSA-N 1 0 510.582 4.052 50 0 KIAARO CCOC(=O)C1=C(C(F)(F)F)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cc(C)ccc1C ZINC000102940365 555168962 /nfs/dbraw/zinc/16/89/62/555168962.db2.gz VYRPCEZERLCVNJ-FQEVSTJZSA-N 1 0 510.582 4.052 50 0 KIAARO CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2F)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102940528 555169203 /nfs/dbraw/zinc/16/92/03/555169203.db2.gz XZDHAGSFTQZAPF-VWLOTQADSA-N 1 0 508.619 4.212 50 0 KIAARO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2F)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102940530 555169209 /nfs/dbraw/zinc/16/92/09/555169209.db2.gz XZDHAGSFTQZAPF-RUZDIDTESA-N 1 0 508.619 4.212 50 0 KIAARO CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C(F)(F)F)cc2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102942208 555170388 /nfs/dbraw/zinc/17/03/88/555170388.db2.gz DYLQPEPKRJSNQE-NRFANRHFSA-N 1 0 510.582 4.300 50 0 KIAARO CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C(F)(F)F)cc2)N2C(CC(=O)NCC[NH+](C)C)=CSC2=N1 ZINC000102942209 555170376 /nfs/dbraw/zinc/17/03/76/555170376.db2.gz DYLQPEPKRJSNQE-OAQYLSRUSA-N 1 0 510.582 4.300 50 0 KIAARO Cc1c(NS(=O)(=O)c2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000102997868 555197127 /nfs/dbraw/zinc/19/71/27/555197127.db2.gz DSLUXBDALIVQLN-UHFFFAOYSA-N 1 0 594.137 4.333 50 0 KIAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103002128 555201722 /nfs/dbraw/zinc/20/17/22/555201722.db2.gz NZAMWYOVJPKKPX-MYRJMEBBSA-N 1 0 511.597 4.387 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103002206 555201680 /nfs/dbraw/zinc/20/16/80/555201680.db2.gz KUJOIVIWNRGGNW-OWLPFRGLSA-N 1 0 529.637 4.094 50 0 KIAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@H]12 ZINC000103006225 555203879 /nfs/dbraw/zinc/20/38/79/555203879.db2.gz RAJVZILTUPWMMI-OWLPFRGLSA-N 1 0 543.023 4.228 50 0 KIAARO CCCCN1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C1=O ZINC000103010927 555205945 /nfs/dbraw/zinc/20/59/45/555205945.db2.gz IAIXAIAYQAHPPU-PGTSUSQTSA-N 1 0 512.075 4.208 50 0 KIAARO CCCCN1C(=O)[C@@H]2[C@H](CCSC)[NH2+][C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C1=O ZINC000103010935 555205903 /nfs/dbraw/zinc/20/59/03/555205903.db2.gz IAIXAIAYQAHPPU-WAHZDWKKSA-N 1 0 512.075 4.208 50 0 KIAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 ZINC000103012711 555207424 /nfs/dbraw/zinc/20/74/24/555207424.db2.gz LOQVKPCNCFQWLI-UHFFFAOYSA-N 1 0 545.683 4.089 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000103013299 555207626 /nfs/dbraw/zinc/20/76/26/555207626.db2.gz XRBHBAWULXUMMS-XRLCUDTISA-N 1 0 515.610 4.099 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@@]4(c5ccccc5N(Cc5ccc(F)cc5)C4=O)[C@H]3C2=O)cc1 ZINC000103013331 555207715 /nfs/dbraw/zinc/20/77/15/555207715.db2.gz JSPMUFWEVAPLAK-DLMLISOQSA-N 1 0 554.622 4.350 50 0 KIAARO CC(=O)Nc1ccc(N2C(=O)[C@@H]3[C@H](CC(C)C)[NH2+][C@]4(c5ccccc5N(Cc5ccc(F)cc5)C4=O)[C@H]3C2=O)cc1 ZINC000103013338 555207764 /nfs/dbraw/zinc/20/77/64/555207764.db2.gz JSPMUFWEVAPLAK-LEEUKEGWSA-N 1 0 554.622 4.350 50 0 KIAARO CSCC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103013355 555207671 /nfs/dbraw/zinc/20/76/71/555207671.db2.gz NRQARPPRNCHLID-OWLPFRGLSA-N 1 0 529.637 4.094 50 0 KIAARO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccc(F)cc3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103013362 555207747 /nfs/dbraw/zinc/20/77/47/555207747.db2.gz ZRFGCOFGZGFLFM-MYRJMEBBSA-N 1 0 511.597 4.387 50 0 KIAARO CCN1CCc2nc3ccccc3c(C(=O)NCCN3C(=O)S/C(=C/c4ccc(OC)c(OC)c4)C3=O)c2C1 ZINC000103025453 555215678 /nfs/dbraw/zinc/21/56/78/555215678.db2.gz FLZQSJLURIQHEV-PCLIKHOPSA-N 1 0 546.649 4.096 50 0 KIAARO CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000103046227 555228310 /nfs/dbraw/zinc/22/83/10/555228310.db2.gz OJSPBFWCENTREF-UHFFFAOYSA-N 1 0 570.133 4.011 50 0 KIAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000103057514 555238393 /nfs/dbraw/zinc/23/83/93/555238393.db2.gz RKQSIIXGRIRTMC-FIBWVYCGSA-N 1 0 586.136 4.334 50 0 KIAARO CN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000103057517 555238408 /nfs/dbraw/zinc/23/84/08/555238408.db2.gz RKQSIIXGRIRTMC-BHBYDHKZSA-N 1 0 586.136 4.334 50 0 KIAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000103057520 555238347 /nfs/dbraw/zinc/23/83/47/555238347.db2.gz RKQSIIXGRIRTMC-OFSOJUDTSA-N 1 0 586.136 4.334 50 0 KIAARO CN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000103057522 555238329 /nfs/dbraw/zinc/23/83/29/555238329.db2.gz RKQSIIXGRIRTMC-POURPWNDSA-N 1 0 586.136 4.334 50 0 KIAARO CCN1C2=C(C(=O)N([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058266 555239053 /nfs/dbraw/zinc/23/90/53/555239053.db2.gz VCKKPIZFNAWEJF-QYBDOPJKSA-N 1 0 570.521 4.345 50 0 KIAARO CCN1C2=C(C(=O)N([C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058268 555239113 /nfs/dbraw/zinc/23/91/13/555239113.db2.gz VCKKPIZFNAWEJF-HFJWLAOPSA-N 1 0 570.521 4.345 50 0 KIAARO CCN1C2=C(C(=O)N([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058269 555239089 /nfs/dbraw/zinc/23/90/89/555239089.db2.gz VCKKPIZFNAWEJF-DWXRJYCRSA-N 1 0 570.521 4.345 50 0 KIAARO CCN1C2=C(C(=O)N([C@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C2)[C@@H](c2ccc(Cl)cc2Cl)NC1=O ZINC000103058271 555239158 /nfs/dbraw/zinc/23/91/58/555239158.db2.gz VCKKPIZFNAWEJF-WXTAPIANSA-N 1 0 570.521 4.345 50 0 KIAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000103059416 555239677 /nfs/dbraw/zinc/23/96/77/555239677.db2.gz ZRNVJYCBMOBCGE-FIBWVYCGSA-N 1 0 559.755 4.491 50 0 KIAARO CCN1C2=C(C(=O)N([C@@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000103059422 555239681 /nfs/dbraw/zinc/23/96/81/555239681.db2.gz ZRNVJYCBMOBCGE-BHBYDHKZSA-N 1 0 559.755 4.491 50 0 KIAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@H](c2ccc(C)cc2C)NC1=O ZINC000103059424 555239622 /nfs/dbraw/zinc/23/96/22/555239622.db2.gz ZRNVJYCBMOBCGE-OFSOJUDTSA-N 1 0 559.755 4.491 50 0 KIAARO CCN1C2=C(C(=O)N([C@H](CC(C)C)C(=O)N(CC[NH+](C)C)Cc3ccccc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000103059426 555239662 /nfs/dbraw/zinc/23/96/62/555239662.db2.gz ZRNVJYCBMOBCGE-POURPWNDSA-N 1 0 559.755 4.491 50 0 KIAARO C[NH+](C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2cccc(Cl)c2)C1 ZINC000103064601 555245207 /nfs/dbraw/zinc/24/52/07/555245207.db2.gz IFWGRQXMTIYNRE-HLPJKERBSA-N 1 0 535.056 4.312 50 0 KIAARO C[NH+](C)CCNC(=O)[C@]1(OCc2ccccc2F)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2cccc(Cl)c2)C1 ZINC000103064605 555245227 /nfs/dbraw/zinc/24/52/27/555245227.db2.gz IFWGRQXMTIYNRE-YKKMPQLRSA-N 1 0 535.056 4.312 50 0 KIAARO C[NH+](C)[C@@H](CNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1)c1ccccc1 ZINC000103068040 555248546 /nfs/dbraw/zinc/24/85/46/555248546.db2.gz WRKDEEOODWIISH-QFIPXVFZSA-N 1 0 541.471 4.312 50 0 KIAARO C[NH+](C)[C@H](CNC(=O)CSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1)c1ccccc1 ZINC000103068043 555248571 /nfs/dbraw/zinc/24/85/71/555248571.db2.gz WRKDEEOODWIISH-JOCHJYFZSA-N 1 0 541.471 4.312 50 0 KIAARO COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000103086516 555265213 /nfs/dbraw/zinc/26/52/13/555265213.db2.gz DPUUKBJZHAYHRJ-LJAQVGFWSA-N 1 0 558.679 4.217 50 0 KIAARO COc1ccc(C2=NN(C(=O)CN3CCN(Cc4ccccc4)CC3)[C@@H](c3cc(OC)ccc3OC)C2)c(OC)c1 ZINC000103086518 555265162 /nfs/dbraw/zinc/26/51/62/555265162.db2.gz DPUUKBJZHAYHRJ-GDLZYMKVSA-N 1 0 558.679 4.217 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccs2)cc1 ZINC000103091973 555270933 /nfs/dbraw/zinc/27/09/33/555270933.db2.gz PEGNBHXFRPCTHM-XMMPIXPASA-N 1 0 541.743 4.087 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccs2)cc1 ZINC000103091977 555270918 /nfs/dbraw/zinc/27/09/18/555270918.db2.gz PEGNBHXFRPCTHM-DEOSSOPVSA-N 1 0 541.743 4.087 50 0 KIAARO COc1ccc(C[N@@H+]2CCCN(c3ccc(NC(=O)COc4ccc(Cl)cc4)cn3)CC2)c(OC)c1OC ZINC000103263690 555346879 /nfs/dbraw/zinc/34/68/79/555346879.db2.gz HHMYSBMYIAZKAJ-UHFFFAOYSA-N 1 0 541.048 4.491 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc(F)cc2F)cc1 ZINC000103286982 555352988 /nfs/dbraw/zinc/35/29/88/555352988.db2.gz RIUYJKDBQURPQZ-AREMUKBSSA-N 1 0 571.694 4.304 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc(F)cc2F)cc1 ZINC000103286984 555352973 /nfs/dbraw/zinc/35/29/73/555352973.db2.gz RIUYJKDBQURPQZ-SANMLTNESA-N 1 0 571.694 4.304 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103288376 555353874 /nfs/dbraw/zinc/35/38/74/555353874.db2.gz JZTZTEWWFLMTGB-MHZLTWQESA-N 1 0 563.724 4.054 50 0 KIAARO Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103288379 555353884 /nfs/dbraw/zinc/35/38/84/555353884.db2.gz JZTZTEWWFLMTGB-HHHXNRCGSA-N 1 0 563.724 4.054 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103294348 555354213 /nfs/dbraw/zinc/35/42/13/555354213.db2.gz KQJNRJOLGQFOSJ-PMERELPUSA-N 1 0 587.677 4.254 50 0 KIAARO C[NH+](C)CCNC(=O)CN1c2c(c(-c3ccccc3)nn2-c2ccc(F)cc2)[C@@H](c2ccc3c(c2)OCO3)SCC1=O ZINC000103294350 555354202 /nfs/dbraw/zinc/35/42/02/555354202.db2.gz KQJNRJOLGQFOSJ-SSEXGKCCSA-N 1 0 587.677 4.254 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2OC)cc1 ZINC000103299939 555355514 /nfs/dbraw/zinc/35/55/14/555355514.db2.gz CASJWYRRXXAEBP-HHHXNRCGSA-N 1 0 565.740 4.034 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2OC)cc1 ZINC000103299941 555355456 /nfs/dbraw/zinc/35/54/56/555355456.db2.gz CASJWYRRXXAEBP-MHZLTWQESA-N 1 0 565.740 4.034 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(F)c2)cc1 ZINC000103302585 555355775 /nfs/dbraw/zinc/35/57/75/555355775.db2.gz TYAAYOUBMGIQSF-AREMUKBSSA-N 1 0 553.704 4.165 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(F)c2)cc1 ZINC000103302588 555355751 /nfs/dbraw/zinc/35/57/51/555355751.db2.gz TYAAYOUBMGIQSF-SANMLTNESA-N 1 0 553.704 4.165 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2cccc(C)c2)cc1 ZINC000103302709 555356037 /nfs/dbraw/zinc/35/60/37/555356037.db2.gz JZWOPIVOTHVHDK-HHHXNRCGSA-N 1 0 549.741 4.334 50 0 KIAARO COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2cccc(C)c2)cc1 ZINC000103302711 555356097 /nfs/dbraw/zinc/35/60/97/555356097.db2.gz JZWOPIVOTHVHDK-MHZLTWQESA-N 1 0 549.741 4.334 50 0 KIAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103302715 555356101 /nfs/dbraw/zinc/35/61/01/555356101.db2.gz XCZBOCLEYVKXRM-HKBQPEDESA-N 1 0 583.714 4.423 50 0 KIAARO Cc1ccc(-n2nc(-c3ccccc3)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)cc1 ZINC000103302720 555356071 /nfs/dbraw/zinc/35/60/71/555356071.db2.gz XCZBOCLEYVKXRM-WJOKGBTCSA-N 1 0 583.714 4.423 50 0 KIAARO COc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccc(OC)cc3)cn2-c2ccc(OC)cc2)cc1 ZINC000103306228 555356403 /nfs/dbraw/zinc/35/64/03/555356403.db2.gz CXUZPPXRXRBSME-UHFFFAOYSA-N 1 0 557.651 4.208 50 0 KIAARO COc1ccc(-c2cn(-c3ccc(OC)cc3)c(NC(=O)CN(CC[NH+](C)C)C(=O)c3ccccc3F)n2)cc1 ZINC000103306266 555356376 /nfs/dbraw/zinc/35/63/76/555356376.db2.gz DPPBNCIHJJKTGX-UHFFFAOYSA-N 1 0 545.615 4.338 50 0 KIAARO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000103306624 555356751 /nfs/dbraw/zinc/35/67/51/555356751.db2.gz PEFIGBUCQZTAAL-JOCHJYFZSA-N 1 0 523.625 4.217 50 0 KIAARO CCN(CC)C(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000103306627 555356766 /nfs/dbraw/zinc/35/67/66/555356766.db2.gz PEFIGBUCQZTAAL-QFIPXVFZSA-N 1 0 523.625 4.217 50 0 KIAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103324160 555359036 /nfs/dbraw/zinc/35/90/36/555359036.db2.gz XUQZYXQDJPYNBM-MUUNZHRXSA-N 1 0 564.708 4.480 50 0 KIAARO CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000103324162 555358971 /nfs/dbraw/zinc/35/89/71/555358971.db2.gz XUQZYXQDJPYNBM-NDEPHWFRSA-N 1 0 564.708 4.480 50 0 KIAARO COc1ccc([C@@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427633 555409323 /nfs/dbraw/zinc/40/93/23/555409323.db2.gz AHQULQJWBHNLQF-NDEPHWFRSA-N 1 0 579.767 4.342 50 0 KIAARO COc1ccc([C@H]2SCC(=O)N(CC(=O)NCC[NH+](C)C)c3c2c(C(C)(C)C)nn3-c2cccc(C)c2)cc1OC ZINC000103427635 555409272 /nfs/dbraw/zinc/40/92/72/555409272.db2.gz AHQULQJWBHNLQF-MUUNZHRXSA-N 1 0 579.767 4.342 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccc3c(c2)OCO3)c1 ZINC000103427692 555409331 /nfs/dbraw/zinc/40/93/31/555409331.db2.gz BYQQIBRZEWCPFG-MHZLTWQESA-N 1 0 563.724 4.054 50 0 KIAARO Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccc3c(c2)OCO3)c1 ZINC000103427694 555409315 /nfs/dbraw/zinc/40/93/15/555409315.db2.gz BYQQIBRZEWCPFG-HHHXNRCGSA-N 1 0 563.724 4.054 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)cc1 ZINC000103515660 555423160 /nfs/dbraw/zinc/42/31/60/555423160.db2.gz FELRVRYUVDJZFL-MYECLKKLSA-N 1 0 532.600 4.155 50 0 KIAARO CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4c[nH]c5ccccc45)[NH2+][C@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)cc1 ZINC000103515663 555423152 /nfs/dbraw/zinc/42/31/52/555423152.db2.gz FELRVRYUVDJZFL-XDZDDBEASA-N 1 0 532.600 4.155 50 0 KIAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000103522033 555427015 /nfs/dbraw/zinc/42/70/15/555427015.db2.gz DKJGVCSNCFDAPO-SULKICKNSA-N 1 0 555.034 4.302 50 0 KIAARO COc1ccccc1CN1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O ZINC000103522036 555426983 /nfs/dbraw/zinc/42/69/83/555426983.db2.gz DKJGVCSNCFDAPO-UGBIHLBPSA-N 1 0 555.034 4.302 50 0 KIAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12c1ccccc1NC2=O ZINC000103529186 555429776 /nfs/dbraw/zinc/42/97/76/555429776.db2.gz UTQFEYHQIFMLLP-PCRNJTJGSA-N 1 0 567.642 4.289 50 0 KIAARO CCc1cccc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000103529197 555429962 /nfs/dbraw/zinc/42/99/62/555429962.db2.gz UTQFEYHQIFMLLP-BVMBMWEFSA-N 1 0 567.642 4.289 50 0 KIAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000103531605 555431892 /nfs/dbraw/zinc/43/18/92/555431892.db2.gz SWKHSAVLZHPMIR-ZOUYMJPUSA-N 1 0 569.017 4.084 50 0 KIAARO COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)[NH2+][C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@H]2C1=O ZINC000103531611 555431821 /nfs/dbraw/zinc/43/18/21/555431821.db2.gz SWKHSAVLZHPMIR-JDPBKDCFSA-N 1 0 569.017 4.084 50 0 KIAARO COc1cc(CC2(C[N@@H+]3CCc4cc(OC)c(OC)cc4[C@H]3C)C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1 ZINC000103549654 555442662 /nfs/dbraw/zinc/44/26/62/555442662.db2.gz GVHJDNIENNIFTN-JOCHJYFZSA-N 1 0 601.700 4.490 50 0 KIAARO CCn1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21 ZINC000103627368 555457776 /nfs/dbraw/zinc/45/77/76/555457776.db2.gz QTDCNYXUXCZJJR-FGZHOGPDSA-N 1 0 544.762 4.072 50 0 KIAARO COC(=O)c1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCN(C)CC4)cc3s2)cc1 ZINC000103801022 555481820 /nfs/dbraw/zinc/48/18/20/555481820.db2.gz ZUGRWZIEVLLYJC-UHFFFAOYSA-N 1 0 603.726 4.454 50 0 KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@]12c1ccccc1NC2=O ZINC000104111320 571374069 /nfs/dbraw/zinc/37/40/69/571374069.db2.gz YAONODVEIISWDZ-SCNFEJEJSA-N 1 0 567.642 4.289 50 0 KIAARO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@]12c1ccccc1NC2=O ZINC000104111334 571374127 /nfs/dbraw/zinc/37/41/27/571374127.db2.gz YAONODVEIISWDZ-HUVBXKCFSA-N 1 0 567.642 4.289 50 0 KIAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000104147821 571375238 /nfs/dbraw/zinc/37/52/38/571375238.db2.gz MZUZKIUPPMKQBW-DRSMIVCTSA-N 1 0 560.695 4.278 50 0 KIAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000104147825 571375228 /nfs/dbraw/zinc/37/52/28/571375228.db2.gz MZUZKIUPPMKQBW-QJTKOPTISA-N 1 0 560.695 4.278 50 0 KIAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2c(F)cccc2F)C1 ZINC000104765973 571385883 /nfs/dbraw/zinc/38/58/83/571385883.db2.gz INYTZFBTLRHGKR-RVFQGNMQSA-N 1 0 551.432 4.409 50 0 KIAARO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@]2(O)c3cc(Br)ccc3NC(=O)N2c2c(F)cccc2F)C1 ZINC000104765977 571385885 /nfs/dbraw/zinc/38/58/85/571385885.db2.gz INYTZFBTLRHGKR-RKPUJPDHSA-N 1 0 551.432 4.409 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000104765985 571385872 /nfs/dbraw/zinc/38/58/72/571385872.db2.gz IBYZYYYSRLEXCR-VFUKXHBFSA-N 1 0 575.504 4.148 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000104765990 571385853 /nfs/dbraw/zinc/38/58/53/571385853.db2.gz IBYZYYYSRLEXCR-WNGDZKDKSA-N 1 0 575.504 4.148 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000104766082 571385881 /nfs/dbraw/zinc/38/58/81/571385881.db2.gz OXKILGWSPVMTEL-SPTGULJVSA-N 1 0 553.700 4.402 50 0 KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cc(C)ccc3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000104821971 571386466 /nfs/dbraw/zinc/38/64/66/571386466.db2.gz TXAPGBAUFDPOSG-ALMDLERYSA-N 1 0 507.590 4.408 50 0 KIAARO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(c3cccc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000104821990 571386595 /nfs/dbraw/zinc/38/65/95/571386595.db2.gz GPMILASLXAYRTN-APVDNHQMSA-N 1 0 507.590 4.408 50 0 KIAARO COc1cccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCC[NH+]4CCCCC4)[C@@H]3C2)c1 ZINC000104919448 571387589 /nfs/dbraw/zinc/38/75/89/571387589.db2.gz NBQSZFLUDMORBY-RSXGOPAZSA-N 1 0 516.608 4.184 50 0 KIAARO COc1cccc(C[N@H+](C[C@H](O)COc2ccccc2C)C[C@H]2CC(c3ccc4c(c3)OCO4)=NO2)c1 ZINC000104984879 571388667 /nfs/dbraw/zinc/38/86/67/571388667.db2.gz WUEXAOZTKFVTOH-UKILVPOCSA-N 1 0 504.583 4.167 50 0 KIAARO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000105000655 571388979 /nfs/dbraw/zinc/38/89/79/571388979.db2.gz NZBSVQLXLNPCKV-OFVILXPXSA-N 1 0 533.555 4.146 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000105002886 571389021 /nfs/dbraw/zinc/38/90/21/571389021.db2.gz POQNMWMWIPHREA-SQJMNOBHSA-N 1 0 504.693 4.007 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@H](O)COCc1ccccc1 ZINC000105002904 571389015 /nfs/dbraw/zinc/38/90/15/571389015.db2.gz RJFMPNNVDBXCAH-AZGAKELHSA-N 1 0 508.684 4.461 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000105004920 571389132 /nfs/dbraw/zinc/38/91/32/571389132.db2.gz LXOJYNQVJHHLPT-UKILVPOCSA-N 1 0 524.683 4.161 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000105004987 571389195 /nfs/dbraw/zinc/38/91/95/571389195.db2.gz HLXWXFBESWLDCV-SQJMNOBHSA-N 1 0 516.635 4.275 50 0 KIAARO O=C(Nc1ccc(N2CCC[N@@H+](C[C@@H](O)COCc3ccco3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000105032647 571389998 /nfs/dbraw/zinc/38/99/98/571389998.db2.gz BEPDAEBACFQSBB-JOCHJYFZSA-N 1 0 518.536 4.036 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000105060340 571390705 /nfs/dbraw/zinc/39/07/05/571390705.db2.gz GFPNVRUITGINDD-PIKZIKFNSA-N 1 0 505.659 4.445 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000105060442 571390750 /nfs/dbraw/zinc/39/07/50/571390750.db2.gz JHIRAXCFJFOOGW-PIKZIKFNSA-N 1 0 531.678 4.496 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000105060723 571390678 /nfs/dbraw/zinc/39/06/78/571390678.db2.gz MQQKNYPCXMMLED-HRFSGMKKSA-N 1 0 517.651 4.106 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCN(C(=O)COc2ccccc2)CC1 ZINC000105061311 571390985 /nfs/dbraw/zinc/39/09/85/571390985.db2.gz GULQGEAZBYHNJZ-DFHRPNOPSA-N 1 0 503.668 4.142 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000105061437 571391043 /nfs/dbraw/zinc/39/10/43/571391043.db2.gz VGEXOGXIAHRGMT-WHLCRQNOSA-N 1 0 535.641 4.327 50 0 KIAARO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000105061533 571391038 /nfs/dbraw/zinc/39/10/38/571391038.db2.gz IFHWSOGJJCARTE-AMGIVPHBSA-N 1 0 523.724 4.316 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000105062162 571391006 /nfs/dbraw/zinc/39/10/06/571391006.db2.gz WLWFIFVPRGEBMO-NFQMXDRXSA-N 1 0 527.687 4.146 50 0 KIAARO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000105074065 562825133 /nfs/dbraw/zinc/82/51/33/562825133.db2.gz QEVHRUUCFGRFIF-LSEYOPQVSA-N 1 0 608.688 4.171 50 0 in-vitro KIAARO O=C(c1ccccc1)c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CC[NH2+]CC3)n2)cc1 ZINC000105302399 571392668 /nfs/dbraw/zinc/39/26/68/571392668.db2.gz UTDOMYMDHOGBPE-UHFFFAOYSA-N 1 0 526.441 4.128 50 0 KIAARO Cc1cccc(OC[C@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COCC(C)C)CC2CC2)c1 ZINC000105750848 571408396 /nfs/dbraw/zinc/40/83/96/571408396.db2.gz KELSOSNTOYLBPG-BVAGGSTKSA-N 1 0 500.705 4.307 50 0 KIAARO Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]2[C@H]2CCC[N@@H+]21 ZINC000107176723 571419771 /nfs/dbraw/zinc/41/97/71/571419771.db2.gz BGHVDJNBCWPPKQ-HCWCBTOOSA-N 1 0 503.908 4.407 50 0 KIAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449059 571424519 /nfs/dbraw/zinc/42/45/19/571424519.db2.gz FTQODULAWMAJLG-KHGZIGHDSA-N 1 0 608.780 4.290 50 0 biogenic KIAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108449062 571424510 /nfs/dbraw/zinc/42/45/10/571424510.db2.gz FTQODULAWMAJLG-WSHBGFIESA-N 1 0 608.780 4.290 50 0 biogenic KIAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449694 571424851 /nfs/dbraw/zinc/42/48/51/571424851.db2.gz HFAOQNPXYHYLQK-ZTOMLWHTSA-N 1 0 628.770 4.444 50 0 biogenic KIAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450134 193925484 /nfs/dbraw/zinc/92/54/84/193925484.db2.gz CYZJRIVFPHFFRD-VWLOTQADSA-N 1 0 608.780 4.481 50 0 biogenic KIAARO COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108450530 193926083 /nfs/dbraw/zinc/92/60/83/193926083.db2.gz CFEODYJCHRJFRS-NDEPHWFRSA-N 1 0 614.743 4.056 50 0 biogenic KIAARO C[C@H](Sc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000108949485 571427849 /nfs/dbraw/zinc/42/78/49/571427849.db2.gz XOEZVZLGFRVVCM-DEJKCJRPSA-N 1 0 530.760 4.010 50 0 KIAARO C[N@@H+]1C2(c3ccccc3)[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000136000081 571449028 /nfs/dbraw/zinc/44/90/28/571449028.db2.gz CVXAESRWEMSDTL-LXWBOOKASA-N 1 0 553.618 4.348 50 0 KIAARO CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000136620700 571449676 /nfs/dbraw/zinc/44/96/76/571449676.db2.gz HWDPFJYBEWFTIK-VKDGWMQASA-N 1 0 503.908 4.204 50 0 KIAARO CC(=O)Oc1c(C)cc(OC[C@H](O)C[N@H+](C[C@H](O)COc2cc(C)c(OC(C)=O)c(C)c2C)C(C)C)c(C)c1C ZINC000138586054 571451424 /nfs/dbraw/zinc/45/14/24/571451424.db2.gz HXGOATCEUNDBBC-MKPDMIMOSA-N 1 0 559.700 4.278 50 0 KIAARO CC(=O)Oc1c(C)cc(OC[C@@H](O)C[NH+](C[C@H](O)COc2cc(C)c(OC(C)=O)c(C)c2C)C(C)C)c(C)c1C ZINC000138586180 571451529 /nfs/dbraw/zinc/45/15/29/571451529.db2.gz HXGOATCEUNDBBC-SVBPBHIXSA-N 1 0 559.700 4.278 50 0 KIAARO CC(=O)Oc1c(C)cc(OC[C@H](O)C[NH+](C[C@@H](O)COc2cc(C)c(OC(C)=O)c(C)c2C)C(C)C)c(C)c1C ZINC000138586325 571451546 /nfs/dbraw/zinc/45/15/46/571451546.db2.gz HXGOATCEUNDBBC-KAYWLYCHSA-N 1 0 559.700 4.278 50 0 KIAARO C[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1 ZINC000139929867 571454288 /nfs/dbraw/zinc/45/42/88/571454288.db2.gz PWDLXPJQFNVTNL-UHFFFAOYSA-N 1 0 501.513 4.261 50 0 in-vitro KIAARO Fc1ccc2[nH]ccc2c1-c1nc2cc(CN3CC[NH+](CC4CC4)CC3)sc2c(N2CCOCC2)n1 ZINC000144899724 571456479 /nfs/dbraw/zinc/45/64/79/571456479.db2.gz YDNOHCOYQVZOMC-UHFFFAOYSA-N 1 0 506.651 4.343 50 0 in-vitro KIAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccccc2F)C(=O)CN2C[C@H](c3ccccc3)NC2=S)CC1 ZINC000150346451 571460492 /nfs/dbraw/zinc/46/04/92/571460492.db2.gz XIIYNOIHKVMRGR-WJOKGBTCSA-N 1 0 644.817 4.025 50 0 KIAARO C[NH+]1CCC(C(=O)Nc2ccc(N3CCOCC3)cc2)(N(Cc2ccccc2F)C(=O)CN2C[C@@H](c3ccccc3)NC2=S)CC1 ZINC000150346455 571460453 /nfs/dbraw/zinc/46/04/53/571460453.db2.gz XIIYNOIHKVMRGR-HKBQPEDESA-N 1 0 644.817 4.025 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150390579 571472840 /nfs/dbraw/zinc/47/28/40/571472840.db2.gz DXZXXARRGIATGD-WJOKGBTCSA-N 1 0 643.810 4.411 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150390580 571472899 /nfs/dbraw/zinc/47/28/99/571472899.db2.gz DXZXXARRGIATGD-HKBQPEDESA-N 1 0 643.810 4.411 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150390582 571472835 /nfs/dbraw/zinc/47/28/35/571472835.db2.gz JHQIALRVKWPAGN-WJOKGBTCSA-N 1 0 643.810 4.411 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000150390584 571472790 /nfs/dbraw/zinc/47/27/90/571472790.db2.gz JHQIALRVKWPAGN-HKBQPEDESA-N 1 0 643.810 4.411 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414298 571485005 /nfs/dbraw/zinc/48/50/05/571485005.db2.gz UHQRFEHZKJWIPE-HKBQPEDESA-N 1 0 643.810 4.411 50 0 KIAARO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414302 571484857 /nfs/dbraw/zinc/48/48/57/571484857.db2.gz UHQRFEHZKJWIPE-WJOKGBTCSA-N 1 0 643.810 4.411 50 0 KIAARO CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418583 571486691 /nfs/dbraw/zinc/48/66/91/571486691.db2.gz URHCWROENAHTPT-HKBQPEDESA-N 1 0 643.810 4.411 50 0 KIAARO CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(C(=O)OC)cc3)N(CCCN3CC[NH+](Cc4ccccc4)CC3)C2=S)cc1 ZINC000150418590 571486674 /nfs/dbraw/zinc/48/66/74/571486674.db2.gz URHCWROENAHTPT-WJOKGBTCSA-N 1 0 643.810 4.411 50 0 KIAARO O=C(NCc1cccnc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677245 571554802 /nfs/dbraw/zinc/55/48/02/571554802.db2.gz JZTBXLQQJINUHG-RSXGOPAZSA-N 1 0 510.560 4.159 50 0 KIAARO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677247 571554784 /nfs/dbraw/zinc/55/47/84/571554784.db2.gz BOEOAFQZTJGXQW-VPUSJEBWSA-N 1 0 524.587 4.201 50 0 KIAARO O=C(NCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCOc3ccccc3)C[C@@H]12 ZINC000169677288 571554869 /nfs/dbraw/zinc/55/48/69/571554869.db2.gz GMQYUOSCHCNZFI-RSXGOPAZSA-N 1 0 510.560 4.159 50 0 KIAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@@H]23)C1 ZINC000169677289 571554717 /nfs/dbraw/zinc/55/47/17/571554717.db2.gz BFCWPGKVBAACHU-RMXYQJDTSA-N 1 0 559.629 4.249 50 0 KIAARO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@@H]23)C1 ZINC000169677291 571554725 /nfs/dbraw/zinc/55/47/25/571554725.db2.gz BFCWPGKVBAACHU-UDZXTKBFSA-N 1 0 559.629 4.249 50 0 KIAARO COc1cccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)c1 ZINC000169677361 571555177 /nfs/dbraw/zinc/55/51/77/571555177.db2.gz FHLPMLUUPLLEOI-RBTNQOKQSA-N 1 0 503.668 4.467 50 0 KIAARO COc1ccc(CCNC(=O)[C@@H]2Cc3ccc(OC)cc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677603 571555036 /nfs/dbraw/zinc/55/50/36/571555036.db2.gz ZBCQQZFUUBIYLQ-PXJZQJOASA-N 1 0 503.618 4.065 50 0 KIAARO COc1ccc(CCNC(=O)[C@H]2Cc3ccc(OC)cc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000169677605 571555043 /nfs/dbraw/zinc/55/50/43/571555043.db2.gz ZBCQQZFUUBIYLQ-YTMVLYRLSA-N 1 0 503.618 4.065 50 0 KIAARO O=C(NCCc1ccccn1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677727 571555344 /nfs/dbraw/zinc/55/53/44/571555344.db2.gz NXKQCAHDPXTDNM-VPUSJEBWSA-N 1 0 508.588 4.365 50 0 KIAARO CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)CC1 ZINC000169677762 571555392 /nfs/dbraw/zinc/55/53/92/571555392.db2.gz FZXGDMNCXSYXIG-VWNXMTODSA-N 1 0 507.597 4.113 50 0 KIAARO CCOC(=O)C1CCN(C(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](C4CCCC4)C[C@@H]23)CC1 ZINC000169677763 571555406 /nfs/dbraw/zinc/55/54/06/571555406.db2.gz FZXGDMNCXSYXIG-UPVQGACJSA-N 1 0 507.597 4.113 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000169677857 571555334 /nfs/dbraw/zinc/55/53/34/571555334.db2.gz ZYVXIIDVLGZARP-BQQUOAEZSA-N 1 0 509.647 4.004 50 0 KIAARO Cc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)C[N@H+](C[C@@H](O)COCC(C)C)CC2CC2)c1 ZINC000169677965 571555576 /nfs/dbraw/zinc/55/55/76/571555576.db2.gz KELSOSNTOYLBPG-ZEQKJWHPSA-N 1 0 500.705 4.307 50 0 KIAARO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000169678038 571555635 /nfs/dbraw/zinc/55/56/35/571555635.db2.gz FOOAQQLGYDPMKP-MGAFBPAPSA-N 1 0 517.592 4.083 50 0 KIAARO C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@H+](CCOc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000169678039 571555582 /nfs/dbraw/zinc/55/55/82/571555582.db2.gz FOOAQQLGYDPMKP-WNBHKESASA-N 1 0 517.592 4.083 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000169678352 571555548 /nfs/dbraw/zinc/55/55/48/571555548.db2.gz HLXWXFBESWLDCV-PXDATVDWSA-N 1 0 516.635 4.275 50 0 KIAARO COc1ccc([C@@H]2c3ccsc3CCN2CC(=O)N2CCN(C(=O)Cc3cccs3)[C@@H](C)C2)cc1 ZINC000169678876 571556079 /nfs/dbraw/zinc/55/60/79/571556079.db2.gz IXGPLWMSPXNWEI-UZTOHYMASA-N 1 0 509.697 4.068 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169680130 571556621 /nfs/dbraw/zinc/55/66/21/571556621.db2.gz LXOJYNQVJHHLPT-ILBGXUMGSA-N 1 0 524.683 4.161 50 0 KIAARO CCC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169680345 571556726 /nfs/dbraw/zinc/55/67/26/571556726.db2.gz POQNMWMWIPHREA-PXDATVDWSA-N 1 0 504.693 4.007 50 0 KIAARO CC[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1C)C[C@@H](O)COCc1ccccc1 ZINC000169681042 571557422 /nfs/dbraw/zinc/55/74/22/571557422.db2.gz RJFMPNNVDBXCAH-AOYPEHQESA-N 1 0 508.684 4.461 50 0 KIAARO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169681749 571557566 /nfs/dbraw/zinc/55/75/66/571557566.db2.gz NWVAOZRFCFUSLD-VPUSJEBWSA-N 1 0 503.618 4.065 50 0 KIAARO COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3N3CC[N@H+](Cc4ccc(F)cc4)C[C@@H]23)cc1OC ZINC000169681750 571557432 /nfs/dbraw/zinc/55/74/32/571557432.db2.gz NWVAOZRFCFUSLD-BDYUSTAISA-N 1 0 503.618 4.065 50 0 KIAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000169681974 571557701 /nfs/dbraw/zinc/55/77/01/571557701.db2.gz GKBQNCWOXQEVFM-PXDATVDWSA-N 1 0 516.635 4.273 50 0 KIAARO COc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000169691972 571558587 /nfs/dbraw/zinc/55/85/87/571558587.db2.gz IBYZYYYSRLEXCR-URAKLDTCSA-N 1 0 575.504 4.148 50 0 KIAARO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC ZINC000169769839 571560038 /nfs/dbraw/zinc/56/00/38/571560038.db2.gz VRACALNQPUJABJ-XFDCLTQUSA-N 1 0 553.700 4.116 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3[C@@H]12 ZINC000169774570 571560201 /nfs/dbraw/zinc/56/02/01/571560201.db2.gz UXJUIVILUHYBDS-FQNJNTOFSA-N 1 0 505.659 4.311 50 0 KIAARO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)N(Cc1ccc2c(c1)OCO2)C3=O ZINC000169793864 571560537 /nfs/dbraw/zinc/56/05/37/571560537.db2.gz MZUZKIUPPMKQBW-VOSQCMCKSA-N 1 0 560.695 4.278 50 0 KIAARO CCOC(=O)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCCCC2)cc1 ZINC000206595949 571572867 /nfs/dbraw/zinc/57/28/67/571572867.db2.gz RMVQATNWRFSAQQ-UHFFFAOYSA-N 1 0 514.673 4.242 50 0 KIAARO COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC[NH+]2CCCCC2)cc1OC ZINC000206596122 571572816 /nfs/dbraw/zinc/57/28/16/571572816.db2.gz UIJWGNCKBFAGLD-UHFFFAOYSA-N 1 0 502.662 4.082 50 0 KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000225399799 571769398 /nfs/dbraw/zinc/76/93/98/571769398.db2.gz ZQWVGLDRLIAEND-AXBJABAESA-N 1 0 586.733 4.359 50 0 KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000225399843 571769385 /nfs/dbraw/zinc/76/93/85/571769385.db2.gz ZQWVGLDRLIAEND-GWKPCNLLSA-N 1 0 586.733 4.359 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000229633788 572158381 /nfs/dbraw/zinc/15/83/81/572158381.db2.gz XWGPXGCFZNGUDZ-DXSIMJTGSA-N 1 0 569.017 4.069 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000229646371 572159133 /nfs/dbraw/zinc/15/91/33/572159133.db2.gz DXBFPRWETVBCRR-DXSIMJTGSA-N 1 0 569.017 4.022 50 0 KIAARO Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(c5ccccc5-n5c4nc4ccccc4c5=O)[C@H]3C2=O)c(Br)c1 ZINC000229840426 572160810 /nfs/dbraw/zinc/16/08/10/572160810.db2.gz XGTAZIYDLPBMST-INVAMZEASA-N 1 0 567.443 4.297 50 0 KIAARO O=C1Nc2ccc(Cl)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]1[C@@H]1CCCN12 ZINC000229898183 572166710 /nfs/dbraw/zinc/16/67/10/572166710.db2.gz ZDTVFGUKJSPSJL-SUWCGCSTSA-N 1 0 510.299 4.443 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]21 ZINC000230016655 572178956 /nfs/dbraw/zinc/17/89/56/572178956.db2.gz XWGPXGCFZNGUDZ-ZAKUWVFASA-N 1 0 569.017 4.069 50 0 KIAARO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[NH2+][C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]21 ZINC000230028150 572180196 /nfs/dbraw/zinc/18/01/96/572180196.db2.gz DXBFPRWETVBCRR-ZAKUWVFASA-N 1 0 569.017 4.022 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000230068463 572182362 /nfs/dbraw/zinc/18/23/62/572182362.db2.gz OXKILGWSPVMTEL-AUDJAPFVSA-N 1 0 553.700 4.402 50 0 KIAARO CC[N@H+](CCCNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1)Cc1ccccc1 ZINC000230069912 572182333 /nfs/dbraw/zinc/18/23/33/572182333.db2.gz ISEYYJNWPMXJOQ-NSOVKSMOSA-N 1 0 516.642 4.038 50 0 KIAARO CC[N@H+](CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1cccnc1)Cc1ccccc1 ZINC000230069917 572182255 /nfs/dbraw/zinc/18/22/55/572182255.db2.gz ISEYYJNWPMXJOQ-IZLXSDGUSA-N 1 0 516.642 4.038 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1F)N(C)C2=O ZINC000230071276 572182320 /nfs/dbraw/zinc/18/23/20/572182320.db2.gz ILHXCVGIXMLMEU-NPHPFRHUSA-N 1 0 511.638 4.238 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)o1 ZINC000245228590 572205278 /nfs/dbraw/zinc/20/52/78/572205278.db2.gz UZMOFRIJSVMATD-FCHUYYIVSA-N 1 0 519.694 4.443 50 0 KIAARO CC[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)o1 ZINC000245228591 572205370 /nfs/dbraw/zinc/20/53/70/572205370.db2.gz UZMOFRIJSVMATD-VXKWHMMOSA-N 1 0 519.694 4.443 50 0 KIAARO COc1cc2c(cc1OC)[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H](c1ccccc1F)N(C)C2=O ZINC000245235228 572210129 /nfs/dbraw/zinc/21/01/29/572210129.db2.gz ILHXCVGIXMLMEU-QCOILQKOSA-N 1 0 511.638 4.238 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000245235880 572210157 /nfs/dbraw/zinc/21/01/57/572210157.db2.gz OXKILGWSPVMTEL-UEFPSYNTSA-N 1 0 553.700 4.402 50 0 KIAARO CC[C@@H]1[NH2+][C@@]2(c3ccccc3N(Cc3ccccc3Cl)C2=O)[C@H]2C(=O)N(c3ccc(NC(C)=O)cc3)C(=O)[C@@H]12 ZINC000245236242 572210660 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572222572 /nfs/dbraw/zinc/22/25/72/572222572.db2.gz NZAMWYOVJPKKPX-BKZIBCHUSA-N 1 0 511.597 4.387 50 0 KIAARO CC(C)COC[C@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245289726 572226119 /nfs/dbraw/zinc/22/61/19/572226119.db2.gz DSJPFJDMBRTJES-RCZVLFRGSA-N 1 0 504.668 4.138 50 0 KIAARO CC(C)COC[C@@H](O)C[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)CC1CC1 ZINC000245289727 572226311 /nfs/dbraw/zinc/22/63/11/572226311.db2.gz DSJPFJDMBRTJES-WIOPSUGQSA-N 1 0 504.668 4.138 50 0 KIAARO CC(C)[N@@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@H](O)COCc1ccco1 ZINC000245289970 572226165 /nfs/dbraw/zinc/22/61/65/572226165.db2.gz GKBQNCWOXQEVFM-SQJMNOBHSA-N 1 0 516.635 4.273 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000245326145 572232431 /nfs/dbraw/zinc/23/24/31/572232431.db2.gz DJFPOBBNXZBAQO-WVXBCFDCSA-N 1 0 517.695 4.362 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)COCc1ccccc1 ZINC000245326149 572232411 /nfs/dbraw/zinc/23/24/11/572232411.db2.gz DJFPOBBNXZBAQO-YUDQIZAISA-N 1 0 517.695 4.362 50 0 KIAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000245327262 572233552 /nfs/dbraw/zinc/23/35/52/572233552.db2.gz NUZSQHLDDOYCAN-GOIZPCHYSA-N 1 0 514.944 4.128 50 0 KIAARO O=C1Nc2ccccc2[C@@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]12 ZINC000245327264 572233607 /nfs/dbraw/zinc/23/36/07/572233607.db2.gz NUZSQHLDDOYCAN-KVOKEACQSA-N 1 0 514.944 4.128 50 0 KIAARO O=C1Nc2ccccc2[C@]12[NH2+][C@@H](Cc1c[nH]c3ccccc13)[C@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]12 ZINC000245327267 572233499 /nfs/dbraw/zinc/23/34/99/572233499.db2.gz NUZSQHLDDOYCAN-NLJXWPIHSA-N 1 0 514.944 4.128 50 0 KIAARO COc1cccc(C(=O)N2CCN(C(=O)CN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c1 ZINC000245327923 572234493 /nfs/dbraw/zinc/23/44/93/572234493.db2.gz LOBKSTFUBICNMD-XHCCPWGMSA-N 1 0 507.631 4.216 50 0 KIAARO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000245328357 572234735 /nfs/dbraw/zinc/23/47/35/572234735.db2.gz NZBSVQLXLNPCKV-BWKNWUBXSA-N 1 0 533.555 4.146 50 0 KIAARO CCCN1C(=O)c2ccccc2[C@H](C(=O)NCC[C@H]2CCC[N@@H+]2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000245330649 572236457 /nfs/dbraw/zinc/23/64/57/572236457.db2.gz ZYVXIIDVLGZARP-RFLWCCGPSA-N 1 0 509.647 4.004 50 0 KIAARO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000245343239 572238146 /nfs/dbraw/zinc/23/81/46/572238146.db2.gz JHIRAXCFJFOOGW-LYZGTLIUSA-N 1 0 531.678 4.496 50 0 KIAARO CCOC(=O)C1=C(CN2CCN(c3cccc(C)c3)[C@@H](C)C2)NC(=O)N[C@H]1c1ccc(OC(C)C)cc1 ZINC000245380807 572240538 /nfs/dbraw/zinc/24/05/38/572240538.db2.gz NAHPWHYLRYWBOX-IDISGSTGSA-N 1 0 506.647 4.164 50 0 KIAARO O=C(NCc1ccccc1)[C@H](C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1CCCO1)Oc1ccccc1F ZINC000247482728 572242390 /nfs/dbraw/zinc/24/23/90/572242390.db2.gz JOXOQNAVSAONLI-LXFBAYGMSA-N 1 0 506.574 4.299 50 0 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KIAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000247974448 572251200 /nfs/dbraw/zinc/25/12/00/572251200.db2.gz FEICYTABMQPRHY-NRFANRHFSA-N 1 0 508.066 4.467 50 0 KIAARO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000247974452 572251335 /nfs/dbraw/zinc/25/13/35/572251335.db2.gz FEICYTABMQPRHY-OAQYLSRUSA-N 1 0 508.066 4.467 50 0 KIAARO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000248009632 572252200 /nfs/dbraw/zinc/25/22/00/572252200.db2.gz IFXSNTKCMZRWRX-DHIUTWEWSA-N 1 0 525.621 4.047 50 0 KIAARO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2F)noc1N1CCOCC1)C[C@H]1CCCO1 ZINC000248009636 572252231 /nfs/dbraw/zinc/25/22/31/572252231.db2.gz IFXSNTKCMZRWRX-XZOQPEGZSA-N 1 0 525.621 4.047 50 0 KIAARO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000248022227 572252668 /nfs/dbraw/zinc/25/26/68/572252668.db2.gz JXZISSSXNLCWIC-IBGZPJMESA-N 1 0 514.457 4.077 50 0 KIAARO 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/nfs/dbraw/zinc/26/25/85/572262585.db2.gz HFAOQNPXYHYLQK-PZGXJGMVSA-N 1 0 628.770 4.444 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252584472 572263861 /nfs/dbraw/zinc/26/38/61/572263861.db2.gz AQBBVQDWUMTMJM-JGIGPRROSA-N 1 0 580.795 4.211 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252584473 572263857 /nfs/dbraw/zinc/26/38/57/572263857.db2.gz AQBBVQDWUMTMJM-VPRQCTCLSA-N 1 0 580.795 4.211 50 0 KIAARO CC[C@@H]1CCCC[N@@H+]1CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252584474 572263852 /nfs/dbraw/zinc/26/38/52/572263852.db2.gz AQBBVQDWUMTMJM-WSVLPMKKSA-N 1 0 580.795 4.211 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252584534 572263965 /nfs/dbraw/zinc/26/39/65/572263965.db2.gz AVZOEHVBBRTTCC-DZBNSXFVSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584535 572263971 /nfs/dbraw/zinc/26/39/71/572263971.db2.gz AVZOEHVBBRTTCC-FBAVTCSVSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584536 572263952 /nfs/dbraw/zinc/26/39/52/572263952.db2.gz AVZOEHVBBRTTCC-FQCPYFGVSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584537 572263959 /nfs/dbraw/zinc/26/39/59/572263959.db2.gz AVZOEHVBBRTTCC-JFIJJVSDSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252584553 572263961 /nfs/dbraw/zinc/26/39/61/572263961.db2.gz BBAPFHPSQRJMQD-DZBNSXFVSA-N 1 0 582.811 4.170 50 0 KIAARO CCCC[N@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252584554 572263974 /nfs/dbraw/zinc/26/39/74/572263974.db2.gz BBAPFHPSQRJMQD-FBAVTCSVSA-N 1 0 582.811 4.170 50 0 KIAARO CCCC[N@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252584555 572263955 /nfs/dbraw/zinc/26/39/55/572263955.db2.gz BBAPFHPSQRJMQD-FQCPYFGVSA-N 1 0 582.811 4.170 50 0 KIAARO CCCC[N@H+](C)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(SC)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252584556 572263949 /nfs/dbraw/zinc/26/39/49/572263949.db2.gz BBAPFHPSQRJMQD-JFIJJVSDSA-N 1 0 582.811 4.170 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252585332 572264526 /nfs/dbraw/zinc/26/45/26/572264526.db2.gz HUJDOYWRMJZJBK-DZBNSXFVSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252585333 572264540 /nfs/dbraw/zinc/26/45/40/572264540.db2.gz HUJDOYWRMJZJBK-FBAVTCSVSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252585334 572264528 /nfs/dbraw/zinc/26/45/28/572264528.db2.gz HUJDOYWRMJZJBK-FQCPYFGVSA-N 1 0 585.189 4.492 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252585335 572264508 /nfs/dbraw/zinc/26/45/08/572264508.db2.gz HUJDOYWRMJZJBK-JFIJJVSDSA-N 1 0 585.189 4.492 50 0 KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585533 572264692 /nfs/dbraw/zinc/26/46/92/572264692.db2.gz JEFXBZJBOFRCTM-LBULEFPHSA-N 1 0 591.152 4.400 50 0 KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585534 572264711 /nfs/dbraw/zinc/26/47/11/572264711.db2.gz JEFXBZJBOFRCTM-QGTBSMAUSA-N 1 0 591.152 4.400 50 0 KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585999 572265092 /nfs/dbraw/zinc/26/50/92/572265092.db2.gz MUBWPBGYQQLPMB-LBULEFPHSA-N 1 0 591.152 4.400 50 0 KIAARO C[N@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586000 572265104 /nfs/dbraw/zinc/26/51/04/572265104.db2.gz MUBWPBGYQQLPMB-QGTBSMAUSA-N 1 0 591.152 4.400 50 0 KIAARO C[N@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586315 572265337 /nfs/dbraw/zinc/26/53/37/572265337.db2.gz PDYMRDSGTMGWTR-GATIYVRASA-N 1 0 577.125 4.010 50 0 KIAARO C[N@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586316 572265323 /nfs/dbraw/zinc/26/53/23/572265323.db2.gz PDYMRDSGTMGWTR-RAGMKYMYSA-N 1 0 577.125 4.010 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252586472 572265391 /nfs/dbraw/zinc/26/53/91/572265391.db2.gz QGTPYAFXZQQBLP-BFDLQSRTSA-N 1 0 601.586 4.109 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252586473 572265383 /nfs/dbraw/zinc/26/53/83/572265383.db2.gz QGTPYAFXZQQBLP-JHBWFYOTSA-N 1 0 601.586 4.109 50 0 KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252586768 572265663 /nfs/dbraw/zinc/26/56/63/572265663.db2.gz SJZIOIGOVVYPSE-IFBKVWNHSA-N 1 0 564.771 4.182 50 0 KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252586769 572265654 /nfs/dbraw/zinc/26/56/54/572265654.db2.gz SJZIOIGOVVYPSE-LKXZCJLHSA-N 1 0 564.771 4.182 50 0 KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252586770 572265656 /nfs/dbraw/zinc/26/56/56/572265656.db2.gz SJZIOIGOVVYPSE-VYTMLQIFSA-N 1 0 564.771 4.182 50 0 KIAARO CC[NH+](CC)CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252586771 572265651 /nfs/dbraw/zinc/26/56/51/572265651.db2.gz SJZIOIGOVVYPSE-YUQCNNNTSA-N 1 0 564.771 4.182 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252586825 572265735 /nfs/dbraw/zinc/26/57/35/572265735.db2.gz SYVUIKRHYXTUEG-FIYUGZQASA-N 1 0 578.798 4.455 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252586826 572265726 /nfs/dbraw/zinc/26/57/26/572265726.db2.gz SYVUIKRHYXTUEG-IDZHWOMUSA-N 1 0 578.798 4.455 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000252586827 572265737 /nfs/dbraw/zinc/26/57/37/572265737.db2.gz SYVUIKRHYXTUEG-OJVZJPQASA-N 1 0 578.798 4.455 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(C)cc(C)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252586828 572265724 /nfs/dbraw/zinc/26/57/24/572265724.db2.gz SYVUIKRHYXTUEG-ROYUKQTRSA-N 1 0 578.798 4.455 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252586926 572265799 /nfs/dbraw/zinc/26/57/99/572265799.db2.gz UMVRXOKSMAWCGK-UHASXDTDSA-N 1 0 571.162 4.308 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252586927 572265781 /nfs/dbraw/zinc/26/57/81/572265781.db2.gz UMVRXOKSMAWCGK-YTXSASNOSA-N 1 0 571.162 4.308 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000252587416 572266171 /nfs/dbraw/zinc/26/61/71/572266171.db2.gz YCLKNZOVNSFVBS-CWPHAVIXSA-N 1 0 646.660 4.051 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000252587417 572266175 /nfs/dbraw/zinc/26/61/75/572266175.db2.gz YCLKNZOVNSFVBS-GARWBGNXSA-N 1 0 646.660 4.051 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000252587418 572266151 /nfs/dbraw/zinc/26/61/51/572266151.db2.gz YCLKNZOVNSFVBS-JAYFQMPYSA-N 1 0 646.660 4.051 50 0 KIAARO CC[NH+]1CCN(CCCN2C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]3(O4)[C@@H]2C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000252587419 572266145 /nfs/dbraw/zinc/26/61/45/572266145.db2.gz YCLKNZOVNSFVBS-NFFHTTNPSA-N 1 0 646.660 4.051 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 ZINC000252587567 572266341 /nfs/dbraw/zinc/26/63/41/572266341.db2.gz ZGRFVVVGILZLPQ-BFDLQSRTSA-N 1 0 557.135 4.000 50 0 KIAARO CCCC[N@H+](C)CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 ZINC000252587568 572266328 /nfs/dbraw/zinc/26/63/28/572266328.db2.gz ZGRFVVVGILZLPQ-JHBWFYOTSA-N 1 0 557.135 4.000 50 0 KIAARO COc1cccc(C(=O)N2CCN(C(=O)CC[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)c1 ZINC000253388957 572283181 /nfs/dbraw/zinc/28/31/81/572283181.db2.gz FHLPMLUUPLLEOI-LYZGTLIUSA-N 1 0 503.668 4.467 50 0 KIAARO C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389003 572283204 /nfs/dbraw/zinc/28/32/04/572283204.db2.gz UPJJZDPKNMGYGX-PIIWDFAUSA-N 1 0 517.651 4.188 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389004 572283113 /nfs/dbraw/zinc/28/31/13/572283113.db2.gz UPJJZDPKNMGYGX-WTYVLRPYSA-N 1 0 517.651 4.188 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc2c(c1)OCO2 ZINC000253389007 572283168 /nfs/dbraw/zinc/28/31/68/572283168.db2.gz VGEXOGXIAHRGMT-HMILPKGGSA-N 1 0 535.641 4.327 50 0 KIAARO C[C@H]1CN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1 ZINC000253389011 572283122 /nfs/dbraw/zinc/28/31/22/572283122.db2.gz WLWFIFVPRGEBMO-CCLHPLFOSA-N 1 0 527.687 4.146 50 0 KIAARO O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000253389253 572283275 /nfs/dbraw/zinc/28/32/75/572283275.db2.gz DALJTDYHJZCCME-PNIUZAESSA-N 1 0 503.643 4.309 50 0 KIAARO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253397391 572284336 /nfs/dbraw/zinc/28/43/36/572284336.db2.gz BKGZYNQIJBLPCU-UUOWRZLLSA-N 1 0 594.753 4.089 50 0 KIAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 ZINC000253405495 572286225 /nfs/dbraw/zinc/28/62/25/572286225.db2.gz IIFNIWBDRVWYBE-WMZHIEFXSA-N 1 0 508.659 4.487 50 0 KIAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000253406259 572286192 /nfs/dbraw/zinc/28/61/92/572286192.db2.gz IUKQBHVJNAILJM-DWJZLWSHSA-N 1 0 560.695 4.322 50 0 KIAARO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253406268 572286274 /nfs/dbraw/zinc/28/62/74/572286274.db2.gz IUKQBHVJNAILJM-UATYFYBVSA-N 1 0 560.695 4.322 50 0 KIAARO COc1cc(-n2cc(C(=O)N(C)C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc(OC)c1OC ZINC000253411099 572287522 /nfs/dbraw/zinc/28/75/22/572287522.db2.gz OEUOJKGINDTLAY-NBGIEHNGSA-N 1 0 519.642 4.353 50 0 KIAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000253412113 572287801 /nfs/dbraw/zinc/28/78/01/572287801.db2.gz PXMONAWJWHQDRQ-PBQRSMNISA-N 1 0 608.780 4.290 50 0 KIAARO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000253412114 572287854 /nfs/dbraw/zinc/28/78/54/572287854.db2.gz PXMONAWJWHQDRQ-SZYXXZQDSA-N 1 0 608.780 4.290 50 0 KIAARO COc1cc(-n2cc(C(=O)NC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c3ccccc3c2=O)cc(OC)c1OC ZINC000253413840 572288686 /nfs/dbraw/zinc/28/86/86/572288686.db2.gz VUVOIHLTKVXSAA-YADARESESA-N 1 0 505.615 4.011 50 0 KIAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2nn(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1 ZINC000261491659 572110430 /nfs/dbraw/zinc/11/04/30/572110430.db2.gz BJLQQIFBLAJFCQ-UHFFFAOYSA-N 1 0 516.454 4.280 50 0 KIAARO Fc1ccccc1Cn1nc(C[NH2+]CCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261491722 572110321 /nfs/dbraw/zinc/11/03/21/572110321.db2.gz FPWCSAYOMWUFRU-UHFFFAOYSA-N 1 0 500.607 4.380 50 0 KIAARO Fc1ccc(Cn2nc(C[NH2+]CCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000261492603 572110816 /nfs/dbraw/zinc/11/08/16/572110816.db2.gz PZHXHXLXMSBIHX-UHFFFAOYSA-N 1 0 500.607 4.380 50 0 KIAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2nn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 ZINC000261492607 572111033 /nfs/dbraw/zinc/11/10/33/572111033.db2.gz QTAOQPOLJCOJNS-UHFFFAOYSA-N 1 0 516.454 4.280 50 0 KIAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2nn(Cc3c(Cl)cccc3Cl)nc2-c2ccccc2)cc1 ZINC000261492618 572110733 /nfs/dbraw/zinc/11/07/33/572110733.db2.gz UAPFBWQYMCXBOD-UHFFFAOYSA-N 1 0 516.454 4.280 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000263585359 572118022 /nfs/dbraw/zinc/11/80/22/572118022.db2.gz HTVSEEYRDMQEOO-SWWRHANQSA-N 1 0 604.748 4.338 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000263585360 572118194 /nfs/dbraw/zinc/11/81/94/572118194.db2.gz HTVSEEYRDMQEOO-YSGOPFFRSA-N 1 0 604.748 4.338 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263585715 572119690 /nfs/dbraw/zinc/11/96/90/572119690.db2.gz LOPBFDPNHJCGBR-AVUDXFIYSA-N 1 0 519.686 4.345 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263585716 572119857 /nfs/dbraw/zinc/11/98/57/572119857.db2.gz LOPBFDPNHJCGBR-GXBVYBDKSA-N 1 0 519.686 4.345 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc(OC)cc1 ZINC000263585717 572119760 /nfs/dbraw/zinc/11/97/60/572119760.db2.gz LOPBFDPNHJCGBR-QHGKVXFQSA-N 1 0 519.686 4.345 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(OC)cc1 ZINC000263585718 572119739 /nfs/dbraw/zinc/11/97/39/572119739.db2.gz LOPBFDPNHJCGBR-QLPLNKDJSA-N 1 0 519.686 4.345 50 0 KIAARO CCCCN(C)C(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000299755223 572134074 /nfs/dbraw/zinc/13/40/74/572134074.db2.gz BQSQWCPHHAVNQZ-RRPNLBNLSA-N 1 0 507.723 4.142 50 0 KIAARO Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000299762970 572135075 /nfs/dbraw/zinc/13/50/75/572135075.db2.gz FHXYENRZSGAVQR-NRFANRHFSA-N 1 0 507.654 4.189 50 0 KIAARO Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH+](C)CC1 ZINC000299762973 572134951 /nfs/dbraw/zinc/13/49/51/572134951.db2.gz FHXYENRZSGAVQR-OAQYLSRUSA-N 1 0 507.654 4.189 50 0 KIAARO COC(=O)CC[C@H]1CN(Cc2ccc(O)cc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000299765483 572135641 /nfs/dbraw/zinc/13/56/41/572135641.db2.gz BHTVIZDSSKOLJE-SQJMNOBHSA-N 1 0 505.581 4.377 50 0 KIAARO COc1ccc(N2C(=O)c3cccc(N4CCC(C(=O)N5CC[NH+](C6CCCCC6)CC5)CC4)c3C2=O)cc1OC ZINC000299780921 572136554 /nfs/dbraw/zinc/13/65/54/572136554.db2.gz AONMZESWGJRIDF-UHFFFAOYSA-N 1 0 560.695 4.198 50 0 KIAARO COc1cccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)NCc3ccncc3)C2)c1OC ZINC000299781082 572136242 /nfs/dbraw/zinc/13/62/42/572136242.db2.gz KYIKMJHNGGNWFN-LITSAYRRSA-N 1 0 575.729 4.347 50 0 KIAARO CSc1ccc2cc(C[NH2+]CCCN3CCCC3=O)c(=O)n(Cc3cc4c(cc3Cl)OCO4)c2c1 ZINC000299786029 572137209 /nfs/dbraw/zinc/13/72/09/572137209.db2.gz MQIGVLQFBNEXCN-UHFFFAOYSA-N 1 0 514.047 4.256 50 0 KIAARO CCOc1cc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4OC)CC3)[C@@H](CCC(=O)OC)C2)ccc1OC ZINC000299795061 572137306 /nfs/dbraw/zinc/13/73/06/572137306.db2.gz MCNLATGAGRBMJU-LOSJGSFVSA-N 1 0 525.690 4.068 50 0 KIAARO C[N@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299795088 572137419 /nfs/dbraw/zinc/13/74/19/572137419.db2.gz JRCRSQSBVSXRIG-UHFFFAOYSA-N 1 0 548.684 4.391 50 0 KIAARO C[N@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299795914 572137239 /nfs/dbraw/zinc/13/72/39/572137239.db2.gz MKRSAWADCHIXSU-UHFFFAOYSA-N 1 0 548.684 4.391 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2 ZINC000409414358 1064284035 /nfs/dbraw/zinc/28/40/35/1064284035.db2.gz PLZPTKABIIGFOY-JTHBVZDNSA-N 1 0 526.674 4.323 50 0 KIAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000409414508 1064284117 /nfs/dbraw/zinc/28/41/17/1064284117.db2.gz LIIFPWGGLYQIHO-HWUUJZMBSA-N 1 0 504.675 4.383 50 0 KIAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CN1C(=O)c2ccccc2N[C@H]1c1ccccc1 ZINC000409414511 1064277242 /nfs/dbraw/zinc/27/72/42/1064277242.db2.gz LIIFPWGGLYQIHO-WIDNXDAUSA-N 1 0 504.675 4.383 50 0 KIAARO COCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)c1cn(-c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccccc12 ZINC000409414894 1064277668 /nfs/dbraw/zinc/27/76/68/1064277668.db2.gz YCQKKPBBHIYBQH-WXVAWEFUSA-N 1 0 563.695 4.370 50 0 KIAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000524730325 1064281855 /nfs/dbraw/zinc/28/18/55/1064281855.db2.gz FLAJGKSDCYFXCO-SWWRHANQSA-N 1 0 604.748 4.338 50 0 KIAARO COCCCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000524730326 1064281328 /nfs/dbraw/zinc/28/13/28/1064281328.db2.gz FLAJGKSDCYFXCO-YSGOPFFRSA-N 1 0 604.748 4.338 50 0 KIAARO CC1(C)CCc2c(cc(OCC(=O)NCC[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000524731399 1064282600 /nfs/dbraw/zinc/28/26/00/1064282600.db2.gz WAIMMCUQGJJXCA-VWNXMTODSA-N 1 0 595.696 4.340 50 0 KIAARO